smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](C(=O)Nc1sccc1-c1nnn[n-]1)c1ccc2ccccc2c1 ZINC000819877629 945306077 /nfs/dbraw/zinc/30/60/77/945306077.db2.gz ZGTJFRNKXTZHLL-NSHDSACASA-N -1 3 349.419 3.824 20 0 EHADHM C[C@H](C(=O)Nc1sccc1-c1nn[n-]n1)c1ccc2ccccc2c1 ZINC000819877629 945306087 /nfs/dbraw/zinc/30/60/87/945306087.db2.gz ZGTJFRNKXTZHLL-NSHDSACASA-N -1 3 349.419 3.824 20 0 EHADHM C[C@H]1CN(c2c(-c3nnn[n-]3)cnc3ccccc32)Cc2ccccc21 ZINC000736289118 944787546 /nfs/dbraw/zinc/78/75/46/944787546.db2.gz JQNDDHFXVWBJOD-ZDUSSCGKSA-N -1 3 342.406 3.539 20 0 EHADHM C[C@H]1CN(c2c(-c3nn[n-]n3)cnc3ccccc32)Cc2ccccc21 ZINC000736289118 944787554 /nfs/dbraw/zinc/78/75/54/944787554.db2.gz JQNDDHFXVWBJOD-ZDUSSCGKSA-N -1 3 342.406 3.539 20 0 EHADHM FC(F)(F)CCc1cccc(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822718237 946164110 /nfs/dbraw/zinc/16/41/10/946164110.db2.gz DJPOARVJKLZLRP-UHFFFAOYSA-N -1 3 347.344 3.974 20 0 EHADHM FC(F)(F)CCc1cccc(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822718237 946164115 /nfs/dbraw/zinc/16/41/15/946164115.db2.gz DJPOARVJKLZLRP-UHFFFAOYSA-N -1 3 347.344 3.974 20 0 EHADHM CC(=O)c1ccc(-c2nnn[n-]2)c(N[C@H](C)c2ccccc2Cl)c1 ZINC000824014411 946547832 /nfs/dbraw/zinc/54/78/32/946547832.db2.gz IFJHEANFNOAKLS-SNVBAGLBSA-N -1 3 341.802 3.896 20 0 EHADHM CC(=O)c1ccc(-c2nn[n-]n2)c(N[C@H](C)c2ccccc2Cl)c1 ZINC000824014411 946547838 /nfs/dbraw/zinc/54/78/38/946547838.db2.gz IFJHEANFNOAKLS-SNVBAGLBSA-N -1 3 341.802 3.896 20 0 EHADHM CC(C)c1nc([C@H](C)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824358849 946670198 /nfs/dbraw/zinc/67/01/98/946670198.db2.gz QOUUAHCZTMAVFW-RYUDHWBXSA-N -1 3 342.472 3.858 20 0 EHADHM C1=C[C@H](CCCNc2ncc(-c3nnn[n-]3)c3ccsc32)CC1 ZINC001573292060 946927670 /nfs/dbraw/zinc/92/76/70/946927670.db2.gz NPDXKQNWLFCPHC-NSHDSACASA-N -1 3 326.429 3.635 20 0 EHADHM C1=C[C@H](CCCNc2ncc(-c3nn[n-]n3)c3ccsc32)CC1 ZINC001573292060 946927676 /nfs/dbraw/zinc/92/76/76/946927676.db2.gz NPDXKQNWLFCPHC-NSHDSACASA-N -1 3 326.429 3.635 20 0 EHADHM CCCCC[C@@H](CC)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825267688 947137996 /nfs/dbraw/zinc/13/79/96/947137996.db2.gz LTRVFOBKDKUGRJ-GFCCVEGCSA-N -1 3 333.411 3.575 20 0 EHADHM CCCCC[C@@H](CC)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825267688 947138002 /nfs/dbraw/zinc/13/80/02/947138002.db2.gz LTRVFOBKDKUGRJ-GFCCVEGCSA-N -1 3 333.411 3.575 20 0 EHADHM CC(=CC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC001573361632 947693360 /nfs/dbraw/zinc/69/33/60/947693360.db2.gz CZJQGDOHBBCEJM-NLYDNYMLSA-N -1 3 340.408 3.636 20 0 EHADHM CC(=CC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC001573361632 947693368 /nfs/dbraw/zinc/69/33/68/947693368.db2.gz CZJQGDOHBBCEJM-NLYDNYMLSA-N -1 3 340.408 3.636 20 0 EHADHM Cc1ccnc(N[C@H](C)c2csc3ccccc23)c1-c1nnn[n-]1 ZINC000826311676 947902540 /nfs/dbraw/zinc/90/25/40/947902540.db2.gz KTDNMYBQUFGRMQ-LLVKDONJSA-N -1 3 336.424 3.958 20 0 EHADHM Cc1ccnc(N[C@H](C)c2csc3ccccc23)c1-c1nn[n-]n1 ZINC000826311676 947902543 /nfs/dbraw/zinc/90/25/43/947902543.db2.gz KTDNMYBQUFGRMQ-LLVKDONJSA-N -1 3 336.424 3.958 20 0 EHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001540505595 948550836 /nfs/dbraw/zinc/55/08/36/948550836.db2.gz LUNIITJMZZVIBZ-QZTJIDSGSA-N -1 3 347.422 3.779 20 0 EHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001540505595 948550842 /nfs/dbraw/zinc/55/08/42/948550842.db2.gz LUNIITJMZZVIBZ-QZTJIDSGSA-N -1 3 347.422 3.779 20 0 EHADHM O=C([O-])c1ccccc1C1CCN(Cc2cnc3ccccc3n2)CC1 ZINC001595254017 949573437 /nfs/dbraw/zinc/57/34/37/949573437.db2.gz PLYHRMKZBHGVOS-UHFFFAOYSA-N -1 3 347.418 3.708 20 0 EHADHM Cc1sc(CN2CCC[C@@H](CC(=O)[O-])C2)cc1Br ZINC000227977612 949613674 /nfs/dbraw/zinc/61/36/74/949613674.db2.gz QFPJFOFLRUSQBN-JTQLQIEISA-N -1 3 332.263 3.506 20 0 EHADHM Cc1cc(Br)c(CN(CC(=O)[O-])C(C)C)cc1Cl ZINC000263501236 950493414 /nfs/dbraw/zinc/49/34/14/950493414.db2.gz KVXLZWKQHIOOQQ-UHFFFAOYSA-N -1 3 334.641 3.706 20 0 EHADHM C[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)CC(C)(C)C ZINC001574520671 950741549 /nfs/dbraw/zinc/74/15/49/950741549.db2.gz WQNCXSCUYFYROH-SNVBAGLBSA-N -1 3 335.839 3.921 20 0 EHADHM C[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)CC(C)(C)C ZINC001574520671 950741562 /nfs/dbraw/zinc/74/15/62/950741562.db2.gz WQNCXSCUYFYROH-SNVBAGLBSA-N -1 3 335.839 3.921 20 0 EHADHM CC(C)Oc1cccc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1 ZINC000325733888 951091299 /nfs/dbraw/zinc/09/12/99/951091299.db2.gz FEENKERPYKMGTH-IBGZPJMESA-N -1 3 325.408 3.658 20 0 EHADHM C[C@H](NCc1nc(-c2cc(Cl)ccc2Cl)cs1)C(=O)[O-] ZINC000340671614 951131156 /nfs/dbraw/zinc/13/11/56/951131156.db2.gz DPIHVQCJNAPKCH-ZETCQYMHSA-N -1 3 331.224 3.680 20 0 EHADHM C[C@@H](c1ccccc1Br)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000388957009 951342215 /nfs/dbraw/zinc/34/22/15/951342215.db2.gz ZVLNHDYNIUJBCE-WOPDTQHZSA-N -1 3 326.234 3.553 20 0 EHADHM C[C@@H](c1ccccc1Br)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000564968555 953606877 /nfs/dbraw/zinc/60/68/77/953606877.db2.gz XWSSMWYHMJQXJM-NTZNESFSSA-N -1 3 326.234 3.553 20 0 EHADHM O=C([O-])[C@H]1CN(CCSCc2ccccc2)Cc2ccccc21 ZINC000593743632 953755029 /nfs/dbraw/zinc/75/50/29/953755029.db2.gz GKMLRUKZVVJPHX-SFHVURJKSA-N -1 3 327.449 3.604 20 0 EHADHM C[C@@]1(C(=O)[O-])CCCN(Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000390987606 972311125 /nfs/dbraw/zinc/31/11/25/972311125.db2.gz GXCPTSMVDXVLFZ-QGZVFWFLSA-N -1 3 334.803 3.682 20 0 EHADHM CCN(Cc1cc(Cl)ccc1Br)C(C)(C)C(=O)[O-] ZINC000090252740 958095707 /nfs/dbraw/zinc/09/57/07/958095707.db2.gz KJKQMDJKIYHLEC-UHFFFAOYSA-N -1 3 334.641 3.788 20 0 EHADHM C[C@@](NCc1cc(Br)cs1)(C(=O)[O-])c1ccccc1 ZINC001262156709 960787067 /nfs/dbraw/zinc/78/70/67/960787067.db2.gz AYXSIRWXZCBNPS-AWEZNQCLSA-N -1 3 340.242 3.600 20 0 EHADHM CC[C@]1(C(=O)[O-])CCCN([C@@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000923468955 969651743 /nfs/dbraw/zinc/65/17/43/969651743.db2.gz RMELKXRNTRFYPH-LIRRHRJNSA-N -1 3 343.427 3.683 20 0 EHADHM COc1ccc2oc(CN3Cc4ccccc4[C@H](C(=O)[O-])C3)cc2c1 ZINC001604854475 974093717 /nfs/dbraw/zinc/09/37/17/974093717.db2.gz AAKXPPGTOULJSX-GOSISDBHSA-N -1 3 337.375 3.625 20 0 EHADHM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1ccc(Br)cc1 ZINC000530175063 974363655 /nfs/dbraw/zinc/36/36/55/974363655.db2.gz CPVQKKVZBUHFCQ-QWRGUYRKSA-N -1 3 326.234 3.523 20 0 EHADHM O=C([O-])c1cccc2c1CCN(CCSCc1ccccc1)C2 ZINC000569238026 974686552 /nfs/dbraw/zinc/68/65/52/974686552.db2.gz ODFLWLURGIVEAO-UHFFFAOYSA-N -1 3 327.449 3.676 20 0 EHADHM C[C@H]1CCN(Cc2cc(Cl)ccc2OCC2CC2)[C@@H](C(=O)[O-])C1 ZINC000569935226 974701994 /nfs/dbraw/zinc/70/19/94/974701994.db2.gz JZJOUCMKLGZDQT-BLLLJJGKSA-N -1 3 337.847 3.814 20 0 EHADHM C[C@H]1CCN(Cc2cc(Cl)ccc2OCC2CC2)[C@H](C(=O)[O-])C1 ZINC000569935227 974702180 /nfs/dbraw/zinc/70/21/80/974702180.db2.gz JZJOUCMKLGZDQT-LRDDRELGSA-N -1 3 337.847 3.814 20 0 EHADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@H](c2c(F)cccc2F)C1 ZINC000579484770 974877033 /nfs/dbraw/zinc/87/70/33/974877033.db2.gz UOJNNNOWXWQWCP-NSHDSACASA-N -1 3 335.350 3.808 20 0 EHADHM CC(C)CCCN1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC000579724894 974881991 /nfs/dbraw/zinc/88/19/91/974881991.db2.gz UVMCXRJTZSSXBS-HNNXBMFYSA-N -1 3 340.261 3.697 20 0 EHADHM CCCN(CC(=O)[O-])Cc1ccc(SCC)cc1Br ZINC000629359970 975081952 /nfs/dbraw/zinc/08/19/52/975081952.db2.gz FPGBOZQDIHZNKL-UHFFFAOYSA-N -1 3 346.290 3.858 20 0 EHADHM O=C([O-])[C@@H]1CCN(Cc2ncc(-c3cccc(F)c3)o2)[C@H]2CCC[C@H]21 ZINC000629373315 975087232 /nfs/dbraw/zinc/08/72/32/975087232.db2.gz HVXMSADLIUSYGM-XHSDSOJGSA-N -1 3 344.386 3.556 20 0 EHADHM O=C([O-])c1ccc(NC[C@@H](c2cccc(Cl)c2)N2CCCC2)nc1 ZINC000647445712 975359543 /nfs/dbraw/zinc/35/95/43/975359543.db2.gz OGMPZORASCHCHY-INIZCTEOSA-N -1 3 345.830 3.682 20 0 EHADHM CC(C)O[C@@H]1C[C@H](NCc2cccc(C(=O)[O-])c2Cl)C1(C)C ZINC001591696041 975529011 /nfs/dbraw/zinc/52/90/11/975529011.db2.gz NGLMYZHQJSXJKZ-UONOGXRCSA-N -1 3 325.836 3.720 20 0 EHADHM O=C([O-])c1coc(CN2CCC3(CCc4ccccc4C3)CC2)c1 ZINC000652431413 975530915 /nfs/dbraw/zinc/53/09/15/975530915.db2.gz NMXIBVCZXASEPA-UHFFFAOYSA-N -1 3 325.408 3.749 20 0 EHADHM O=C([O-])c1ccccc1OCCN(Cc1ccccc1F)CC1CC1 ZINC000656765670 975698732 /nfs/dbraw/zinc/69/87/32/975698732.db2.gz MVZOGCYKERRLJY-UHFFFAOYSA-N -1 3 343.398 3.815 20 0 EHADHM Cc1ccc2nccc(N3C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C3)c2c1 ZINC000656781796 975705663 /nfs/dbraw/zinc/70/56/63/975705663.db2.gz MHSCNFFOFAFIGC-NEPJUHHUSA-N -1 3 338.329 3.633 20 0 EHADHM CCO[C@H](C)c1ncc(C(=O)Nc2c([O-])cccc2Cl)s1 ZINC000579730683 1014312218 /nfs/dbraw/zinc/31/22/18/1014312218.db2.gz DZGPBCJENJBBOI-MRVPVSSYSA-N -1 3 326.805 3.852 20 0 EHADHM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)N=c2cc3ccccn3[n-]2)C1 ZINC000579749990 1014369872 /nfs/dbraw/zinc/36/98/72/1014369872.db2.gz QUBXNHMCRXLHOP-SUMWQHHRSA-N -1 3 338.386 3.510 20 0 EHADHM COc1cc(C)c([C@H](C)N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1OC ZINC000737866950 978452200 /nfs/dbraw/zinc/45/22/00/978452200.db2.gz GCHWBWGAAWGLLA-SGTLLEGYSA-N -1 3 347.386 3.628 20 0 EHADHM C[C@H]1CN(Cc2csc(-c3ccc(Cl)cc3)n2)C[C@H]1C(=O)[O-] ZINC000828465893 978984148 /nfs/dbraw/zinc/98/41/48/978984148.db2.gz YPCHDFDQKNJXOW-IINYFYTJSA-N -1 3 336.844 3.616 20 0 EHADHM COc1cc(OC)cc([C@@H](C(=O)[O-])N(C)Cc2cccc(Cl)c2)c1 ZINC000832041461 979037995 /nfs/dbraw/zinc/03/79/95/979037995.db2.gz SZMMEPLLWAUJIV-KRWDZBQOSA-N -1 3 349.814 3.615 20 0 EHADHM CCC(CC)(CN[C@H](C)c1nnc(-c2cccc(C)c2)o1)C(=O)[O-] ZINC001595078114 979361147 /nfs/dbraw/zinc/36/11/47/979361147.db2.gz ZMIRISYNPGJMOR-CYBMUJFWSA-N -1 3 331.416 3.587 20 0 EHADHM C[C@H](CC(C)(C)CC(=O)[O-])N[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000901453118 980293943 /nfs/dbraw/zinc/29/39/43/980293943.db2.gz CLXGAEWOTAHIHU-FZKQIMNGSA-N -1 3 347.434 3.518 20 0 EHADHM CC[C@@H](NCc1ccc(N(CC)CC)nc1)c1ccc(C(=O)[O-])cc1 ZINC001595301052 980436887 /nfs/dbraw/zinc/43/68/87/980436887.db2.gz VYPSEXUEXTVTQQ-GOSISDBHSA-N -1 3 341.455 3.867 20 0 EHADHM CC[C@H](O)CN(Cc1cc(C(=O)[O-])sc1C)Cc1ccccc1 ZINC001595330606 980567211 /nfs/dbraw/zinc/56/72/11/980567211.db2.gz VSMYGCAZQGJJIL-INIZCTEOSA-N -1 3 333.453 3.528 20 0 EHADHM O=C([O-])/C=C/c1ccc(CNCC2(Sc3ccccc3)CC2)o1 ZINC000902251676 980798701 /nfs/dbraw/zinc/79/87/01/980798701.db2.gz ZVPQTCSSYPJNFH-CMDGGOBGSA-N -1 3 329.421 3.792 20 0 EHADHM C[C@H](Oc1ccc(CN[C@@H]2CCCc3ccc(F)cc32)cc1)C(=O)[O-] ZINC000902443482 980889889 /nfs/dbraw/zinc/88/98/89/980889889.db2.gz HDZQEMUVNMPYOD-ORAYPTAESA-N -1 3 343.398 3.845 20 0 EHADHM Cc1oc(CN[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000902502670 980912219 /nfs/dbraw/zinc/91/22/19/980912219.db2.gz GCINCQVXZLVMPO-SJORKVTESA-N -1 3 349.814 3.950 20 0 EHADHM CC1(C)CN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)[C@@H]2COC[C@@H]21 ZINC000902534841 980926496 /nfs/dbraw/zinc/92/64/96/980926496.db2.gz ULZAWCBIRYSNOH-DLBZAZTESA-N -1 3 341.407 3.502 20 0 EHADHM O=C([O-])c1cc(CN2CCC[C@@H](c3nc4c(s3)CCC4)C2)cs1 ZINC000902564064 980933668 /nfs/dbraw/zinc/93/36/68/980933668.db2.gz UWBAXTNGIYIDCM-GFCCVEGCSA-N -1 3 348.493 3.771 20 0 EHADHM O=C([O-])c1ccc(Br)c(CN2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000903889524 981022184 /nfs/dbraw/zinc/02/21/84/981022184.db2.gz NJHHOLFCAFRDRS-NHYWBVRUSA-N -1 3 338.245 3.912 20 0 EHADHM C[C@@]1(Cc2ccc(F)c(F)c2)CCCN1Cc1cncc(C(=O)[O-])c1 ZINC000903911637 981034020 /nfs/dbraw/zinc/03/40/20/981034020.db2.gz LDNJCCZAZZISGD-IBGZPJMESA-N -1 3 346.377 3.655 20 0 EHADHM O=C([O-])[C@H]1c2ccccc2OCCN1CCSC1CCCCC1 ZINC000903930976 981051748 /nfs/dbraw/zinc/05/17/48/981051748.db2.gz LRQSGKNTABFKDB-QGZVFWFLSA-N -1 3 335.469 3.573 20 0 EHADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(OC)c(Cl)c2)cc1 ZINC000683171610 1014729175 /nfs/dbraw/zinc/72/91/75/1014729175.db2.gz NEOBXDWNJIMPJI-INIZCTEOSA-N -1 3 349.814 3.663 20 0 EHADHM CCCC[C@H](NCc1cncc(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC001595641170 981966268 /nfs/dbraw/zinc/96/62/68/981966268.db2.gz SMNYQTAWEVZBSC-SFHVURJKSA-N -1 3 328.412 3.810 20 0 EHADHM CCOc1ccc(CN[C@@](C)(C(=O)[O-])c2ccccc2)cc1OCC ZINC001119535222 982981170 /nfs/dbraw/zinc/98/11/70/982981170.db2.gz YBCZTJPYZZBMKF-HXUWFJFHSA-N -1 3 343.423 3.574 20 0 EHADHM CCOc1ccc(CN[C@](C)(C(=O)[O-])c2ccccc2)cc1OCC ZINC001119535221 982981336 /nfs/dbraw/zinc/98/13/36/982981336.db2.gz YBCZTJPYZZBMKF-FQEVSTJZSA-N -1 3 343.423 3.574 20 0 EHADHM C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[S@](=O)c1ccc([O-])cc1 ZINC000108082971 1014930071 /nfs/dbraw/zinc/93/00/71/1014930071.db2.gz PWZPRSPGBRCTKZ-YEBMWUKDSA-N -1 3 345.464 3.825 20 0 EHADHM COc1cccc(-c2nc(C[S@@](=O)c3ccc([O-])cc3)cs2)c1 ZINC000108084459 1014934958 /nfs/dbraw/zinc/93/49/58/1014934958.db2.gz CZTQMIKXUDKUKM-QHCPKHFHSA-N -1 3 345.445 3.832 20 0 EHADHM CC(=O)Nc1cccc([C@@H](C)N[C@H](C)c2cc(C(=O)[O-])cs2)c1 ZINC001589205228 985668557 /nfs/dbraw/zinc/66/85/57/985668557.db2.gz JPJHMLFOKMBRSB-GHMZBOCLSA-N -1 3 332.425 3.817 20 0 EHADHM Cc1c(Br)cccc1CNCc1ccc(C(=O)[O-])cc1 ZINC001599972034 986022790 /nfs/dbraw/zinc/02/27/90/986022790.db2.gz DFJSKMLWLWHAAV-UHFFFAOYSA-N -1 3 334.213 3.746 20 0 EHADHM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1Cc1ccc2cc[nH]c2c1 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1131638265 /nfs/dbraw/zinc/63/82/65/1131638265.db2.gz GJOKSMJBHUPGEP-UHFFFAOYSA-N -1 3 347.469 3.949 20 0 EHADHM CCCCCSc1nc2ccc(NC(=O)c3c[n-]nn3)cc2s1 ZINC000741706521 1131638268 /nfs/dbraw/zinc/63/82/68/1131638268.db2.gz GJOKSMJBHUPGEP-UHFFFAOYSA-N -1 3 347.469 3.949 20 0 EHADHM CCCCCSc1nc2ccc(NC(=O)c3cn[n-]n3)cc2s1 ZINC000741706521 1131638272 /nfs/dbraw/zinc/63/82/72/1131638272.db2.gz GJOKSMJBHUPGEP-UHFFFAOYSA-N -1 3 347.469 3.949 20 0 EHADHM CCn1nc(C)c(C(=O)[N-]c2nc(-c3ccccc3)ns2)c1Cl ZINC000741907826 1131666749 /nfs/dbraw/zinc/66/67/49/1131666749.db2.gz WILAIWUMRKXIJN-UHFFFAOYSA-N -1 3 347.831 3.636 20 0 EHADHM COc1cc(C=Cc2nccc(=O)[n-]2)ccc1OCc1ccccc1 ZINC000742220506 1131698216 /nfs/dbraw/zinc/69/82/16/1131698216.db2.gz OTLDUZZBYZCXIO-NTMALXAHSA-N -1 3 334.375 3.940 20 0 EHADHM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C)c1 ZINC000743047966 1131843402 /nfs/dbraw/zinc/84/34/02/1131843402.db2.gz RNOSJPKYMVBFMR-UHFFFAOYSA-N -1 3 344.480 3.993 20 0 EHADHM 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ZINC000864503926 1137230262 /nfs/dbraw/zinc/23/02/62/1137230262.db2.gz KOOOXBFFBOTQLN-NEPJUHHUSA-N -1 3 343.265 3.522 20 0 EHADHM COc1ccc(CN[C@H](CC(=O)[O-])c2ccncc2)cc1C(C)(C)C ZINC000864516836 1137231629 /nfs/dbraw/zinc/23/16/29/1137231629.db2.gz RFZUQHRWIQAAET-QGZVFWFLSA-N -1 3 342.439 3.693 20 0 EHADHM CCc1ccccc1[C@H](CC(=O)[O-])NCc1ccc(OC)c(OC)c1 ZINC000864527787 1137232665 /nfs/dbraw/zinc/23/26/65/1137232665.db2.gz IOEHRGDKCHEVEI-KRWDZBQOSA-N -1 3 343.423 3.572 20 0 EHADHM CCCCc1nnc([N-]C(=O)c2cc3c(ccnc3Cl)o2)s1 ZINC000864968964 1137255505 /nfs/dbraw/zinc/25/55/05/1137255505.db2.gz FRACISBUKNFIIJ-UHFFFAOYSA-N -1 3 336.804 3.928 20 0 EHADHM O=C(Cc1ccc([O-])c(F)c1)NCCc1c[nH]c2cccc(Cl)c12 ZINC001144636960 1137321632 /nfs/dbraw/zinc/32/16/32/1137321632.db2.gz ZCECWZNIZZMMGW-UHFFFAOYSA-N -1 3 346.789 3.567 20 0 EHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001144653625 1137323151 /nfs/dbraw/zinc/32/31/51/1137323151.db2.gz PTDMZZCKJFKEPS-HAQNSBGRSA-N -1 3 337.391 3.719 20 0 EHADHM O=C([O-])c1ccsc1CN1CCC(Oc2ccc(F)cc2)CC1 ZINC001144677872 1137327872 /nfs/dbraw/zinc/32/78/72/1137327872.db2.gz GAKLPNPMYBUCRN-UHFFFAOYSA-N -1 3 335.400 3.629 20 0 EHADHM Cc1cc(F)ccc1CN(C)CCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC000846253211 1137344121 /nfs/dbraw/zinc/34/41/21/1137344121.db2.gz FORMLIFZJFAYEN-BJMVGYQFSA-N -1 3 343.398 3.743 20 0 EHADHM CC(C)(C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(C)(F)F ZINC000867788126 1137386243 /nfs/dbraw/zinc/38/62/43/1137386243.db2.gz TUZRBTPLMYFATI-UHFFFAOYSA-N -1 3 345.333 3.665 20 0 EHADHM CC(=O)c1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)cc1[O-] ZINC001147581284 1137409551 /nfs/dbraw/zinc/40/95/51/1137409551.db2.gz QIHHDAWTBUGZIP-GOEBONIOSA-N -1 3 329.783 3.534 20 0 EHADHM CCCc1nc2ccc(NC(=O)c3cccc(OC)c3[O-])cc2o1 ZINC001148202000 1137420479 /nfs/dbraw/zinc/42/04/79/1137420479.db2.gz JQNCEPZDTROINM-UHFFFAOYSA-N -1 3 326.352 3.747 20 0 EHADHM O=C(Nc1ncc([O-])cc1Br)c1cc(Cl)ccc1F ZINC001148421194 1137424800 /nfs/dbraw/zinc/42/48/00/1137424800.db2.gz 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1137565108 /nfs/dbraw/zinc/56/51/08/1137565108.db2.gz LEZFGXOHQGPMMB-SNVBAGLBSA-N -1 3 341.329 3.992 20 0 EHADHM COC(=O)CC[C@@H](N[C@@H](C)c1cccc([O-])c1F)c1ccccc1 ZINC000872047829 1137567707 /nfs/dbraw/zinc/56/77/07/1137567707.db2.gz VUUJBRRZCSGNSG-XJKSGUPXSA-N -1 3 331.387 3.876 20 0 EHADHM C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1cccc([O-])c1F ZINC000872059817 1137568807 /nfs/dbraw/zinc/56/88/07/1137568807.db2.gz LGOTXPIXBOBNRG-MCIONIFRSA-N -1 3 345.418 3.713 20 0 EHADHM O=C([O-])c1csc(CN2CCC(Oc3cccc(F)c3)CC2)c1 ZINC000872160295 1137574403 /nfs/dbraw/zinc/57/44/03/1137574403.db2.gz COPPHGQIVCUYOR-UHFFFAOYSA-N -1 3 335.400 3.629 20 0 EHADHM [O-]c1ccccc1-c1nnc(CN2CCC(c3ccccc3)CC2)o1 ZINC000877916797 1137695626 /nfs/dbraw/zinc/69/56/26/1137695626.db2.gz MYRBZKPRCOPUKN-UHFFFAOYSA-N -1 3 335.407 3.822 20 0 EHADHM Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc([O-])cc2)c(Cl)c1 ZINC000022474963 1137700739 /nfs/dbraw/zinc/70/07/39/1137700739.db2.gz KMRUBALLZCUQIT-NSHDSACASA-N -1 3 333.771 3.538 20 0 EHADHM CCc1cccc(C(=O)N2CC(Cc3ccc(Cl)cc3)C2)c1[O-] ZINC001137129907 1137709110 /nfs/dbraw/zinc/70/91/10/1137709110.db2.gz XCDFDDILCNVFOG-UHFFFAOYSA-N -1 3 329.827 3.923 20 0 EHADHM CC(C)(C)[C@H](NCc1nnc(-c2ccccc2[O-])o1)C(F)(F)F ZINC000878377546 1137713471 /nfs/dbraw/zinc/71/34/71/1137713471.db2.gz DMIHDJMLOXMWDK-ZDUSSCGKSA-N -1 3 329.322 3.509 20 0 EHADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1nnc(-c2ccccc2[O-])o1 ZINC000878391296 1137714025 /nfs/dbraw/zinc/71/40/25/1137714025.db2.gz CYRLYEPNTLJCDL-MNOVXSKESA-N -1 3 341.333 3.605 20 0 EHADHM C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1nnc(-c2ccccc2[O-])o1 ZINC000878391298 1137714115 /nfs/dbraw/zinc/71/41/15/1137714115.db2.gz CYRLYEPNTLJCDL-WDEREUQCSA-N -1 3 341.333 3.605 20 0 EHADHM COc1ccccc1N(Cc1nnc(-c2ccccc2[O-])o1)C(C)C ZINC000878633688 1137723192 /nfs/dbraw/zinc/72/31/92/1137723192.db2.gz USYWYEIRYQTJFS-UHFFFAOYSA-N -1 3 339.395 3.866 20 0 EHADHM COc1ccc(CCC(=O)[N-]OCC[C@@H]2CCCC2(F)F)cc1 ZINC000883043555 1137842521 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CC[C@@H](N[C@H](C)c1nc(C)cc(=O)[n-]1)c1ccccc1OC(F)F ZINC000192726413 1140546453 /nfs/dbraw/zinc/54/64/53/1140546453.db2.gz PSYFPQDGFWVBGI-DGCLKSJQSA-N -1 3 337.370 3.894 20 0 EHADHM Cc1ccc(C(=O)Nc2cccc(N3CCOC3=O)c2C)c([O-])c1C ZINC000266576129 1140704189 /nfs/dbraw/zinc/70/41/89/1140704189.db2.gz YVLHTELLCBTIIZ-UHFFFAOYSA-N -1 3 340.379 3.526 20 0 EHADHM COc1cc(C(=O)N[C@H](c2ccc(C)cc2)C2CC2)cc(OC)c1[O-] ZINC000269934012 1141159388 /nfs/dbraw/zinc/15/93/88/1141159388.db2.gz LQXNVUNVAWAZOE-GOSISDBHSA-N -1 3 341.407 3.599 20 0 EHADHM CCN(C(=O)c1ccc(C)c(C)c1[O-])c1ccc(OC)c(OC)c1 ZINC000271279979 1141337582 /nfs/dbraw/zinc/33/75/82/1141337582.db2.gz QFQKLQWPNNTVMN-UHFFFAOYSA-N -1 3 329.396 3.693 20 0 EHADHM C[C@]1(CNC(=O)c2cc(=O)c3ccccc3[n-]2)CCCc2ccccc21 ZINC000271676045 1141416784 /nfs/dbraw/zinc/41/67/84/1141416784.db2.gz BUPHTPZBWYFDTM-JOCHJYFZSA-N -1 3 346.430 3.964 20 0 EHADHM Cc1ccc(-c2nc(-c3cccc(CN4CCCC4=O)c3)no2)c([O-])c1 ZINC000273929114 1141447859 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Fc1cc(-c2nnn[n-]2)cc(F)c1NCCc1cc2ccccc2o1 ZINC000737639833 598854518 /nfs/dbraw/zinc/85/45/18/598854518.db2.gz TYZWETBALZSXKY-UHFFFAOYSA-N -1 3 341.321 3.546 20 0 EHADHM Fc1cc(-c2nn[n-]n2)cc(F)c1NCCc1cc2ccccc2o1 ZINC000737639833 598854520 /nfs/dbraw/zinc/85/45/20/598854520.db2.gz TYZWETBALZSXKY-UHFFFAOYSA-N -1 3 341.321 3.546 20 0 EHADHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000566591002 598910084 /nfs/dbraw/zinc/91/00/84/598910084.db2.gz OHFINDNDUZSDJK-ZWKOTPCHSA-N -1 3 347.422 3.732 20 0 EHADHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000566591002 598910086 /nfs/dbraw/zinc/91/00/86/598910086.db2.gz OHFINDNDUZSDJK-ZWKOTPCHSA-N -1 3 347.422 3.732 20 0 EHADHM Clc1ccc(CSc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737575477 598935534 /nfs/dbraw/zinc/93/55/34/598935534.db2.gz KSHIEXXQQZBXTI-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM Clc1ccc(CSc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737575477 598935535 /nfs/dbraw/zinc/93/55/35/598935535.db2.gz KSHIEXXQQZBXTI-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM Cc1c(NCc2cnc(-c3ccccc3)s2)cccc1-c1nnn[n-]1 ZINC000822121327 607256729 /nfs/dbraw/zinc/25/67/29/607256729.db2.gz DSSPADIGGDNQTP-UHFFFAOYSA-N -1 3 348.435 3.911 20 0 EHADHM Cc1c(NCc2cnc(-c3ccccc3)s2)cccc1-c1nn[n-]n1 ZINC000822121327 607256730 /nfs/dbraw/zinc/25/67/30/607256730.db2.gz DSSPADIGGDNQTP-UHFFFAOYSA-N -1 3 348.435 3.911 20 0 EHADHM C[C@@H](CNc1cc(Cl)ccc1-c1nnn[n-]1)Oc1cccc(F)c1 ZINC000820274871 599058902 /nfs/dbraw/zinc/05/89/02/599058902.db2.gz LFDWERVOQDEDSB-JTQLQIEISA-N -1 3 347.781 3.539 20 0 EHADHM C[C@@H](CNc1cc(Cl)ccc1-c1nn[n-]n1)Oc1cccc(F)c1 ZINC000820274871 599058905 /nfs/dbraw/zinc/05/89/05/599058905.db2.gz LFDWERVOQDEDSB-JTQLQIEISA-N -1 3 347.781 3.539 20 0 EHADHM Cc1cccc([C@@H](C)Nc2c(F)cc(-c3nnn[n-]3)cc2F)c1C ZINC000737390294 599066730 /nfs/dbraw/zinc/06/67/30/599066730.db2.gz SEKOVAHULWQQNY-LLVKDONJSA-N -1 3 329.354 3.935 20 0 EHADHM Cc1cccc([C@@H](C)Nc2c(F)cc(-c3nn[n-]n3)cc2F)c1C ZINC000737390294 599066733 /nfs/dbraw/zinc/06/67/33/599066733.db2.gz SEKOVAHULWQQNY-LLVKDONJSA-N -1 3 329.354 3.935 20 0 EHADHM C[C@@H](CNc1c(Cl)cccc1-c1nnn[n-]1)Oc1ccc(F)cc1 ZINC000820275319 599069642 /nfs/dbraw/zinc/06/96/42/599069642.db2.gz OTJWRTZDTJRFIM-JTQLQIEISA-N -1 3 347.781 3.539 20 0 EHADHM C[C@@H](CNc1c(Cl)cccc1-c1nn[n-]n1)Oc1ccc(F)cc1 ZINC000820275319 599069644 /nfs/dbraw/zinc/06/96/44/599069644.db2.gz OTJWRTZDTJRFIM-JTQLQIEISA-N -1 3 347.781 3.539 20 0 EHADHM CS[C@@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000821950139 599073363 /nfs/dbraw/zinc/07/33/63/599073363.db2.gz LBMSSCMMNOOUOJ-PSASIEDQSA-N -1 3 343.378 3.582 20 0 EHADHM CS[C@@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000821950139 599073368 /nfs/dbraw/zinc/07/33/68/599073368.db2.gz LBMSSCMMNOOUOJ-PSASIEDQSA-N -1 3 343.378 3.582 20 0 EHADHM O=C([O-])c1ccc(CNCc2cnc(-c3cccs3)s2)cc1 ZINC000426698941 596923853 /nfs/dbraw/zinc/92/38/53/596923853.db2.gz CYTWCYJGADPYHG-UHFFFAOYSA-N -1 3 330.434 3.860 20 0 EHADHM C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820698334 599246887 /nfs/dbraw/zinc/24/68/87/599246887.db2.gz SXADXZDVDOQLRJ-GHMZBOCLSA-N -1 3 348.838 3.563 20 0 EHADHM C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820698334 599246890 /nfs/dbraw/zinc/24/68/90/599246890.db2.gz SXADXZDVDOQLRJ-GHMZBOCLSA-N -1 3 348.838 3.563 20 0 EHADHM C[C@@H]1CCC[C@H](C)N(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820698335 599247150 /nfs/dbraw/zinc/24/71/50/599247150.db2.gz SXADXZDVDOQLRJ-MNOVXSKESA-N -1 3 348.838 3.563 20 0 EHADHM C[C@@H]1CCC[C@H](C)N(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820698335 599247151 /nfs/dbraw/zinc/24/71/51/599247151.db2.gz SXADXZDVDOQLRJ-MNOVXSKESA-N -1 3 348.838 3.563 20 0 EHADHM CCC[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1ccccc1 ZINC000821008680 607293976 /nfs/dbraw/zinc/29/39/76/607293976.db2.gz JTSJOEPETFVXKW-MRXNPFEDSA-N -1 3 335.411 3.698 20 0 EHADHM CCC[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1ccccc1 ZINC000821008680 607293977 /nfs/dbraw/zinc/29/39/77/607293977.db2.gz JTSJOEPETFVXKW-MRXNPFEDSA-N -1 3 335.411 3.698 20 0 EHADHM Cc1c(NC(=O)[C@H](C)c2ccc(Cl)s2)cccc1-c1nnn[n-]1 ZINC000822061677 607295881 /nfs/dbraw/zinc/29/58/81/607295881.db2.gz USIAADNOKNOYHF-SECBINFHSA-N -1 3 347.831 3.632 20 0 EHADHM Cc1c(NC(=O)[C@H](C)c2ccc(Cl)s2)cccc1-c1nn[n-]n1 ZINC000822061677 607295882 /nfs/dbraw/zinc/29/58/82/607295882.db2.gz USIAADNOKNOYHF-SECBINFHSA-N -1 3 347.831 3.632 20 0 EHADHM Cc1c(NCc2ccc(-c3nnn[n-]3)s2)cccc1C(F)(F)F ZINC000822121220 607311742 /nfs/dbraw/zinc/31/17/42/607311742.db2.gz BPCKOXQTNTURDV-UHFFFAOYSA-N -1 3 339.346 3.868 20 0 EHADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000821034656 599271677 /nfs/dbraw/zinc/27/16/77/599271677.db2.gz QTBHJJOVJNHQCA-XJKSGUPXSA-N -1 3 342.447 3.608 20 0 EHADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000821034656 599271679 /nfs/dbraw/zinc/27/16/79/599271679.db2.gz QTBHJJOVJNHQCA-XJKSGUPXSA-N -1 3 342.447 3.608 20 0 EHADHM Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2)c2cccnc2c1C ZINC000822209656 607318719 /nfs/dbraw/zinc/31/87/19/607318719.db2.gz QTOLISXJRWCBCB-UHFFFAOYSA-N -1 3 330.395 3.644 20 0 EHADHM Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2)c2cccnc2c1C ZINC000822209656 607318720 /nfs/dbraw/zinc/31/87/20/607318720.db2.gz QTOLISXJRWCBCB-UHFFFAOYSA-N -1 3 330.395 3.644 20 0 EHADHM Fc1cccc2c1SCC[C@H]2Nc1ccc(-c2nn[n-]n2)cc1F ZINC000737641174 598238225 /nfs/dbraw/zinc/23/82/25/598238225.db2.gz UIGMXGATUXZPRZ-CYBMUJFWSA-N -1 3 345.378 3.794 20 0 EHADHM CCCCOc1cccc(CNc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736462434 598239384 /nfs/dbraw/zinc/23/93/84/598239384.db2.gz BIVXXZSPGMREKZ-UHFFFAOYSA-N -1 3 341.390 3.797 20 0 EHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCc1cccs1 ZINC000737625980 598274182 /nfs/dbraw/zinc/27/41/82/598274182.db2.gz FDXIXODMDMQSRE-UHFFFAOYSA-N -1 3 325.319 3.559 20 0 EHADHM Fc1ccc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000737647319 598274539 /nfs/dbraw/zinc/27/45/39/598274539.db2.gz BRAADAGAEWKPDW-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Fc1ccc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000737647319 598274541 /nfs/dbraw/zinc/27/45/41/598274541.db2.gz BRAADAGAEWKPDW-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCCc1cccs1 ZINC000737625639 598275953 /nfs/dbraw/zinc/27/59/53/598275953.db2.gz CTECWRMANAKRMM-UHFFFAOYSA-N -1 3 339.346 3.602 20 0 EHADHM Clc1ccc2c(c1)CC[C@@H]2Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737574882 598392825 /nfs/dbraw/zinc/39/28/25/598392825.db2.gz VPERUZNAZRQGFS-ZDUSSCGKSA-N -1 3 347.209 3.668 20 0 EHADHM Clc1ccc2c(c1)CC[C@@H]2Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737574882 598392827 /nfs/dbraw/zinc/39/28/27/598392827.db2.gz VPERUZNAZRQGFS-ZDUSSCGKSA-N -1 3 347.209 3.668 20 0 EHADHM Clc1ccc(CCCNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737576263 598393701 /nfs/dbraw/zinc/39/37/01/598393701.db2.gz OPUOFQZUBVSNQM-UHFFFAOYSA-N -1 3 349.225 3.613 20 0 EHADHM Clc1ccc(CCCNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737576263 598393702 /nfs/dbraw/zinc/39/37/02/598393702.db2.gz OPUOFQZUBVSNQM-UHFFFAOYSA-N -1 3 349.225 3.613 20 0 EHADHM Fc1cccc(N2CCC[C@H](c3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000737659917 598459298 /nfs/dbraw/zinc/45/92/98/598459298.db2.gz FQKCTMPBDJCPOM-HNNXBMFYSA-N -1 3 337.402 3.780 20 0 EHADHM Fc1cccc(N2CCC[C@H](c3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000737659917 598459299 /nfs/dbraw/zinc/45/92/99/598459299.db2.gz FQKCTMPBDJCPOM-HNNXBMFYSA-N -1 3 337.402 3.780 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H](c2ccccc2)CC1 ZINC000737640729 598459478 /nfs/dbraw/zinc/45/94/78/598459478.db2.gz NQCSGJHFWGSXBI-OAHLLOKOSA-N -1 3 337.402 3.780 20 0 EHADHM C[C@@H](OC(=O)c1ccc(C(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736158496 598482779 /nfs/dbraw/zinc/48/27/79/598482779.db2.gz QTFIRHOIVBQUIR-SNVBAGLBSA-N -1 3 344.321 3.722 20 0 EHADHM C[C@@H](OC(=O)c1ccc(C(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736158496 598482780 /nfs/dbraw/zinc/48/27/80/598482780.db2.gz QTFIRHOIVBQUIR-SNVBAGLBSA-N -1 3 344.321 3.722 20 0 EHADHM C[C@H](OC(=O)c1ccc(F)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000736157719 598489083 /nfs/dbraw/zinc/48/90/83/598489083.db2.gz LJFGMBJBTBAEFY-VIFPVBQESA-N -1 3 346.749 3.577 20 0 EHADHM C[C@H](OC(=O)c1ccc(F)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000736157719 598489085 /nfs/dbraw/zinc/48/90/85/598489085.db2.gz LJFGMBJBTBAEFY-VIFPVBQESA-N -1 3 346.749 3.577 20 0 EHADHM CCCCCC[C@H](C)CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736448385 598495874 /nfs/dbraw/zinc/49/58/74/598495874.db2.gz XUJVUVLZSISNFP-ZDUSSCGKSA-N -1 3 345.447 3.810 20 0 EHADHM CCCCCC[C@H](C)CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736448385 598495875 /nfs/dbraw/zinc/49/58/75/598495875.db2.gz XUJVUVLZSISNFP-ZDUSSCGKSA-N -1 3 345.447 3.810 20 0 EHADHM c1ccc(C2CCC(CNc3ncccc3-c3nnn[n-]3)CC2)cc1 ZINC000738427398 598504703 /nfs/dbraw/zinc/50/47/03/598504703.db2.gz HPKXNLUSOLDVBQ-UHFFFAOYSA-N -1 3 334.427 3.648 20 0 EHADHM c1ccc(C2CCC(CNc3ncccc3-c3nn[n-]n3)CC2)cc1 ZINC000738427398 598504705 /nfs/dbraw/zinc/50/47/05/598504705.db2.gz HPKXNLUSOLDVBQ-UHFFFAOYSA-N -1 3 334.427 3.648 20 0 EHADHM CCc1c(C)sc(NC(=O)C=C2CCCCC2)c1-c1nnn[n-]1 ZINC000736670757 598513928 /nfs/dbraw/zinc/51/39/28/598513928.db2.gz QMYAEROBTJZULZ-UHFFFAOYSA-N -1 3 331.445 3.628 20 0 EHADHM CCc1c(C)sc(NC(=O)C=C2CCCCC2)c1-c1nn[n-]n1 ZINC000736670757 598513929 /nfs/dbraw/zinc/51/39/29/598513929.db2.gz QMYAEROBTJZULZ-UHFFFAOYSA-N -1 3 331.445 3.628 20 0 EHADHM FC(F)(F)c1cc(N[C@@H]2CCc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737631010 598572367 /nfs/dbraw/zinc/57/23/67/598572367.db2.gz BAYPHTSFPLKRFU-OAHLLOKOSA-N -1 3 345.328 3.985 20 0 EHADHM FC(F)(F)c1cc(N[C@@H]2CCc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737631010 598572369 /nfs/dbraw/zinc/57/23/69/598572369.db2.gz BAYPHTSFPLKRFU-OAHLLOKOSA-N -1 3 345.328 3.985 20 0 EHADHM FC(F)Oc1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)cc1Cl ZINC000737638622 598582151 /nfs/dbraw/zinc/58/21/51/598582151.db2.gz HFYHPFRHKNOPLA-RJRFIUFISA-N -1 3 349.728 3.687 20 0 EHADHM FC(F)Oc1ccc(C=Cc2ccc(-c3nn[n-]n3)cn2)cc1Cl ZINC000737638622 598582153 /nfs/dbraw/zinc/58/21/53/598582153.db2.gz HFYHPFRHKNOPLA-RJRFIUFISA-N -1 3 349.728 3.687 20 0 EHADHM Fc1ccc(N[C@@H](c2ccccc2)c2ccccn2)c(-c2nnn[n-]2)c1 ZINC000737660271 598631069 /nfs/dbraw/zinc/63/10/69/598631069.db2.gz PMMMBANJHNXAMD-SFHVURJKSA-N -1 3 346.369 3.602 20 0 EHADHM Fc1ccc(N[C@@H](c2ccccc2)c2ccccn2)c(-c2nn[n-]n2)c1 ZINC000737660271 598631071 /nfs/dbraw/zinc/63/10/71/598631071.db2.gz PMMMBANJHNXAMD-SFHVURJKSA-N -1 3 346.369 3.602 20 0 EHADHM CCOc1ccc(SCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000736652440 598644335 /nfs/dbraw/zinc/64/43/35/598644335.db2.gz YIVQSTNJEQERSC-UHFFFAOYSA-N -1 3 330.388 3.697 20 0 EHADHM CCOc1ccc(SCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000736652440 598644337 /nfs/dbraw/zinc/64/43/37/598644337.db2.gz YIVQSTNJEQERSC-UHFFFAOYSA-N -1 3 330.388 3.697 20 0 EHADHM CC(C)[C@@H](CC(=O)Nc1sccc1-c1nnn[n-]1)c1ccccc1 ZINC000735708606 598646597 /nfs/dbraw/zinc/64/65/97/598646597.db2.gz MMAWZHOKGBXSDG-CQSZACIVSA-N -1 3 341.440 3.697 20 0 EHADHM CC(C)[C@@H](CC(=O)Nc1sccc1-c1nn[n-]n1)c1ccccc1 ZINC000735708606 598646599 /nfs/dbraw/zinc/64/65/99/598646599.db2.gz MMAWZHOKGBXSDG-CQSZACIVSA-N -1 3 341.440 3.697 20 0 EHADHM Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1Cl ZINC000737314774 598648979 /nfs/dbraw/zinc/64/89/79/598648979.db2.gz HFCQVCBVPJESKQ-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1Cl ZINC000737314774 598648980 /nfs/dbraw/zinc/64/89/80/598648980.db2.gz HFCQVCBVPJESKQ-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM C[C@@H](Nc1ccc(Cl)cc1-c1nnn[n-]1)c1nc2ccccc2[nH]1 ZINC000736138688 598794160 /nfs/dbraw/zinc/79/41/60/598794160.db2.gz NVOPPXHVVNRVBY-SECBINFHSA-N -1 3 339.790 3.570 20 0 EHADHM C[C@@H](Nc1ccc(Cl)cc1-c1nn[n-]n1)c1nc2ccccc2[nH]1 ZINC000736138688 598794161 /nfs/dbraw/zinc/79/41/61/598794161.db2.gz NVOPPXHVVNRVBY-SECBINFHSA-N -1 3 339.790 3.570 20 0 EHADHM Fc1ccc2c(c1)[C@H](Nc1cccc(F)c1-c1nnn[n-]1)CCS2 ZINC000737665611 598814831 /nfs/dbraw/zinc/81/48/31/598814831.db2.gz HWVUNTRKNQZMQK-GFCCVEGCSA-N -1 3 345.378 3.794 20 0 EHADHM Fc1ccc2c(c1)[C@H](Nc1cccc(F)c1-c1nn[n-]n1)CCS2 ZINC000737665611 598814832 /nfs/dbraw/zinc/81/48/32/598814832.db2.gz HWVUNTRKNQZMQK-GFCCVEGCSA-N -1 3 345.378 3.794 20 0 EHADHM C[C@H](c1ccc(-c2nnn[n-]2)cc1)N(Cc1ccccc1)CC(F)F ZINC000736194579 598818440 /nfs/dbraw/zinc/81/84/40/598818440.db2.gz BEYKGYOLZLQYFN-CYBMUJFWSA-N -1 3 343.381 3.695 20 0 EHADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N(Cc1ccccc1)CC(F)F ZINC000736194579 598818441 /nfs/dbraw/zinc/81/84/41/598818441.db2.gz BEYKGYOLZLQYFN-CYBMUJFWSA-N -1 3 343.381 3.695 20 0 EHADHM C[C@H](SCCOc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187865 599326126 /nfs/dbraw/zinc/32/61/26/599326126.db2.gz CTPHZEFCJQVGND-LBPRGKRZSA-N -1 3 344.415 3.879 20 0 EHADHM C[C@H](SCCOc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187865 599326128 /nfs/dbraw/zinc/32/61/28/599326128.db2.gz CTPHZEFCJQVGND-LBPRGKRZSA-N -1 3 344.415 3.879 20 0 EHADHM C[C@H](Nc1cccc(COCC2CC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820461812 599371912 /nfs/dbraw/zinc/37/19/12/599371912.db2.gz RDMJMVQHCIUWBI-AWEZNQCLSA-N -1 3 349.438 3.966 20 0 EHADHM C[C@H](Nc1cccc(COCC2CC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461812 599371915 /nfs/dbraw/zinc/37/19/15/599371915.db2.gz RDMJMVQHCIUWBI-AWEZNQCLSA-N -1 3 349.438 3.966 20 0 EHADHM Cc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1OC(F)F ZINC000822254318 599379289 /nfs/dbraw/zinc/37/92/89/599379289.db2.gz GXXWGSKLCYGRBO-LLVKDONJSA-N -1 3 345.353 3.950 20 0 EHADHM Cc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1OC(F)F ZINC000822254318 599379292 /nfs/dbraw/zinc/37/92/92/599379292.db2.gz GXXWGSKLCYGRBO-LLVKDONJSA-N -1 3 345.353 3.950 20 0 EHADHM C[C@H](Nc1cc(Cl)ccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000736140290 599394648 /nfs/dbraw/zinc/39/46/48/599394648.db2.gz SZGLMHDLPRVDJP-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@H](Nc1cc(Cl)ccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000736140290 599394651 /nfs/dbraw/zinc/39/46/51/599394651.db2.gz SZGLMHDLPRVDJP-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM Clc1ccc(-c2nnn[n-]2)c(N[C@H]2CSc3ccccc32)c1 ZINC000737570635 599441466 /nfs/dbraw/zinc/44/14/66/599441466.db2.gz JDTWQDNZHMYXEW-ZDUSSCGKSA-N -1 3 329.816 3.779 20 0 EHADHM Clc1ccc(-c2nn[n-]n2)c(N[C@H]2CSc3ccccc32)c1 ZINC000737570635 599441469 /nfs/dbraw/zinc/44/14/69/599441469.db2.gz JDTWQDNZHMYXEW-ZDUSSCGKSA-N -1 3 329.816 3.779 20 0 EHADHM c1ccc2c(c1)SC[C@H]2Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000738443585 599442450 /nfs/dbraw/zinc/44/24/50/599442450.db2.gz YHFZFNSXWRHEBK-OAHLLOKOSA-N -1 3 346.419 3.674 20 0 EHADHM c1ccc2c(c1)SC[C@H]2Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000738443585 599442453 /nfs/dbraw/zinc/44/24/53/599442453.db2.gz YHFZFNSXWRHEBK-OAHLLOKOSA-N -1 3 346.419 3.674 20 0 EHADHM CC(C)CCOC1CCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000820077054 599478537 /nfs/dbraw/zinc/47/85/37/599478537.db2.gz ZFZXAUVQDGGFDF-UHFFFAOYSA-N -1 3 349.866 3.552 20 0 EHADHM CC(C)CCOC1CCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000820077054 599478540 /nfs/dbraw/zinc/47/85/40/599478540.db2.gz ZFZXAUVQDGGFDF-UHFFFAOYSA-N -1 3 349.866 3.552 20 0 EHADHM Fc1ccc(NCc2cc3c(s2)CCCC3)c(-c2nnn[n-]2)c1 ZINC000822782894 599483688 /nfs/dbraw/zinc/48/36/88/599483688.db2.gz LCMNQMZDRNOLIU-UHFFFAOYSA-N -1 3 329.404 3.558 20 0 EHADHM Fc1ccc(NCc2cc3c(s2)CCCC3)c(-c2nn[n-]n2)c1 ZINC000822782894 599483689 /nfs/dbraw/zinc/48/36/89/599483689.db2.gz LCMNQMZDRNOLIU-UHFFFAOYSA-N -1 3 329.404 3.558 20 0 EHADHM Clc1cccc(-c2nnn[n-]2)c1N1CC[C@H](c2ccccc2)C1 ZINC000822582507 599503139 /nfs/dbraw/zinc/50/31/39/599503139.db2.gz VLWMLZVLVZVXPQ-ZDUSSCGKSA-N -1 3 325.803 3.514 20 0 EHADHM Clc1cccc(-c2nn[n-]n2)c1N1CC[C@H](c2ccccc2)C1 ZINC000822582507 599503140 /nfs/dbraw/zinc/50/31/40/599503140.db2.gz VLWMLZVLVZVXPQ-ZDUSSCGKSA-N -1 3 325.803 3.514 20 0 EHADHM CCCC[C@H](CC)CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821039159 599533901 /nfs/dbraw/zinc/53/39/01/599533901.db2.gz ARTAJHVSCPPPED-KBPBESRZSA-N -1 3 329.448 3.650 20 0 EHADHM CCCC[C@H](CC)CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821039159 599533904 /nfs/dbraw/zinc/53/39/04/599533904.db2.gz ARTAJHVSCPPPED-KBPBESRZSA-N -1 3 329.448 3.650 20 0 EHADHM C[C@H](NC(=O)CC/C=C/c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736103454 599542430 /nfs/dbraw/zinc/54/24/30/599542430.db2.gz WPRUJEBYASDVJU-BOSPYUDASA-N -1 3 347.422 3.538 20 0 EHADHM C[C@H](NC(=O)CC/C=C/c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736103454 599542432 /nfs/dbraw/zinc/54/24/32/599542432.db2.gz WPRUJEBYASDVJU-BOSPYUDASA-N -1 3 347.422 3.538 20 0 EHADHM Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2)ccc1Br ZINC000737281754 599560156 /nfs/dbraw/zinc/56/01/56/599560156.db2.gz YGXHNVYVFFBSHG-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2)ccc1Br ZINC000737281754 599560159 /nfs/dbraw/zinc/56/01/59/599560159.db2.gz YGXHNVYVFFBSHG-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM Clc1cc(N2CC[C@@H](Cc3ccccc3)C2)ccc1-c1nnn[n-]1 ZINC000822568639 599579943 /nfs/dbraw/zinc/57/99/43/599579943.db2.gz UUSFIUGDBQFORI-AWEZNQCLSA-N -1 3 339.830 3.589 20 0 EHADHM Clc1cc(N2CC[C@@H](Cc3ccccc3)C2)ccc1-c1nn[n-]n1 ZINC000822568639 599579944 /nfs/dbraw/zinc/57/99/44/599579944.db2.gz UUSFIUGDBQFORI-AWEZNQCLSA-N -1 3 339.830 3.589 20 0 EHADHM CCC(C)(C)CC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820847347 599689910 /nfs/dbraw/zinc/68/99/10/599689910.db2.gz BIESHCRFRFYKCQ-UHFFFAOYSA-N -1 3 341.337 3.650 20 0 EHADHM CCC(C)(C)CC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820847347 599689911 /nfs/dbraw/zinc/68/99/11/599689911.db2.gz BIESHCRFRFYKCQ-UHFFFAOYSA-N -1 3 341.337 3.650 20 0 EHADHM Cc1cc(CN[C@@H]2CCc3ccc(F)cc32)cc(C)c1OCC(=O)[O-] ZINC000738388579 600008570 /nfs/dbraw/zinc/00/85/70/600008570.db2.gz JKGRBVKUFFFHBK-GOSISDBHSA-N -1 3 343.398 3.683 20 0 EHADHM Cc1cc(CN[C@H]2CCc3ccc(F)cc32)cc(C)c1OCC(=O)[O-] ZINC000738388580 600008678 /nfs/dbraw/zinc/00/86/78/600008678.db2.gz JKGRBVKUFFFHBK-SFHVURJKSA-N -1 3 343.398 3.683 20 0 EHADHM CN(CCOc1ccc(C(F)(F)F)cc1)Cc1ccc(C(=O)[O-])o1 ZINC000574922313 600168345 /nfs/dbraw/zinc/16/83/45/600168345.db2.gz NBRDRSXMCMTBGS-UHFFFAOYSA-N -1 3 343.301 3.507 20 0 EHADHM Cc1cc(C)n([C@@H]2CCCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)C2)n1 ZINC000738371790 600408580 /nfs/dbraw/zinc/40/85/80/600408580.db2.gz ZSQGKFZKJKACKD-IAGOWNOFSA-N -1 3 347.846 3.616 20 0 EHADHM CCCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1OC ZINC000737032013 600422026 /nfs/dbraw/zinc/42/20/26/600422026.db2.gz VNEWSHBQFOVNSZ-GOSISDBHSA-N -1 3 347.386 3.539 20 0 EHADHM CCn1c(C)cc2c1CCC[C@@H]2N[C@@H](C(=O)[O-])c1ccccc1F ZINC000830412652 600994557 /nfs/dbraw/zinc/99/45/57/600994557.db2.gz XLIDKUYYAORBCA-FUHWJXTLSA-N -1 3 330.403 3.748 20 0 EHADHM O=C([O-])N1CCC[C@H](N[C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000833279262 601222911 /nfs/dbraw/zinc/22/29/11/601222911.db2.gz YUEWATDKCFAFDZ-ROUUACIJSA-N -1 3 328.387 3.647 20 0 EHADHM CN(c1ccccc1)C1CCN(Cc2ccsc2C(=O)[O-])CC1 ZINC000830888072 601810869 /nfs/dbraw/zinc/81/08/69/601810869.db2.gz DYOBPHAZPZPQAQ-UHFFFAOYSA-N -1 3 330.453 3.547 20 0 EHADHM CCOc1ccc(-c2nc(CN3CC[C@](C)(C(=O)[O-])C3)cs2)cc1 ZINC000263110046 601912113 /nfs/dbraw/zinc/91/21/13/601912113.db2.gz JORPATDNVFCIGR-SFHVURJKSA-N -1 3 346.452 3.505 20 0 EHADHM COc1ccc([C@@H]2CCCN2Cc2ccc(C(=O)[O-])s2)cc1OC ZINC000563278113 601954541 /nfs/dbraw/zinc/95/45/41/601954541.db2.gz OVKNBEUNRKXMAT-AWEZNQCLSA-N -1 3 347.436 3.801 20 0 EHADHM COCc1cccc(CSCc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC000826164459 607536066 /nfs/dbraw/zinc/53/60/66/607536066.db2.gz AYGBXKJGKFAYIM-UHFFFAOYSA-N -1 3 344.415 3.586 20 0 EHADHM COCc1cccc(CSCc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC000826164459 607536067 /nfs/dbraw/zinc/53/60/67/607536067.db2.gz AYGBXKJGKFAYIM-UHFFFAOYSA-N -1 3 344.415 3.586 20 0 EHADHM C[C@@H](CCC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000824402965 607540629 /nfs/dbraw/zinc/54/06/29/607540629.db2.gz ZKGYYMYNISRSHJ-LBPRGKRZSA-N -1 3 339.374 3.528 20 0 EHADHM C[C@@H](CCC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000824402965 607540631 /nfs/dbraw/zinc/54/06/31/607540631.db2.gz ZKGYYMYNISRSHJ-LBPRGKRZSA-N -1 3 339.374 3.528 20 0 EHADHM CC(C)Oc1cccc([C@@H](C)NCc2ccc(NC(=O)[O-])nc2)c1 ZINC000824418674 603536930 /nfs/dbraw/zinc/53/69/30/603536930.db2.gz PFLCUBACUZZMHV-CYBMUJFWSA-N -1 3 329.400 3.810 20 0 EHADHM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833547161 604544734 /nfs/dbraw/zinc/54/47/34/604544734.db2.gz QQMROUKKZCHNBG-SNVBAGLBSA-N -1 3 326.318 3.925 20 0 EHADHM O=C([O-])c1ccc(CN2CCC[C@@H](Nc3ccccc3)C2)cc1F ZINC000833313073 604800236 /nfs/dbraw/zinc/80/02/36/604800236.db2.gz NWHQDUQGYDVQFM-MRXNPFEDSA-N -1 3 328.387 3.600 20 0 EHADHM Cc1ccc(-c2nc(CN3CCC[C@@H](C(C)(C)C(=O)[O-])C3)co2)cc1 ZINC000326959110 604939853 /nfs/dbraw/zinc/93/98/53/604939853.db2.gz HUIZTMSZGXASCX-MRXNPFEDSA-N -1 3 342.439 3.973 20 0 EHADHM O=C([O-])C[C@H]1CCCN1Cn1c2ccc(Cl)cc2oc1=S ZINC000833211610 604976571 /nfs/dbraw/zinc/97/65/71/604976571.db2.gz MINXOSSFCLUTEG-SNVBAGLBSA-N -1 3 326.805 3.514 20 0 EHADHM CCc1cnccc1[C@@H](C)NCc1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000833672760 605013997 /nfs/dbraw/zinc/01/39/97/605013997.db2.gz DWWPGQWWNREAKV-OAHLLOKOSA-N -1 3 342.439 3.575 20 0 EHADHM C[C@]1(NCc2nnc(-c3ccccc3Cl)o2)CCCC[C@@H]1C(=O)[O-] ZINC000833571384 605071940 /nfs/dbraw/zinc/07/19/40/605071940.db2.gz XTVBXLFIPINNDE-PXAZEXFGSA-N -1 3 349.818 3.513 20 0 EHADHM C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000574644324 605073450 /nfs/dbraw/zinc/07/34/50/605073450.db2.gz FHJLUHHOOGLZJO-PIGZYNQJSA-N -1 3 334.803 3.853 20 0 EHADHM C[C@H](Oc1ccc(CNC2(c3cccc(Cl)c3)CC2)cc1)C(=O)[O-] ZINC000833538612 605108884 /nfs/dbraw/zinc/10/88/84/605108884.db2.gz DUOCKVJTIKWBBT-ZDUSSCGKSA-N -1 3 345.826 3.971 20 0 EHADHM COc1cccc([C@@H](C)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000829543327 605120013 /nfs/dbraw/zinc/12/00/13/605120013.db2.gz IFUGVJOHKFDFNZ-ZIAGYGMSSA-N -1 3 328.412 3.875 20 0 EHADHM Cc1nc(C)c([C@@H](C)N(C)CCOc2ccccc2C(=O)[O-])s1 ZINC000183935745 605209739 /nfs/dbraw/zinc/20/97/39/605209739.db2.gz FXVYILJDGLAIKW-GFCCVEGCSA-N -1 3 334.441 3.530 20 0 EHADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C[C@@H]1CC(C(=O)[O-])=C(C)O1 ZINC000833575720 605373390 /nfs/dbraw/zinc/37/33/90/605373390.db2.gz BXWFFQSEVGLNMK-AAEUAGOBSA-N -1 3 338.473 3.715 20 0 EHADHM O=C([O-])Nc1ccc2c(c1)CC[C@@H]2NCc1cnn(-c2ccccc2)c1 ZINC000834261709 605574180 /nfs/dbraw/zinc/57/41/80/605574180.db2.gz FCURTSPPBQFLEC-IBGZPJMESA-N -1 3 348.406 3.739 20 0 EHADHM O=C([O-])N(CC1CC1)C1CCN(Cc2cncc3ccccc32)CC1 ZINC000834062377 605612178 /nfs/dbraw/zinc/61/21/78/605612178.db2.gz IAXODJLJQATJIQ-UHFFFAOYSA-N -1 3 339.439 3.589 20 0 EHADHM Cc1cccc(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826299423 607832612 /nfs/dbraw/zinc/83/26/12/607832612.db2.gz DRQNPQGACWAKRX-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM COc1cccc2c1CC[C@@H]2N[C@H]1C[C@@H](NC(=O)[O-])c2ccccc21 ZINC000833890393 605801618 /nfs/dbraw/zinc/80/16/18/605801618.db2.gz AXPHMJRZHFZJHC-OKZBNKHCSA-N -1 3 338.407 3.726 20 0 EHADHM O=C([O-])c1ccc(F)c(CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000833780691 605845489 /nfs/dbraw/zinc/84/54/89/605845489.db2.gz AJUWOGDSBMTTPY-LIRRHRJNSA-N -1 3 343.398 3.781 20 0 EHADHM CC(C)[C@H](Nc1ccc(-c2nnn[n-]2)nc1)c1ccc(Cl)cc1 ZINC000820027021 606032847 /nfs/dbraw/zinc/03/28/47/606032847.db2.gz PMHXSEUGHWBCDO-HNNXBMFYSA-N -1 3 328.807 3.724 20 0 EHADHM CC(C)[C@H](Nc1ccc(-c2nn[n-]n2)nc1)c1ccc(Cl)cc1 ZINC000820027021 606032853 /nfs/dbraw/zinc/03/28/53/606032853.db2.gz PMHXSEUGHWBCDO-HNNXBMFYSA-N -1 3 328.807 3.724 20 0 EHADHM c1c2ccccc2oc1CNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000823802652 606047522 /nfs/dbraw/zinc/04/75/22/606047522.db2.gz WPZNNFRBJWJFBC-UHFFFAOYSA-N -1 3 342.362 3.773 20 0 EHADHM c1c2ccccc2oc1CNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000823802652 606047525 /nfs/dbraw/zinc/04/75/25/606047525.db2.gz WPZNNFRBJWJFBC-UHFFFAOYSA-N -1 3 342.362 3.773 20 0 EHADHM C[C@H](N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ncc(C(C)(C)C)o1 ZINC000820413431 606173365 /nfs/dbraw/zinc/17/33/65/606173365.db2.gz PVONXBZBMUQJTA-RYUDHWBXSA-N -1 3 340.431 3.564 20 0 EHADHM C[C@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ncc(C(C)(C)C)o1 ZINC000820413431 606173367 /nfs/dbraw/zinc/17/33/67/606173367.db2.gz PVONXBZBMUQJTA-RYUDHWBXSA-N -1 3 340.431 3.564 20 0 EHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccc(OC(F)F)cc1 ZINC000820455922 606448019 /nfs/dbraw/zinc/44/80/19/606448019.db2.gz OKXOAFSEAOHIAM-VIFPVBQESA-N -1 3 349.316 3.780 20 0 EHADHM CC(C)CN(C(=O)[C@@H](C)C1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081836 606537397 /nfs/dbraw/zinc/53/73/97/606537397.db2.gz XUOJEQIJMABDNE-AWEZNQCLSA-N -1 3 341.459 3.682 20 0 EHADHM CC(C)CN(C(=O)[C@@H](C)C1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081836 606537399 /nfs/dbraw/zinc/53/73/99/606537399.db2.gz XUOJEQIJMABDNE-AWEZNQCLSA-N -1 3 341.459 3.682 20 0 EHADHM Fc1ccccc1[C@@H](Nc1ncccc1-c1nnn[n-]1)C1CCCC1 ZINC000822792189 606734178 /nfs/dbraw/zinc/73/41/78/606734178.db2.gz QOPKBXLNWBTJDF-INIZCTEOSA-N -1 3 338.390 3.744 20 0 EHADHM Fc1ccccc1[C@@H](Nc1ncccc1-c1nn[n-]n1)C1CCCC1 ZINC000822792189 606734179 /nfs/dbraw/zinc/73/41/79/606734179.db2.gz QOPKBXLNWBTJDF-INIZCTEOSA-N -1 3 338.390 3.744 20 0 EHADHM COc1ccc(C)cc1CSc1cccc(F)c1-c1nnn[n-]1 ZINC000821782631 606946626 /nfs/dbraw/zinc/94/66/26/606946626.db2.gz ILWXVUKSWFLALH-UHFFFAOYSA-N -1 3 330.388 3.615 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1OCc1csc(C(C)(C)C)n1 ZINC000822221504 607029964 /nfs/dbraw/zinc/02/99/64/607029964.db2.gz RJCCJDRNMLFBOB-UHFFFAOYSA-N -1 3 329.429 3.508 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1OCc1csc(C(C)(C)C)n1 ZINC000822221504 607029966 /nfs/dbraw/zinc/02/99/66/607029966.db2.gz RJCCJDRNMLFBOB-UHFFFAOYSA-N -1 3 329.429 3.508 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]1CCC(C)C ZINC000822217475 607194367 /nfs/dbraw/zinc/19/43/67/607194367.db2.gz FOSPLIYSPZCQFZ-OAHLLOKOSA-N -1 3 342.447 3.608 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]1CCC(C)C ZINC000822217475 607194368 /nfs/dbraw/zinc/19/43/68/607194368.db2.gz FOSPLIYSPZCQFZ-OAHLLOKOSA-N -1 3 342.447 3.608 20 0 EHADHM CCC[C@@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821039522 607197167 /nfs/dbraw/zinc/19/71/67/607197167.db2.gz DAUDJOIAUQXWBV-LLVKDONJSA-N -1 3 348.838 3.564 20 0 EHADHM CCC[C@@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821039522 607197168 /nfs/dbraw/zinc/19/71/68/607197168.db2.gz DAUDJOIAUQXWBV-LLVKDONJSA-N -1 3 348.838 3.564 20 0 EHADHM CCC[C@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821039524 607197399 /nfs/dbraw/zinc/19/73/99/607197399.db2.gz DAUDJOIAUQXWBV-NSHDSACASA-N -1 3 348.838 3.564 20 0 EHADHM CCC[C@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821039524 607197400 /nfs/dbraw/zinc/19/74/00/607197400.db2.gz DAUDJOIAUQXWBV-NSHDSACASA-N -1 3 348.838 3.564 20 0 EHADHM CC[C@@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000820981769 607199224 /nfs/dbraw/zinc/19/92/24/607199224.db2.gz WXLMXJALJGTWHK-LLVKDONJSA-N -1 3 348.838 3.564 20 0 EHADHM CC[C@@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000820981769 607199225 /nfs/dbraw/zinc/19/92/25/607199225.db2.gz WXLMXJALJGTWHK-LLVKDONJSA-N -1 3 348.838 3.564 20 0 EHADHM CCc1cc(C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)oc1CC ZINC000821471234 607235577 /nfs/dbraw/zinc/23/55/77/607235577.db2.gz XGNJLRJHSHYVFI-UHFFFAOYSA-N -1 3 345.428 3.515 20 0 EHADHM CCc1cc(C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)oc1CC ZINC000821471234 607235578 /nfs/dbraw/zinc/23/55/78/607235578.db2.gz XGNJLRJHSHYVFI-UHFFFAOYSA-N -1 3 345.428 3.515 20 0 EHADHM Cc1cc(Cl)c(NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000826267648 607791836 /nfs/dbraw/zinc/79/18/36/607791836.db2.gz ONQPMRYWAABPJI-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1cc(Cl)c(NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000826267648 607791837 /nfs/dbraw/zinc/79/18/37/607791837.db2.gz ONQPMRYWAABPJI-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM COc1ccc(CSc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000826207984 607813338 /nfs/dbraw/zinc/81/33/38/607813338.db2.gz NHZKWITXMGPKSW-UHFFFAOYSA-N -1 3 332.816 3.821 20 0 EHADHM COc1ccc(CSc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000826207984 607813339 /nfs/dbraw/zinc/81/33/39/607813339.db2.gz NHZKWITXMGPKSW-UHFFFAOYSA-N -1 3 332.816 3.821 20 0 EHADHM CN(C(=O)CCC(C)(C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825818249 607829761 /nfs/dbraw/zinc/82/97/61/607829761.db2.gz YSMPIPYEEMZYFR-UHFFFAOYSA-N -1 3 349.438 3.588 20 0 EHADHM CN(C(=O)CCC(C)(C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825818249 607829762 /nfs/dbraw/zinc/82/97/62/607829762.db2.gz YSMPIPYEEMZYFR-UHFFFAOYSA-N -1 3 349.438 3.588 20 0 EHADHM Cc1cccc(NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826299423 607832611 /nfs/dbraw/zinc/83/26/11/607832611.db2.gz DRQNPQGACWAKRX-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000823944193 607999721 /nfs/dbraw/zinc/99/97/21/607999721.db2.gz ZTHGXNLCWNETHX-KHPPLWFESA-N -1 3 339.786 3.562 20 0 EHADHM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000823944193 607999722 /nfs/dbraw/zinc/99/97/22/607999722.db2.gz ZTHGXNLCWNETHX-KHPPLWFESA-N -1 3 339.786 3.562 20 0 EHADHM CC(C)(C)[C@H]1C[C@@H](Nc2c(Cl)cccc2-c2nnn[n-]2)CCO1 ZINC000824079003 608149906 /nfs/dbraw/zinc/14/99/06/608149906.db2.gz MAWJAMIGVGXBGE-GXFFZTMASA-N -1 3 335.839 3.526 20 0 EHADHM CC(C)(C)[C@H]1C[C@@H](Nc2c(Cl)cccc2-c2nn[n-]n2)CCO1 ZINC000824079003 608149907 /nfs/dbraw/zinc/14/99/07/608149907.db2.gz MAWJAMIGVGXBGE-GXFFZTMASA-N -1 3 335.839 3.526 20 0 EHADHM C[C@@H]1c2ccsc2CCN1c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825029206 608220984 /nfs/dbraw/zinc/22/09/84/608220984.db2.gz PAUWKWUPOJGLIS-LLVKDONJSA-N -1 3 348.435 3.600 20 0 EHADHM C[C@@H]1c2ccsc2CCN1c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825029206 608220986 /nfs/dbraw/zinc/22/09/86/608220986.db2.gz PAUWKWUPOJGLIS-LLVKDONJSA-N -1 3 348.435 3.600 20 0 EHADHM C[C@H]1c2ccsc2CCN1c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825029208 608221040 /nfs/dbraw/zinc/22/10/40/608221040.db2.gz PAUWKWUPOJGLIS-NSHDSACASA-N -1 3 348.435 3.600 20 0 EHADHM C[C@H]1c2ccsc2CCN1c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825029208 608221042 /nfs/dbraw/zinc/22/10/42/608221042.db2.gz PAUWKWUPOJGLIS-NSHDSACASA-N -1 3 348.435 3.600 20 0 EHADHM COc1cc(-c2nnn[n-]2)ccc1CNc1cccc2ccccc21 ZINC000826170580 608319229 /nfs/dbraw/zinc/31/92/29/608319229.db2.gz GPZWFLPSDZUSFT-UHFFFAOYSA-N -1 3 331.379 3.641 20 0 EHADHM COc1cc(-c2nn[n-]n2)ccc1CNc1cccc2ccccc21 ZINC000826170580 608319231 /nfs/dbraw/zinc/31/92/31/608319231.db2.gz GPZWFLPSDZUSFT-UHFFFAOYSA-N -1 3 331.379 3.641 20 0 EHADHM CCc1c(C)sc(NC(=O)c2csc(C)c2C)c1-c1nnn[n-]1 ZINC000825687977 608340851 /nfs/dbraw/zinc/34/08/51/608340851.db2.gz PGMYRLMUDHGSQG-UHFFFAOYSA-N -1 3 347.469 3.730 20 0 EHADHM CCc1c(C)sc(NC(=O)c2csc(C)c2C)c1-c1nn[n-]n1 ZINC000825687977 608340853 /nfs/dbraw/zinc/34/08/53/608340853.db2.gz PGMYRLMUDHGSQG-UHFFFAOYSA-N -1 3 347.469 3.730 20 0 EHADHM COc1ccc(CNc2cccc(SC)c2C)cc1-c1nnn[n-]1 ZINC000826203870 608390394 /nfs/dbraw/zinc/39/03/94/608390394.db2.gz JQDRSDNSBWLXRU-UHFFFAOYSA-N -1 3 341.440 3.518 20 0 EHADHM COc1ccc(CNc2cccc(SC)c2C)cc1-c1nn[n-]n1 ZINC000826203870 608390396 /nfs/dbraw/zinc/39/03/96/608390396.db2.gz JQDRSDNSBWLXRU-UHFFFAOYSA-N -1 3 341.440 3.518 20 0 EHADHM Fc1c(CN2CC[C@@H]2c2ccc(Cl)cc2)cccc1-c1nnn[n-]1 ZINC000826371237 608401788 /nfs/dbraw/zinc/40/17/88/608401788.db2.gz XSKSWJYOKMHENO-OAHLLOKOSA-N -1 3 343.793 3.606 20 0 EHADHM Fc1c(CN2CC[C@@H]2c2ccc(Cl)cc2)cccc1-c1nn[n-]n1 ZINC000826371237 608401790 /nfs/dbraw/zinc/40/17/90/608401790.db2.gz XSKSWJYOKMHENO-OAHLLOKOSA-N -1 3 343.793 3.606 20 0 EHADHM Cc1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)cc1Br ZINC000826285711 608473740 /nfs/dbraw/zinc/47/37/40/608473740.db2.gz HSHMLTOWKLWWQF-XQRVVYSFSA-N -1 3 342.200 3.503 20 0 EHADHM Cc1ccc(C=Cc2ccc(-c3nn[n-]n3)cn2)cc1Br ZINC000826285711 608473742 /nfs/dbraw/zinc/47/37/42/608473742.db2.gz HSHMLTOWKLWWQF-XQRVVYSFSA-N -1 3 342.200 3.503 20 0 EHADHM CC[C@H](OC(=O)c1sccc1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000825153737 608498155 /nfs/dbraw/zinc/49/81/55/608498155.db2.gz IYDUASUJZHEBRJ-ZDUSSCGKSA-N -1 3 328.397 3.545 20 0 EHADHM CC(C)C[C@H]1C[C@@H](Nc2c(Cl)cccc2-c2nnn[n-]2)CCO1 ZINC000824243039 609170483 /nfs/dbraw/zinc/17/04/83/609170483.db2.gz CVZWDSOXGVVXRU-RYUDHWBXSA-N -1 3 335.839 3.526 20 0 EHADHM CC(C)C[C@H]1C[C@@H](Nc2c(Cl)cccc2-c2nn[n-]n2)CCO1 ZINC000824243039 609170484 /nfs/dbraw/zinc/17/04/84/609170484.db2.gz CVZWDSOXGVVXRU-RYUDHWBXSA-N -1 3 335.839 3.526 20 0 EHADHM CCCOc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000825341606 609172743 /nfs/dbraw/zinc/17/27/43/609172743.db2.gz FWKGQPQAIUOWCF-GFCCVEGCSA-N -1 3 341.390 3.968 20 0 EHADHM CCCOc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000825341606 609172744 /nfs/dbraw/zinc/17/27/44/609172744.db2.gz FWKGQPQAIUOWCF-GFCCVEGCSA-N -1 3 341.390 3.968 20 0 EHADHM CC(C)Oc1ccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000824328918 609254197 /nfs/dbraw/zinc/25/41/97/609254197.db2.gz DOAHZURHKDOSQR-GFCCVEGCSA-N -1 3 341.390 3.966 20 0 EHADHM CC(C)Oc1ccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000824328918 609254199 /nfs/dbraw/zinc/25/41/99/609254199.db2.gz DOAHZURHKDOSQR-GFCCVEGCSA-N -1 3 341.390 3.966 20 0 EHADHM C[C@H](Nc1ccc(F)c(Cl)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824656873 609266671 /nfs/dbraw/zinc/26/66/71/609266671.db2.gz NNEQRRRCRIYNIT-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@H](Nc1ccc(F)c(Cl)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824656873 609266672 /nfs/dbraw/zinc/26/66/72/609266672.db2.gz NNEQRRRCRIYNIT-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C1(C)CCCCCC1 ZINC000825621480 609280074 /nfs/dbraw/zinc/28/00/74/609280074.db2.gz UUFFZKAGVCGBSR-UHFFFAOYSA-N -1 3 343.431 3.564 20 0 EHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C1(C)CCCCCC1 ZINC000825621480 609280076 /nfs/dbraw/zinc/28/00/76/609280076.db2.gz UUFFZKAGVCGBSR-UHFFFAOYSA-N -1 3 343.431 3.564 20 0 EHADHM CCN(C(=O)[C@@H]1CCC(C)(C)C1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367510 609375754 /nfs/dbraw/zinc/37/57/54/609375754.db2.gz RLPUMWFNSLGJNS-XJKSGUPXSA-N -1 3 341.459 3.603 20 0 EHADHM CCN(C(=O)[C@@H]1CCC(C)(C)C1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367510 609375756 /nfs/dbraw/zinc/37/57/56/609375756.db2.gz RLPUMWFNSLGJNS-XJKSGUPXSA-N -1 3 341.459 3.603 20 0 EHADHM FC(F)(F)c1cc(SCc2ccncc2)ccc1-c1nnn[n-]1 ZINC000826368516 609451057 /nfs/dbraw/zinc/45/10/57/609451057.db2.gz SIDRZNCNSWCKNG-UHFFFAOYSA-N -1 3 337.330 3.573 20 0 EHADHM FC(F)(F)c1cc(SCc2ccncc2)ccc1-c1nn[n-]n1 ZINC000826368516 609451058 /nfs/dbraw/zinc/45/10/58/609451058.db2.gz SIDRZNCNSWCKNG-UHFFFAOYSA-N -1 3 337.330 3.573 20 0 EHADHM CCOc1ccc(NCc2cccc(-c3nnn[n-]3)c2F)cc1Cl ZINC000825643053 609475847 /nfs/dbraw/zinc/47/58/47/609475847.db2.gz GYLIDAXWBPWLOQ-UHFFFAOYSA-N -1 3 347.781 3.670 20 0 EHADHM CCOc1ccc(NCc2cccc(-c3nn[n-]n3)c2F)cc1Cl ZINC000825643053 609475848 /nfs/dbraw/zinc/47/58/48/609475848.db2.gz GYLIDAXWBPWLOQ-UHFFFAOYSA-N -1 3 347.781 3.670 20 0 EHADHM CC/C(C)=C(\C)C(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825052789 609522682 /nfs/dbraw/zinc/52/26/82/609522682.db2.gz YUDOGGUFEDKJNV-FNDVETGQSA-N -1 3 327.432 3.523 20 0 EHADHM CC/C(C)=C(\C)C(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825052789 609522684 /nfs/dbraw/zinc/52/26/84/609522684.db2.gz YUDOGGUFEDKJNV-FNDVETGQSA-N -1 3 327.432 3.523 20 0 EHADHM Clc1ccc(OCCSc2ccccc2-c2nnn[n-]2)cc1 ZINC000737573552 945097004 /nfs/dbraw/zinc/09/70/04/945097004.db2.gz MGWGNKGKPGDAPD-UHFFFAOYSA-N -1 3 332.816 3.691 20 0 EHADHM Clc1ccc(OCCSc2ccccc2-c2nn[n-]n2)cc1 ZINC000737573552 945097016 /nfs/dbraw/zinc/09/70/16/945097016.db2.gz MGWGNKGKPGDAPD-UHFFFAOYSA-N -1 3 332.816 3.691 20 0 EHADHM c1coc(-c2nc(CSc3ccccc3-c3nnn[n-]3)cs2)c1 ZINC000738447100 945268438 /nfs/dbraw/zinc/26/84/38/945268438.db2.gz CUWKRRTXVNQFNA-UHFFFAOYSA-N -1 3 341.421 3.876 20 0 EHADHM c1coc(-c2nc(CSc3ccccc3-c3nn[n-]n3)cs2)c1 ZINC000738447100 945268452 /nfs/dbraw/zinc/26/84/52/945268452.db2.gz CUWKRRTXVNQFNA-UHFFFAOYSA-N -1 3 341.421 3.876 20 0 EHADHM C[C@@H](C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CC1 ZINC000819876658 945304210 /nfs/dbraw/zinc/30/42/10/945304210.db2.gz IIALBKAFRKWZEU-GFCCVEGCSA-N -1 3 349.394 3.644 20 0 EHADHM C[C@@H](C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000819876658 945304219 /nfs/dbraw/zinc/30/42/19/945304219.db2.gz IIALBKAFRKWZEU-GFCCVEGCSA-N -1 3 349.394 3.644 20 0 EHADHM CC(C)CCOc1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000820076704 945348045 /nfs/dbraw/zinc/34/80/45/945348045.db2.gz RRCDEADBODROPU-UHFFFAOYSA-N -1 3 343.456 3.965 20 0 EHADHM CC(C)CCOc1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000820076704 945348050 /nfs/dbraw/zinc/34/80/50/945348050.db2.gz RRCDEADBODROPU-UHFFFAOYSA-N -1 3 343.456 3.965 20 0 EHADHM O=C([O-])[C@@H](NCc1cc(F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000322466720 970891113 /nfs/dbraw/zinc/89/11/13/970891113.db2.gz ZHDLPMJZVAASAJ-AWEZNQCLSA-N -1 3 327.277 3.760 20 0 EHADHM CC(C)Sc1ccccc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000070731241 944604324 /nfs/dbraw/zinc/60/43/24/944604324.db2.gz DCVJRSIEPNXKGC-UHFFFAOYSA-N -1 3 339.424 3.620 20 0 EHADHM CC(C)Sc1ccccc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000070731241 944604327 /nfs/dbraw/zinc/60/43/27/944604327.db2.gz DCVJRSIEPNXKGC-UHFFFAOYSA-N -1 3 339.424 3.620 20 0 EHADHM CCC(=CC(=O)Nc1ccccc1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000736302410 944791807 /nfs/dbraw/zinc/79/18/07/944791807.db2.gz FIAHWGKIAGYUNE-OWBHPGMISA-N -1 3 333.395 3.607 20 0 EHADHM CCC(=CC(=O)Nc1ccccc1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000736302410 944791815 /nfs/dbraw/zinc/79/18/15/944791815.db2.gz FIAHWGKIAGYUNE-OWBHPGMISA-N -1 3 333.395 3.607 20 0 EHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)[C@@H](c1ccccc1)C(F)(F)F ZINC000736818745 944895150 /nfs/dbraw/zinc/89/51/50/944895150.db2.gz XJACOKZDGQYZGA-HNNXBMFYSA-N -1 3 347.344 3.602 20 0 EHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)[C@@H](c1ccccc1)C(F)(F)F ZINC000736818745 944895165 /nfs/dbraw/zinc/89/51/65/944895165.db2.gz XJACOKZDGQYZGA-HNNXBMFYSA-N -1 3 347.344 3.602 20 0 EHADHM CC(C)c1ccccc1NC(=O)CN1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000327022953 971357610 /nfs/dbraw/zinc/35/76/10/971357610.db2.gz GUDWXOKSEVIIEZ-OAHLLOKOSA-N -1 3 346.471 3.571 20 0 EHADHM Cc1ccc(C2=CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)cc1 ZINC000826284664 947817154 /nfs/dbraw/zinc/81/71/54/947817154.db2.gz ANFZRXBUALFIHL-UHFFFAOYSA-N -1 3 335.386 3.608 20 0 EHADHM Cc1ccc(C2=CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)cc1 ZINC000826284664 947817161 /nfs/dbraw/zinc/81/71/61/947817161.db2.gz ANFZRXBUALFIHL-UHFFFAOYSA-N -1 3 335.386 3.608 20 0 EHADHM Cc1ccnc(N[C@H](C)c2ccccc2OC(C)C)c1-c1nnn[n-]1 ZINC000826311772 947902992 /nfs/dbraw/zinc/90/29/92/947902992.db2.gz MZMPOMDODGKUAL-CYBMUJFWSA-N -1 3 338.415 3.530 20 0 EHADHM Cc1ccnc(N[C@H](C)c2ccccc2OC(C)C)c1-c1nn[n-]n1 ZINC000826311772 947902996 /nfs/dbraw/zinc/90/29/96/947902996.db2.gz MZMPOMDODGKUAL-CYBMUJFWSA-N -1 3 338.415 3.530 20 0 EHADHM CC(C)c1ccc(N(C)Cc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC001574416721 948759926 /nfs/dbraw/zinc/75/99/26/948759926.db2.gz FHFABTNEESPEAW-UHFFFAOYSA-N -1 3 325.391 3.766 20 0 EHADHM CC(C)c1ccc(N(C)Cc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC001574416721 948759934 /nfs/dbraw/zinc/75/99/34/948759934.db2.gz FHFABTNEESPEAW-UHFFFAOYSA-N -1 3 325.391 3.766 20 0 EHADHM O=C([O-])c1ccccc1C1CCN(Cc2ccc(O)c(F)c2)CC1 ZINC001595254031 949574396 /nfs/dbraw/zinc/57/43/96/949574396.db2.gz QQBOIDAQUOAAOM-UHFFFAOYSA-N -1 3 329.371 3.609 20 0 EHADHM C[C@@H]1CCCC[C@H]1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC001576169854 949695852 /nfs/dbraw/zinc/69/58/52/949695852.db2.gz JYQHYFPCVTTYDV-GHMZBOCLSA-N -1 3 345.472 3.572 20 0 EHADHM C[C@@H]1CCCC[C@H]1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC001576169854 949695858 /nfs/dbraw/zinc/69/58/58/949695858.db2.gz JYQHYFPCVTTYDV-GHMZBOCLSA-N -1 3 345.472 3.572 20 0 EHADHM C[C@H]1CCCN(Cc2cccc(F)c2-c2nnn[n-]2)c2ccccc21 ZINC001576177933 949869962 /nfs/dbraw/zinc/86/99/62/949869962.db2.gz DYCXFFCAUGCIIS-ZDUSSCGKSA-N -1 3 337.402 3.910 20 0 EHADHM C[C@H]1CCCN(Cc2cccc(F)c2-c2nn[n-]n2)c2ccccc21 ZINC001576177933 949869974 /nfs/dbraw/zinc/86/99/74/949869974.db2.gz DYCXFFCAUGCIIS-ZDUSSCGKSA-N -1 3 337.402 3.910 20 0 EHADHM CC(C)(C)C1CCC(OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573825448 949879060 /nfs/dbraw/zinc/87/90/60/949879060.db2.gz WCGRUCYSSCIYSK-UHFFFAOYSA-N -1 3 342.443 3.557 20 0 EHADHM CC(C)(C)C1CCC(OC(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573825448 949879084 /nfs/dbraw/zinc/87/90/84/949879084.db2.gz WCGRUCYSSCIYSK-UHFFFAOYSA-N -1 3 342.443 3.557 20 0 EHADHM CCCOc1cc(CN[C@H](C(=O)[O-])c2cccc(C)c2)ccc1OC ZINC001589679887 950031084 /nfs/dbraw/zinc/03/10/84/950031084.db2.gz ALUWCSCZZPHXMO-IBGZPJMESA-N -1 3 343.423 3.708 20 0 EHADHM CC(C)(C)Oc1cccc(COc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001573876536 950675052 /nfs/dbraw/zinc/67/50/52/950675052.db2.gz PQFPJUFBYAAMIY-UHFFFAOYSA-N -1 3 342.374 3.762 20 0 EHADHM CC(C)(C)Oc1cccc(COc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001573876536 950675065 /nfs/dbraw/zinc/67/50/65/950675065.db2.gz PQFPJUFBYAAMIY-UHFFFAOYSA-N -1 3 342.374 3.762 20 0 EHADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(OCC2CCC3(CC3)CC2)n1 ZINC001573881709 950756051 /nfs/dbraw/zinc/75/60/51/950756051.db2.gz FNIVXTXNSIWAHW-UHFFFAOYSA-N -1 3 341.459 3.908 20 0 EHADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(OCC2CCC3(CC3)CC2)n1 ZINC001573881709 950756067 /nfs/dbraw/zinc/75/60/67/950756067.db2.gz FNIVXTXNSIWAHW-UHFFFAOYSA-N -1 3 341.459 3.908 20 0 EHADHM CC(C)CCCCCC(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001574195498 950988858 /nfs/dbraw/zinc/98/88/58/950988858.db2.gz QCFVTUFPMZNWFF-HNNXBMFYSA-N -1 3 343.475 3.993 20 0 EHADHM CC(C)CCCCCC(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001574195498 950988869 /nfs/dbraw/zinc/98/88/69/950988869.db2.gz QCFVTUFPMZNWFF-HNNXBMFYSA-N -1 3 343.475 3.993 20 0 EHADHM CCCOc1cccc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)c1 ZINC000325765198 951091820 /nfs/dbraw/zinc/09/18/20/951091820.db2.gz SRTIYOJVHWVHEC-LJQANCHMSA-N -1 3 325.408 3.659 20 0 EHADHM C[C@@H](COCc1ccccc1)CSc1cccc(-c2nnn[n-]2)c1 ZINC001575176019 952390979 /nfs/dbraw/zinc/39/09/79/952390979.db2.gz GCVSAIKTXNNMSQ-AWEZNQCLSA-N -1 3 340.452 3.812 20 0 EHADHM C[C@@H](COCc1ccccc1)CSc1cccc(-c2nn[n-]n2)c1 ZINC001575176019 952390981 /nfs/dbraw/zinc/39/09/81/952390981.db2.gz GCVSAIKTXNNMSQ-AWEZNQCLSA-N -1 3 340.452 3.812 20 0 EHADHM O=C([O-])[C@@H]1CCC[C@@H]1NCc1oc2ccccc2c1Br ZINC000630477598 953855025 /nfs/dbraw/zinc/85/50/25/953855025.db2.gz JUGHHGDZFRNGBK-KOLCDFICSA-N -1 3 338.201 3.538 20 0 EHADHM Cn1nc(C(=O)[O-])cc1CN[C@@H](c1ccc(F)cc1)C1CCCCC1 ZINC000635318155 953880548 /nfs/dbraw/zinc/88/05/48/953880548.db2.gz ADJHPSQHCLDNDM-GOSISDBHSA-N -1 3 345.418 3.669 20 0 EHADHM Cn1nc(C(=O)[O-])cc1CN[C@H](c1ccc(F)cc1)C1CCCCC1 ZINC000635318156 953880937 /nfs/dbraw/zinc/88/09/37/953880937.db2.gz ADJHPSQHCLDNDM-SFHVURJKSA-N -1 3 345.418 3.669 20 0 EHADHM O=C([O-])[C@@H]1CN(Cc2cc(-c3ccccc3Cl)on2)C[C@H]1C1CC1 ZINC000652514071 954092357 /nfs/dbraw/zinc/09/23/57/954092357.db2.gz QDLUTPSWWCQTSJ-LSDHHAIUSA-N -1 3 346.814 3.538 20 0 EHADHM C[C@](NCc1ccc(OC(F)F)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC001573631136 959554492 /nfs/dbraw/zinc/55/44/92/959554492.db2.gz OTNJQSAUHXSOGP-QGZVFWFLSA-N -1 3 339.313 3.517 20 0 EHADHM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000263157837 1125472494 /nfs/dbraw/zinc/47/24/94/1125472494.db2.gz FXORIVJCGWQBLL-WCQYABFASA-N -1 3 334.803 3.538 20 0 EHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)[C@@H](C)c3ccccc3)nc2)n1 ZINC000080688179 1032072905 /nfs/dbraw/zinc/07/29/05/1032072905.db2.gz AHXPBZIVHYLROK-HUUCEWRRSA-N -1 3 348.450 3.998 20 0 EHADHM Cc1ccccc1-n1nccc1CN[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001605351506 973259389 /nfs/dbraw/zinc/25/93/89/973259389.db2.gz QLKMPAFHBAMILJ-RTBURBONSA-N -1 3 347.418 3.584 20 0 EHADHM CCc1nc([C@@H](C)NCc2cc(=O)[n-]c(-c3ccccc3)n2)cs1 ZINC000459412884 1032084210 /nfs/dbraw/zinc/08/42/10/1032084210.db2.gz WGDPGIJCAUEKOT-GFCCVEGCSA-N -1 3 340.452 3.719 20 0 EHADHM O=C([O-])[C@@]1(C(F)(F)F)CCN([C@@H]2CCc3c2cccc3Cl)C1 ZINC000563290787 974529890 /nfs/dbraw/zinc/52/98/90/974529890.db2.gz UGOAZTHUYSBJEK-TZMCWYRMSA-N -1 3 333.737 3.666 20 0 EHADHM CCC[C@@]1(CO)CCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000563455358 974533840 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/nfs/dbraw/zinc/51/79/22/1138517922.db2.gz TYWPASKWYDCRQY-UHFFFAOYSA-N -1 3 346.412 3.713 20 0 EHADHM Cc1cc(F)cc([C@@]2(F)CCN([C@H](C)c3nc(C)cc(=O)[n-]3)C2)c1 ZINC000337462278 1138576149 /nfs/dbraw/zinc/57/61/49/1138576149.db2.gz QDLIZDYUGCUVQE-FZKQIMNGSA-N -1 3 333.382 3.570 20 0 EHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)Nc1cc(C)ccc1C ZINC001202770534 1139456182 /nfs/dbraw/zinc/45/61/82/1139456182.db2.gz NXDMGGQAYDQLPX-UHFFFAOYSA-N -1 3 332.331 3.579 20 0 EHADHM C[C@@H]1CCN(C(=O)NCc2ccc([O-])c(F)c2)[C@@H](c2ccco2)C1 ZINC000175192311 1139470993 /nfs/dbraw/zinc/47/09/93/1139470993.db2.gz XIGBIYURJZAAKJ-IUODEOHRSA-N -1 3 332.375 3.807 20 0 EHADHM COc1ccc(N[C@H](c2ccccc2)C(C)C)cc1[N-]S(C)(=O)=O ZINC000182732566 1139988864 /nfs/dbraw/zinc/98/88/64/1139988864.db2.gz KDTBDOHRSSKUJK-SFHVURJKSA-N -1 3 348.468 3.876 20 0 EHADHM COC(=O)c1cnc(SCc2c(C)cc(C)c(C(C)=O)c2C)[n-]1 ZINC000187598956 1140263689 /nfs/dbraw/zinc/26/36/89/1140263689.db2.gz UROPBEUHCRXGSU-UHFFFAOYSA-N -1 3 332.425 3.616 20 0 EHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(-c3ccccc3C)o2)n1 ZINC000268288477 1140914325 /nfs/dbraw/zinc/91/43/25/1140914325.db2.gz AWLDOWMMZJOKOA-NSHDSACASA-N -1 3 328.397 3.702 20 0 EHADHM CCCCN(C(=O)NCc1ccc([O-])c(Br)c1)C1CC1 ZINC000269049757 1141054488 /nfs/dbraw/zinc/05/44/88/1141054488.db2.gz VBUWFZQUMXGHKM-UHFFFAOYSA-N -1 3 341.249 3.629 20 0 EHADHM Cc1ccccc1CC[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000024068055 202112359 /nfs/dbraw/zinc/11/23/59/202112359.db2.gz QVAPUZQMTMSNSC-UHFFFAOYSA-N -1 3 343.370 3.535 20 0 EHADHM CCC(CC)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000069100384 202979159 /nfs/dbraw/zinc/97/91/59/202979159.db2.gz ZLSGVPPRGKNYKT-UHFFFAOYSA-N -1 3 329.771 3.826 20 0 EHADHM Cc1noc2nc(C)cc(C(=O)[N-]c3nnc(CCC(C)C)s3)c12 ZINC000617098103 480094581 /nfs/dbraw/zinc/09/45/81/480094581.db2.gz QGOOKFSCFXNNPT-UHFFFAOYSA-N -1 3 345.428 3.532 20 0 EHADHM CCc1cc([N-]C(=O)c2nc(C)n(-c3ccccc3C(C)C)n2)no1 ZINC000606885114 479748842 /nfs/dbraw/zinc/74/88/42/479748842.db2.gz CLHBBLHZFULDFY-UHFFFAOYSA-N -1 3 339.399 3.502 20 0 EHADHM C[C@@H]1CCCN(Cc2cc(C(=O)[O-])ccc2Br)[C@H]1C ZINC000675072864 564112733 /nfs/dbraw/zinc/11/27/33/564112733.db2.gz IWKFKPFZTSGAJJ-MNOVXSKESA-N -1 3 326.234 3.768 20 0 EHADHM C[C@H]1C[C@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C[C@@H](C)C1 ZINC000736226035 598856664 /nfs/dbraw/zinc/85/66/64/598856664.db2.gz UWCCXDNQPYFPFL-MYJAWHEDSA-N -1 3 340.353 3.517 20 0 EHADHM C[C@H]1C[C@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C[C@@H](C)C1 ZINC000736226035 598856665 /nfs/dbraw/zinc/85/66/65/598856665.db2.gz UWCCXDNQPYFPFL-MYJAWHEDSA-N -1 3 340.353 3.517 20 0 EHADHM CC[C@H](CC1CCCC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000736349655 598904848 /nfs/dbraw/zinc/90/48/48/598904848.db2.gz HKMKVPROJMTVDZ-CQSZACIVSA-N -1 3 327.432 3.720 20 0 EHADHM CC[C@H](CC1CCCC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000736349655 598904849 /nfs/dbraw/zinc/90/48/49/598904849.db2.gz HKMKVPROJMTVDZ-CQSZACIVSA-N -1 3 327.432 3.720 20 0 EHADHM CC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1cc(F)ccc1F ZINC000736370437 598975277 /nfs/dbraw/zinc/97/52/77/598975277.db2.gz RRJJNVISEPUWRB-CQSZACIVSA-N -1 3 333.317 3.847 20 0 EHADHM O=C(CCC1CC1)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000737823879 598989862 /nfs/dbraw/zinc/98/98/62/598989862.db2.gz LWGGYKAGIZXWAX-UHFFFAOYSA-N -1 3 347.422 3.590 20 0 EHADHM O=C(CCC1CC1)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000737823879 598989864 /nfs/dbraw/zinc/98/98/64/598989864.db2.gz LWGGYKAGIZXWAX-UHFFFAOYSA-N -1 3 347.422 3.590 20 0 EHADHM C[C@H](SCCCOCC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188188 599325487 /nfs/dbraw/zinc/32/54/87/599325487.db2.gz IRMYPDPKGXKSSW-JTQLQIEISA-N -1 3 346.378 3.630 20 0 EHADHM C[C@H](SCCCOCC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188188 599325490 /nfs/dbraw/zinc/32/54/90/599325490.db2.gz IRMYPDPKGXKSSW-JTQLQIEISA-N -1 3 346.378 3.630 20 0 EHADHM Cc1ccccc1[C@H](C)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737422852 599042309 /nfs/dbraw/zinc/04/23/09/599042309.db2.gz PFHKLKKMNZWDFI-JTQLQIEISA-N -1 3 348.332 3.762 20 0 EHADHM Cc1ccccc1[C@H](C)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737422852 599042312 /nfs/dbraw/zinc/04/23/12/599042312.db2.gz PFHKLKKMNZWDFI-JTQLQIEISA-N -1 3 348.332 3.762 20 0 EHADHM C[C@H](CNc1ccc(Cl)cc1-c1nnn[n-]1)Oc1cccc(F)c1 ZINC000820280469 599058940 /nfs/dbraw/zinc/05/89/40/599058940.db2.gz HBVFSTUAKHQBRK-SNVBAGLBSA-N -1 3 347.781 3.539 20 0 EHADHM C[C@H](CNc1ccc(Cl)cc1-c1nn[n-]n1)Oc1cccc(F)c1 ZINC000820280469 599058943 /nfs/dbraw/zinc/05/89/43/599058943.db2.gz HBVFSTUAKHQBRK-SNVBAGLBSA-N -1 3 347.781 3.539 20 0 EHADHM C[C@@H](CNc1ccc(F)cc1-c1nnn[n-]1)Oc1cccc(Cl)c1 ZINC000820281264 599064350 /nfs/dbraw/zinc/06/43/50/599064350.db2.gz UOGYIFRMZXAMNE-JTQLQIEISA-N -1 3 347.781 3.539 20 0 EHADHM C[C@@H](CNc1ccc(F)cc1-c1nn[n-]n1)Oc1cccc(Cl)c1 ZINC000820281264 599064352 /nfs/dbraw/zinc/06/43/52/599064352.db2.gz UOGYIFRMZXAMNE-JTQLQIEISA-N -1 3 347.781 3.539 20 0 EHADHM C[C@H](CNc1cc(Cl)ccc1-c1nnn[n-]1)Oc1ccccc1F ZINC000820274580 599066551 /nfs/dbraw/zinc/06/65/51/599066551.db2.gz IOEPAFDHFIAXQG-SNVBAGLBSA-N -1 3 347.781 3.539 20 0 EHADHM C[C@H](CNc1cc(Cl)ccc1-c1nn[n-]n1)Oc1ccccc1F ZINC000820274580 599066554 /nfs/dbraw/zinc/06/65/54/599066554.db2.gz IOEPAFDHFIAXQG-SNVBAGLBSA-N -1 3 347.781 3.539 20 0 EHADHM c1ccc(Oc2cccc(NCc3ccc(-c4nnn[n-]4)cc3)c2)nc1 ZINC000823792319 599133780 /nfs/dbraw/zinc/13/37/80/599133780.db2.gz SGHMEUXOSPRXCK-UHFFFAOYSA-N -1 3 344.378 3.666 20 0 EHADHM c1ccc(Oc2cccc(NCc3ccc(-c4nn[n-]n4)cc3)c2)nc1 ZINC000823792319 599133782 /nfs/dbraw/zinc/13/37/82/599133782.db2.gz SGHMEUXOSPRXCK-UHFFFAOYSA-N -1 3 344.378 3.666 20 0 EHADHM CCCCC[C@@H](C)CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821048368 599137103 /nfs/dbraw/zinc/13/71/03/599137103.db2.gz BNSLDNNQXKLVQJ-ZIAGYGMSSA-N -1 3 329.448 3.650 20 0 EHADHM CCCCC[C@@H](C)CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821048368 599137105 /nfs/dbraw/zinc/13/71/05/599137105.db2.gz BNSLDNNQXKLVQJ-ZIAGYGMSSA-N -1 3 329.448 3.650 20 0 EHADHM CCCCCC[C@@H](C)CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821051030 599180561 /nfs/dbraw/zinc/18/05/61/599180561.db2.gz XHCKWVPMCMYNSV-CYBMUJFWSA-N -1 3 347.438 3.619 20 0 EHADHM CCCCCC[C@@H](C)CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821051030 599180562 /nfs/dbraw/zinc/18/05/62/599180562.db2.gz XHCKWVPMCMYNSV-CYBMUJFWSA-N -1 3 347.438 3.619 20 0 EHADHM CCCC[C@@H](CC)CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC000736439192 599221474 /nfs/dbraw/zinc/22/14/74/599221474.db2.gz SAFFLOUDSRURCT-CYBMUJFWSA-N -1 3 345.447 3.810 20 0 EHADHM CCCC[C@@H](CC)CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC000736439192 599221476 /nfs/dbraw/zinc/22/14/76/599221476.db2.gz SAFFLOUDSRURCT-CYBMUJFWSA-N -1 3 345.447 3.810 20 0 EHADHM COc1cc(C)c([C@H](C)NCc2ccc(C(=O)[O-])cc2)cc1OC ZINC000263509197 597243926 /nfs/dbraw/zinc/24/39/26/597243926.db2.gz YFGHCHFYPHPZCN-ZDUSSCGKSA-N -1 3 329.396 3.561 20 0 EHADHM COc1ccc(C(C)(C)C)cc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000821772861 607310594 /nfs/dbraw/zinc/31/05/94/607310594.db2.gz SZFFGJLHOJINPS-UHFFFAOYSA-N -1 3 343.456 3.846 20 0 EHADHM CC(C)COc1ccccc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000820102729 607312172 /nfs/dbraw/zinc/31/21/72/607312172.db2.gz IOLCLBBJPJGNTK-UHFFFAOYSA-N -1 3 329.429 3.575 20 0 EHADHM CC(C)COc1ccccc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000820102729 607312173 /nfs/dbraw/zinc/31/21/73/607312173.db2.gz IOLCLBBJPJGNTK-UHFFFAOYSA-N -1 3 329.429 3.575 20 0 EHADHM CC(C)(C)[C@H]1OCCC[C@H]1CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735597669 599304823 /nfs/dbraw/zinc/30/48/23/599304823.db2.gz RRJTUBGRIKXTRW-NHYWBVRUSA-N -1 3 349.866 3.773 20 0 EHADHM CC(C)(C)[C@H]1OCCC[C@H]1CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735597669 599304826 /nfs/dbraw/zinc/30/48/26/599304826.db2.gz RRJTUBGRIKXTRW-NHYWBVRUSA-N -1 3 349.866 3.773 20 0 EHADHM FC(F)(F)Cc1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000822718628 607319183 /nfs/dbraw/zinc/31/91/83/607319183.db2.gz NINHIGINWSDYPZ-UHFFFAOYSA-N -1 3 339.346 3.645 20 0 EHADHM FC(F)(F)Cc1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822718628 607319184 /nfs/dbraw/zinc/31/91/84/607319184.db2.gz NINHIGINWSDYPZ-UHFFFAOYSA-N -1 3 339.346 3.645 20 0 EHADHM CCC(CC)n1ccc(CSCc2cccc(-c3nnn[n-]3)c2)n1 ZINC000820902535 607325838 /nfs/dbraw/zinc/32/58/38/607325838.db2.gz MLUCKMFWGUZGEM-UHFFFAOYSA-N -1 3 342.472 3.858 20 0 EHADHM CCC(CC)n1ccc(CSCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000820902535 607325839 /nfs/dbraw/zinc/32/58/39/607325839.db2.gz MLUCKMFWGUZGEM-UHFFFAOYSA-N -1 3 342.472 3.858 20 0 EHADHM COc1ccc2c(c1)CCC[C@H]2Nc1ccc(-c2nn[n-]n2)cc1F ZINC000737114201 598242833 /nfs/dbraw/zinc/24/28/33/598242833.db2.gz HPQZXFZEPXSREY-MRXNPFEDSA-N -1 3 339.374 3.504 20 0 EHADHM Cc1cccc(C2(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)CCCC2)c1 ZINC000520506739 598364577 /nfs/dbraw/zinc/36/45/77/598364577.db2.gz FHCFDGTWIQARBH-UHFFFAOYSA-N -1 3 347.422 3.626 20 0 EHADHM Cc1cccc(C2(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)CCCC2)c1 ZINC000520506739 598364579 /nfs/dbraw/zinc/36/45/79/598364579.db2.gz FHCFDGTWIQARBH-UHFFFAOYSA-N -1 3 347.422 3.626 20 0 EHADHM Brc1cccc(SCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735368919 598536776 /nfs/dbraw/zinc/53/67/76/598536776.db2.gz PDJPGXVNVGXXNV-UHFFFAOYSA-N -1 3 347.241 3.922 20 0 EHADHM Brc1cccc(SCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735368919 598536778 /nfs/dbraw/zinc/53/67/78/598536778.db2.gz PDJPGXVNVGXXNV-UHFFFAOYSA-N -1 3 347.241 3.922 20 0 EHADHM CCC1CCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000736407108 598575932 /nfs/dbraw/zinc/57/59/32/598575932.db2.gz FFPPNYVFGRRMPL-UHFFFAOYSA-N -1 3 325.338 3.512 20 0 EHADHM CCC1CCN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000736407108 598575934 /nfs/dbraw/zinc/57/59/34/598575934.db2.gz FFPPNYVFGRRMPL-UHFFFAOYSA-N -1 3 325.338 3.512 20 0 EHADHM Cc1c(NC(=O)c2c(Cl)cccc2Cl)cccc1-c1nnn[n-]1 ZINC000822104167 607361977 /nfs/dbraw/zinc/36/19/77/607361977.db2.gz KXOCUHIVQGIHLM-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1c(NC(=O)c2c(Cl)cccc2Cl)cccc1-c1nn[n-]n1 ZINC000822104167 607361978 /nfs/dbraw/zinc/36/19/78/607361978.db2.gz KXOCUHIVQGIHLM-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Fc1cccc(N[C@@H](c2ccccc2)c2cccnc2)c1-c1nnn[n-]1 ZINC000737661754 598673464 /nfs/dbraw/zinc/67/34/64/598673464.db2.gz PULANFBRIVFMET-SFHVURJKSA-N -1 3 346.369 3.602 20 0 EHADHM Fc1cccc(N[C@@H](c2ccccc2)c2cccnc2)c1-c1nn[n-]n1 ZINC000737661754 598673466 /nfs/dbraw/zinc/67/34/66/598673466.db2.gz PULANFBRIVFMET-SFHVURJKSA-N -1 3 346.369 3.602 20 0 EHADHM Fc1ccc(CN2CCCSc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000737651195 598679170 /nfs/dbraw/zinc/67/91/70/598679170.db2.gz RUOLXMOBJDJVDO-UHFFFAOYSA-N -1 3 341.415 3.508 20 0 EHADHM Fc1ccc(CN2CCCSc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000737651195 598679172 /nfs/dbraw/zinc/67/91/72/598679172.db2.gz RUOLXMOBJDJVDO-UHFFFAOYSA-N -1 3 341.415 3.508 20 0 EHADHM CC(C)c1ccccc1OCCNc1ccc(-c2nn[n-]n2)cc1F ZINC000735932648 598681000 /nfs/dbraw/zinc/68/10/00/598681000.db2.gz OPCKYECCDZDDCS-UHFFFAOYSA-N -1 3 341.390 3.620 20 0 EHADHM CCS[C@@H]1CCCCN(c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000736667599 598749277 /nfs/dbraw/zinc/74/92/77/598749277.db2.gz WAPRCYCOUHMJHX-GFCCVEGCSA-N -1 3 337.880 3.632 20 0 EHADHM CCS[C@@H]1CCCCN(c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000736667599 598749278 /nfs/dbraw/zinc/74/92/78/598749278.db2.gz WAPRCYCOUHMJHX-GFCCVEGCSA-N -1 3 337.880 3.632 20 0 EHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@@H](CC)C(C)C ZINC000736481220 598817359 /nfs/dbraw/zinc/81/73/59/598817359.db2.gz XLYCMYIJUHMDQX-MRXNPFEDSA-N -1 3 343.475 3.678 20 0 EHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@@H](CC)C(C)C ZINC000736481220 598817360 /nfs/dbraw/zinc/81/73/60/598817360.db2.gz XLYCMYIJUHMDQX-MRXNPFEDSA-N -1 3 343.475 3.678 20 0 EHADHM CCN(C(=O)c1oc2ccccc2c1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509140 599310246 /nfs/dbraw/zinc/31/02/46/599310246.db2.gz SVSJNROOSWJSDY-UHFFFAOYSA-N -1 3 347.378 3.588 20 0 EHADHM CCN(C(=O)c1oc2ccccc2c1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509140 599310248 /nfs/dbraw/zinc/31/02/48/599310248.db2.gz SVSJNROOSWJSDY-UHFFFAOYSA-N -1 3 347.378 3.588 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1ccc(OC(F)(F)F)cc1 ZINC000737297727 599329908 /nfs/dbraw/zinc/32/99/08/599329908.db2.gz YZRCDAJJTBIUHQ-UHFFFAOYSA-N -1 3 349.316 3.686 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1ccc(OC(F)(F)F)cc1 ZINC000737297727 599329911 /nfs/dbraw/zinc/32/99/11/599329911.db2.gz YZRCDAJJTBIUHQ-UHFFFAOYSA-N -1 3 349.316 3.686 20 0 EHADHM c1nc(CSc2ccccc2-c2nnn[n-]2)oc1-c1ccccc1 ZINC000823767477 599343618 /nfs/dbraw/zinc/34/36/18/599343618.db2.gz RWEVMOXZHALLBR-UHFFFAOYSA-N -1 3 335.392 3.814 20 0 EHADHM c1nc(CSc2ccccc2-c2nn[n-]n2)oc1-c1ccccc1 ZINC000823767477 599343619 /nfs/dbraw/zinc/34/36/19/599343619.db2.gz RWEVMOXZHALLBR-UHFFFAOYSA-N -1 3 335.392 3.814 20 0 EHADHM c1csc(-c2cnc(CSc3ccccc3-c3nnn[n-]3)o2)c1 ZINC000823816800 599343839 /nfs/dbraw/zinc/34/38/39/599343839.db2.gz YSSGCWKPUSTVIE-UHFFFAOYSA-N -1 3 341.421 3.876 20 0 EHADHM c1csc(-c2cnc(CSc3ccccc3-c3nn[n-]n3)o2)c1 ZINC000823816800 599343843 /nfs/dbraw/zinc/34/38/43/599343843.db2.gz YSSGCWKPUSTVIE-UHFFFAOYSA-N -1 3 341.421 3.876 20 0 EHADHM c1ccc(Oc2ncccc2-c2nnn[n-]2)c(NCC2CCCC2)c1 ZINC000823792065 607371998 /nfs/dbraw/zinc/37/19/98/607371998.db2.gz ONNVRNKOULDCBR-UHFFFAOYSA-N -1 3 336.399 3.656 20 0 EHADHM C[C@@H]1C[C@@H]1c1ccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)o1 ZINC000736236863 599413810 /nfs/dbraw/zinc/41/38/10/599413810.db2.gz MAUWDMKHYLCWBD-RISCZKNCSA-N -1 3 346.394 3.743 20 0 EHADHM C[C@@H]1C[C@@H]1c1ccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)o1 ZINC000736236863 599413814 /nfs/dbraw/zinc/41/38/14/599413814.db2.gz MAUWDMKHYLCWBD-RISCZKNCSA-N -1 3 346.394 3.743 20 0 EHADHM COc1ccc(-c2nnn[n-]2)cc1CS[C@@H](C)c1cccs1 ZINC000821749561 607379076 /nfs/dbraw/zinc/37/90/76/607379076.db2.gz RURLFHFBYHILFE-JTQLQIEISA-N -1 3 332.454 3.931 20 0 EHADHM COc1ccc(-c2nn[n-]n2)cc1CS[C@@H](C)c1cccs1 ZINC000821749561 607379077 /nfs/dbraw/zinc/37/90/77/607379077.db2.gz RURLFHFBYHILFE-JTQLQIEISA-N -1 3 332.454 3.931 20 0 EHADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1cccc(F)c1-c1nnn[n-]1 ZINC000736233920 599472540 /nfs/dbraw/zinc/47/25/40/599472540.db2.gz HEOYTPJCMRNUCZ-DGCLKSJQSA-N -1 3 341.365 3.527 20 0 EHADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1cccc(F)c1-c1nn[n-]n1 ZINC000736233920 599472543 /nfs/dbraw/zinc/47/25/43/599472543.db2.gz HEOYTPJCMRNUCZ-DGCLKSJQSA-N -1 3 341.365 3.527 20 0 EHADHM Fc1ccc(N[C@@H]2CCc3c2cccc3Cl)c(-c2nnn[n-]2)c1 ZINC000822778420 599493872 /nfs/dbraw/zinc/49/38/72/599493872.db2.gz HNFAXKYYJFSUBZ-CQSZACIVSA-N -1 3 329.766 3.759 20 0 EHADHM Fc1ccc(N[C@@H]2CCc3c2cccc3Cl)c(-c2nn[n-]n2)c1 ZINC000822778420 599493875 /nfs/dbraw/zinc/49/38/75/599493875.db2.gz HNFAXKYYJFSUBZ-CQSZACIVSA-N -1 3 329.766 3.759 20 0 EHADHM CC(C)(C)Oc1ccc(CNc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000819951643 599494407 /nfs/dbraw/zinc/49/44/07/599494407.db2.gz VJJOEQOFTZSLDE-UHFFFAOYSA-N -1 3 341.390 3.795 20 0 EHADHM CC(C)(C)Oc1ccc(CNc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000819951643 599494409 /nfs/dbraw/zinc/49/44/09/599494409.db2.gz VJJOEQOFTZSLDE-UHFFFAOYSA-N -1 3 341.390 3.795 20 0 EHADHM Cc1sc(NC(=O)CCCC2CCCC2)c(-c2nnn[n-]2)c1C ZINC000822559218 599629102 /nfs/dbraw/zinc/62/91/02/599629102.db2.gz YMXNXGPZEGANTL-UHFFFAOYSA-N -1 3 333.461 3.844 20 0 EHADHM Cc1sc(NC(=O)CCCC2CCCC2)c(-c2nn[n-]n2)c1C ZINC000822559218 599629103 /nfs/dbraw/zinc/62/91/03/599629103.db2.gz YMXNXGPZEGANTL-UHFFFAOYSA-N -1 3 333.461 3.844 20 0 EHADHM CCC[C@@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821014529 599633835 /nfs/dbraw/zinc/63/38/35/599633835.db2.gz IJUDKEPKLCOCNF-SECBINFHSA-N -1 3 341.337 3.650 20 0 EHADHM CCC[C@@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821014529 599633836 /nfs/dbraw/zinc/63/38/36/599633836.db2.gz IJUDKEPKLCOCNF-SECBINFHSA-N -1 3 341.337 3.650 20 0 EHADHM Cc1oc(CN2CCC(c3ccc(F)c(F)c3)CC2)cc1C(=O)[O-] ZINC000738978281 599794448 /nfs/dbraw/zinc/79/44/48/599794448.db2.gz GZCVSDCGMPGKSG-UHFFFAOYSA-N -1 3 335.350 3.944 20 0 EHADHM C[C@H](CN(Cc1cc(Cl)ccc1OC(F)F)C1CC1)C(=O)[O-] ZINC000652488936 599951029 /nfs/dbraw/zinc/95/10/29/599951029.db2.gz YHMRMNLQEDCNKO-SECBINFHSA-N -1 3 333.762 3.627 20 0 EHADHM CC[C@@](NCc1ccccc1OC(F)F)(C(=O)[O-])c1ccccc1 ZINC000736919567 600306193 /nfs/dbraw/zinc/30/61/93/600306193.db2.gz CIPXIWYIGDQTKF-SFHVURJKSA-N -1 3 335.350 3.768 20 0 EHADHM CCC[C@](C)(NCc1csc(COc2ccc(C)cc2)n1)C(=O)[O-] ZINC000340687370 600322191 /nfs/dbraw/zinc/32/21/91/600322191.db2.gz YVGACGVVUMXGMD-SFHVURJKSA-N -1 3 348.468 3.764 20 0 EHADHM O=C([O-])c1coc(CN2CCC(c3c[nH]c4cc(F)ccc43)CC2)c1 ZINC000740270844 600330984 /nfs/dbraw/zinc/33/09/84/600330984.db2.gz YBCQLJXKAYLXII-UHFFFAOYSA-N -1 3 342.370 3.978 20 0 EHADHM CCC(=O)Nc1cccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000736849903 600424733 /nfs/dbraw/zinc/42/47/33/600424733.db2.gz YEXUUOJWMWNFKA-QGZVFWFLSA-N -1 3 346.814 3.604 20 0 EHADHM O=C([O-])[C@H](NCc1ccc(Br)c(F)c1)c1ccccc1 ZINC000161307782 600430398 /nfs/dbraw/zinc/43/03/98/600430398.db2.gz GDHULFSVCVOHSW-CQSZACIVSA-N -1 3 338.176 3.504 20 0 EHADHM O=C([O-])c1cccc(CN2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000740221596 600431193 /nfs/dbraw/zinc/43/11/93/600431193.db2.gz UYWKDWFLZAUCOA-UHFFFAOYSA-N -1 3 333.391 3.550 20 0 EHADHM Fc1cc(C=Cc2ccc(-c3nnn[n-]3)cn2)cc(C(F)(F)F)c1 ZINC000822748364 607458408 /nfs/dbraw/zinc/45/84/08/607458408.db2.gz WAGKFJQKPZKWAP-HNQUOIGGSA-N -1 3 335.264 3.590 20 0 EHADHM Fc1cc(C=Cc2ccc(-c3nn[n-]n3)cn2)cc(C(F)(F)F)c1 ZINC000822748364 607458409 /nfs/dbraw/zinc/45/84/09/607458409.db2.gz WAGKFJQKPZKWAP-HNQUOIGGSA-N -1 3 335.264 3.590 20 0 EHADHM O=C([O-])c1cccc(OCCN2CCSC[C@@H]2c2ccccc2)c1 ZINC000565721490 600629554 /nfs/dbraw/zinc/62/95/54/600629554.db2.gz NICXBXIKOVROSH-GOSISDBHSA-N -1 3 343.448 3.554 20 0 EHADHM COc1ccc2c(c1)CCC[C@@H]2N[C@H](C(=O)[O-])c1ccccc1F ZINC000832493375 600744315 /nfs/dbraw/zinc/74/43/15/600744315.db2.gz ALUSNBGDCGGSDS-ROUUACIJSA-N -1 3 329.371 3.627 20 0 EHADHM O=C([O-])[C@H](N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1ccccc1F ZINC000833168008 600753264 /nfs/dbraw/zinc/75/32/64/600753264.db2.gz SABXILPHJSUEDR-DRZCJDIDSA-N -1 3 337.753 3.890 20 0 EHADHM CC(C)OCc1cccc(NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000820146637 607476476 /nfs/dbraw/zinc/47/64/76/607476476.db2.gz PQKVKRHIKJTQOM-UHFFFAOYSA-N -1 3 341.390 3.543 20 0 EHADHM CC(C)OCc1cccc(NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000820146637 607476478 /nfs/dbraw/zinc/47/64/78/607476478.db2.gz PQKVKRHIKJTQOM-UHFFFAOYSA-N -1 3 341.390 3.543 20 0 EHADHM COc1ccc(-c2nc(CNC(C)(C)CCC(=O)[O-])cs2)cc1 ZINC000832129539 601009941 /nfs/dbraw/zinc/00/99/41/601009941.db2.gz AWESIADSWDHBBD-UHFFFAOYSA-N -1 3 334.441 3.552 20 0 EHADHM Cc1ccc(CN[C@H](C(=O)[O-])c2ccccc2)c(OCC2CC2)c1 ZINC000832934313 601494595 /nfs/dbraw/zinc/49/45/95/601494595.db2.gz PYLVXSJKPPPQOU-IBGZPJMESA-N -1 3 325.408 3.699 20 0 EHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000566361930 601581729 /nfs/dbraw/zinc/58/17/29/601581729.db2.gz OMXDHUSNZMCRKJ-DOTOQJQBSA-N -1 3 343.423 3.763 20 0 EHADHM C[C@H](C(=O)[O-])[C@@H](NCc1cc2c(c(Cl)c1)OCO2)c1ccccc1 ZINC000826054701 601652502 /nfs/dbraw/zinc/65/25/02/601652502.db2.gz PKOMHBDXTAMWDS-MEDUHNTESA-N -1 3 347.798 3.620 20 0 EHADHM O=C([O-])c1sccc1CN1CCC(OCc2ccccc2)CC1 ZINC000383636134 601805329 /nfs/dbraw/zinc/80/53/29/601805329.db2.gz YQFMSPOIGCNLMN-UHFFFAOYSA-N -1 3 331.437 3.628 20 0 EHADHM Cc1nc([C@H](C)N2CC[C@@H](C(=O)[O-])C2)oc1-c1ccc(Cl)cc1 ZINC000576234148 602015059 /nfs/dbraw/zinc/01/50/59/602015059.db2.gz XFRFJAPNOCHZJM-WCQYABFASA-N -1 3 334.803 3.771 20 0 EHADHM Cc1cc(CN(Cc2ccccc2)CC2(O)CCCC2)oc1C(=O)[O-] ZINC000832881692 602340969 /nfs/dbraw/zinc/34/09/69/602340969.db2.gz KFLNUUDSWKLEIW-UHFFFAOYSA-N -1 3 343.423 3.594 20 0 EHADHM C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737722801 602536868 /nfs/dbraw/zinc/53/68/68/602536868.db2.gz XFRMRAVVBDRDLG-NSHDSACASA-N -1 3 346.349 3.720 20 0 EHADHM COc1cccc2cc(CNC[C@H](NC(=O)[O-])c3ccccc3)oc21 ZINC000829579625 603175797 /nfs/dbraw/zinc/17/57/97/603175797.db2.gz BYMHRIPZZKOUAL-INIZCTEOSA-N -1 3 340.379 3.540 20 0 EHADHM Fc1ccccc1Cc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826378307 607644925 /nfs/dbraw/zinc/64/49/25/607644925.db2.gz DIPNLCXPEWXJLH-UHFFFAOYSA-N -1 3 337.383 3.720 20 0 EHADHM Fc1ccccc1Cc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826378307 607644927 /nfs/dbraw/zinc/64/49/27/607644927.db2.gz DIPNLCXPEWXJLH-UHFFFAOYSA-N -1 3 337.383 3.720 20 0 EHADHM COc1ccccc1[C@@H](NC1CCN(C(=O)[O-])CC1)c1ccccc1 ZINC000829611570 604192220 /nfs/dbraw/zinc/19/22/20/604192220.db2.gz PHJZFRORLGBTRM-IBGZPJMESA-N -1 3 340.423 3.517 20 0 EHADHM Cc1ccc(-c2cc(CN3CCC[C@@H]([C@@H](C)NC(=O)[O-])C3)on2)cc1 ZINC000830148729 604234528 /nfs/dbraw/zinc/23/45/28/604234528.db2.gz HGDCTXYDOMZCHN-GDBMZVCRSA-N -1 3 343.427 3.518 20 0 EHADHM C[C@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1cc(Cl)ccc1OC(F)F ZINC000827716983 604290835 /nfs/dbraw/zinc/29/08/35/604290835.db2.gz CMWZOXISDMMLIM-GXSJLCMTSA-N -1 3 348.777 3.734 20 0 EHADHM C[C@H](Oc1ccc(CN(Cc2cccc(F)c2)C2CC2)cc1)C(=O)[O-] ZINC000833539487 604533147 /nfs/dbraw/zinc/53/31/47/604533147.db2.gz ZNJNTXOQRDDSBF-AWEZNQCLSA-N -1 3 343.398 3.842 20 0 EHADHM C[C@@H](Oc1ccc(CN2CCc3ccccc3[C@@H]2C)cc1)C(=O)[O-] ZINC000833537813 604632907 /nfs/dbraw/zinc/63/29/07/604632907.db2.gz AUHBRCVDFUXION-LSDHHAIUSA-N -1 3 325.408 3.658 20 0 EHADHM O=C([O-])[C@H]1CC12CCN(Cc1ccc(SC(F)(F)F)cc1)CC2 ZINC000405373634 604649389 /nfs/dbraw/zinc/64/93/89/604649389.db2.gz RMYFQYIQFJZKJF-CYBMUJFWSA-N -1 3 345.386 3.985 20 0 EHADHM CCc1csc([C@@H]2CCCN(Cc3ccc(C(=O)[O-])cc3F)C2)n1 ZINC000564738401 604753606 /nfs/dbraw/zinc/75/36/06/604753606.db2.gz ATMRGPXFDZRKBG-CQSZACIVSA-N -1 3 348.443 3.922 20 0 EHADHM O=C([O-])[C@H](NCc1ccc(OCc2ccccc2)cc1)c1cccnc1 ZINC000833169031 604993626 /nfs/dbraw/zinc/99/36/26/604993626.db2.gz CBWFJBPZLRFMNO-HXUWFJFHSA-N -1 3 348.402 3.576 20 0 EHADHM Cc1cccc(-c2cccc(CN[C@H](C(=O)[O-])c3cccnc3)c2)c1 ZINC000832960718 604999529 /nfs/dbraw/zinc/99/95/29/604999529.db2.gz XHCURRRWSIBLLA-FQEVSTJZSA-N -1 3 332.403 3.973 20 0 EHADHM Cc1cccc(-c2ccc(CN[C@H](C(=O)[O-])c3cccnc3)cc2)c1 ZINC000832960713 605003540 /nfs/dbraw/zinc/00/35/40/605003540.db2.gz XEJWCCQFUKBOQM-FQEVSTJZSA-N -1 3 332.403 3.973 20 0 EHADHM C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCC[C@@H](C(=O)[O-])C1 ZINC000565107062 605065288 /nfs/dbraw/zinc/06/52/88/605065288.db2.gz SXYCPEIGZSDAEN-WCQYABFASA-N -1 3 334.803 3.853 20 0 EHADHM C[C@@H](Oc1ccc(CNC(C)(C)c2ccc(F)cc2)cc1)C(=O)[O-] ZINC000833541764 605090938 /nfs/dbraw/zinc/09/09/38/605090938.db2.gz SQJOTNCIOPBMSN-CYBMUJFWSA-N -1 3 331.387 3.703 20 0 EHADHM CCn1nc(C)c([C@H](C)NCc2ccc([C@H](C)NC(=O)[O-])cc2)c1C ZINC000827716680 605118652 /nfs/dbraw/zinc/11/86/52/605118652.db2.gz DHGGFVIBJPCUHD-STQMWFEESA-N -1 3 344.459 3.699 20 0 EHADHM CCc1oc(C(=O)[O-])cc1CN[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000833681331 605173962 /nfs/dbraw/zinc/17/39/62/605173962.db2.gz YGWWZDQXAHAWGH-RHSMWYFYSA-N -1 3 343.423 3.798 20 0 EHADHM C/C(=C\CN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1)C(=O)[O-] ZINC000833386600 605269387 /nfs/dbraw/zinc/26/93/87/605269387.db2.gz YNVFZTWQNWVSSK-VEMDQMBVSA-N -1 3 330.815 3.639 20 0 EHADHM O=C([O-])N[C@@H]1C[C@@H](NCc2cccc3cccnc32)c2ccccc21 ZINC000834159597 605798539 /nfs/dbraw/zinc/79/85/39/605798539.db2.gz VKLIOCVFVYHEFY-QZTJIDSGSA-N -1 3 333.391 3.778 20 0 EHADHM O=C([O-])NCCc1ccc(CN[C@H]2CCc3c2cc(F)cc3F)cc1 ZINC000834245444 605955810 /nfs/dbraw/zinc/95/58/10/605955810.db2.gz QXPYUXWPNATTKD-SFHVURJKSA-N -1 3 346.377 3.552 20 0 EHADHM c1ccc2c(c1)SC[C@@H]2Nc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000823802164 606088591 /nfs/dbraw/zinc/08/85/91/606088591.db2.gz IHZZIGKGEFINCH-HNNXBMFYSA-N -1 3 346.419 3.674 20 0 EHADHM c1ccc2c(c1)SC[C@@H]2Nc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000823802164 606088595 /nfs/dbraw/zinc/08/85/95/606088595.db2.gz IHZZIGKGEFINCH-HNNXBMFYSA-N -1 3 346.419 3.674 20 0 EHADHM CCN(Cc1nc(C)c(C)s1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821230053 606100594 /nfs/dbraw/zinc/10/05/94/606100594.db2.gz AOVAWDFTXYYNNT-GFCCVEGCSA-N -1 3 342.472 3.523 20 0 EHADHM O=C(CC1CCCCCC1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000822940714 606122440 /nfs/dbraw/zinc/12/24/40/606122440.db2.gz BNIHAVQWQGUBFW-UHFFFAOYSA-N -1 3 345.472 3.716 20 0 EHADHM O=C(CC1CCCCCC1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000822940714 606122442 /nfs/dbraw/zinc/12/24/42/606122442.db2.gz BNIHAVQWQGUBFW-UHFFFAOYSA-N -1 3 345.472 3.716 20 0 EHADHM CCC(CC)N(CC(C)C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820897800 606324235 /nfs/dbraw/zinc/32/42/35/606324235.db2.gz OBBJYPRBIBEZAB-VAWYXSNFSA-N -1 3 341.459 3.553 20 0 EHADHM CCC(CC)N(CC(C)C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820897800 606324237 /nfs/dbraw/zinc/32/42/37/606324237.db2.gz OBBJYPRBIBEZAB-VAWYXSNFSA-N -1 3 341.459 3.553 20 0 EHADHM C[C@@H](OC(=O)C[C@H]1CCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488351 606342081 /nfs/dbraw/zinc/34/20/81/606342081.db2.gz MYFUKZQKUNRZCQ-CXAGYDPISA-N -1 3 348.406 3.591 20 0 EHADHM C[C@@H](OC(=O)C[C@H]1CCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488351 606342082 /nfs/dbraw/zinc/34/20/82/606342082.db2.gz MYFUKZQKUNRZCQ-CXAGYDPISA-N -1 3 348.406 3.591 20 0 EHADHM C[C@H](OC(=O)c1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820502274 606342914 /nfs/dbraw/zinc/34/29/14/606342914.db2.gz OURQPQULCWGCOZ-VIFPVBQESA-N -1 3 346.749 3.577 20 0 EHADHM C[C@H](OC(=O)c1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820502274 606342917 /nfs/dbraw/zinc/34/29/17/606342917.db2.gz OURQPQULCWGCOZ-VIFPVBQESA-N -1 3 346.749 3.577 20 0 EHADHM c1ccc(Cc2ccc(Oc3ncccc3-c3nnn[n-]3)cc2)cc1 ZINC000823787351 606431637 /nfs/dbraw/zinc/43/16/37/606431637.db2.gz LNEXJDXLZHMSPG-UHFFFAOYSA-N -1 3 329.363 3.645 20 0 EHADHM c1ccc([C@H](Nc2cc(-c3nnn[n-]3)c3ccccc3n2)C2CC2)cc1 ZINC000823773232 606445746 /nfs/dbraw/zinc/44/57/46/606445746.db2.gz SCQGZUGRMAGLIK-IBGZPJMESA-N -1 3 342.406 3.978 20 0 EHADHM c1ccc([C@H](Nc2cc(-c3nn[n-]n3)c3ccccc3n2)C2CC2)cc1 ZINC000823773232 606445747 /nfs/dbraw/zinc/44/57/47/606445747.db2.gz SCQGZUGRMAGLIK-IBGZPJMESA-N -1 3 342.406 3.978 20 0 EHADHM Clc1cc(N2CCC[C@H]2c2ccccc2)ccc1-c1nnn[n-]1 ZINC000822568026 606446612 /nfs/dbraw/zinc/44/66/12/606446612.db2.gz KJUFKXHSWZWUCD-INIZCTEOSA-N -1 3 325.803 3.862 20 0 EHADHM Clc1cc(N2CCC[C@H]2c2ccccc2)ccc1-c1nn[n-]n1 ZINC000822568026 606446614 /nfs/dbraw/zinc/44/66/14/606446614.db2.gz KJUFKXHSWZWUCD-INIZCTEOSA-N -1 3 325.803 3.862 20 0 EHADHM Cc1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)cc1OC(F)F ZINC000822254507 606458841 /nfs/dbraw/zinc/45/88/41/606458841.db2.gz LSQPCYWENQCBOK-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM Cc1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)cc1OC(F)F ZINC000822254507 606458843 /nfs/dbraw/zinc/45/88/43/606458843.db2.gz LSQPCYWENQCBOK-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM CCc1ccc(CC)c(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000821480344 606459891 /nfs/dbraw/zinc/45/98/91/606459891.db2.gz BMIALBQMXAAFMS-QXMHVHEDSA-N -1 3 347.422 3.643 20 0 EHADHM CCc1ccc(CC)c(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000821480344 606459892 /nfs/dbraw/zinc/45/98/92/606459892.db2.gz BMIALBQMXAAFMS-QXMHVHEDSA-N -1 3 347.422 3.643 20 0 EHADHM CCN(C(=O)c1cc(-c2nnn[n-]2)cs1)c1cccc2ccccc21 ZINC000821155482 606493038 /nfs/dbraw/zinc/49/30/38/606493038.db2.gz ZSHPCMSDQTXNLC-UHFFFAOYSA-N -1 3 349.419 3.748 20 0 EHADHM CCN(C(=O)c1cc(-c2nn[n-]n2)cs1)c1cccc2ccccc21 ZINC000821155482 606493040 /nfs/dbraw/zinc/49/30/40/606493040.db2.gz ZSHPCMSDQTXNLC-UHFFFAOYSA-N -1 3 349.419 3.748 20 0 EHADHM FC(F)(F)CCc1ccc(Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000822714947 606610441 /nfs/dbraw/zinc/61/04/41/606610441.db2.gz XBBGPVXCDFZZDC-UHFFFAOYSA-N -1 3 334.305 3.500 20 0 EHADHM FC(F)(F)CCc1ccc(Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000822714947 606610443 /nfs/dbraw/zinc/61/04/43/606610443.db2.gz XBBGPVXCDFZZDC-UHFFFAOYSA-N -1 3 334.305 3.500 20 0 EHADHM Cc1ccc(/C=C/CC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000822233402 606619786 /nfs/dbraw/zinc/61/97/86/606619786.db2.gz ODEUSNYGARIWSQ-ONEGZZNKSA-N -1 3 333.395 3.526 20 0 EHADHM Cc1ccc(/C=C/CC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000822233402 606619788 /nfs/dbraw/zinc/61/97/88/606619788.db2.gz ODEUSNYGARIWSQ-ONEGZZNKSA-N -1 3 333.395 3.526 20 0 EHADHM CCc1ccc(C(C)(C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000821477066 606630011 /nfs/dbraw/zinc/63/00/11/606630011.db2.gz XCURGPNWHHGASN-UHFFFAOYSA-N -1 3 349.438 3.654 20 0 EHADHM CCc1ccc(C(C)(C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000821477066 606630012 /nfs/dbraw/zinc/63/00/12/606630012.db2.gz XCURGPNWHHGASN-UHFFFAOYSA-N -1 3 349.438 3.654 20 0 EHADHM FC(F)c1cccc(NCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822736294 606864306 /nfs/dbraw/zinc/86/43/06/606864306.db2.gz CXWXMDFSFBTFOS-UHFFFAOYSA-N -1 3 345.353 3.685 20 0 EHADHM FC(F)c1cccc(NCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822736294 606864308 /nfs/dbraw/zinc/86/43/08/606864308.db2.gz CXWXMDFSFBTFOS-UHFFFAOYSA-N -1 3 345.353 3.685 20 0 EHADHM CC(C)CN(C/C(Cl)=C\Cl)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820086934 606921680 /nfs/dbraw/zinc/92/16/80/606921680.db2.gz IMERNQPJHBPEFC-VGOFMYFVSA-N -1 3 340.258 3.644 20 0 EHADHM Fc1ccc(CNc2cccc(Cl)c2Cl)cc1-c1nnn[n-]1 ZINC000822771082 606926459 /nfs/dbraw/zinc/92/64/59/606926459.db2.gz AMZAYHVXBYCCJT-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM Fc1ccc(CNc2cccc(Cl)c2Cl)cc1-c1nn[n-]n1 ZINC000822771082 606926461 /nfs/dbraw/zinc/92/64/61/606926461.db2.gz AMZAYHVXBYCCJT-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM FC(F)(F)c1ccc(N2CCC[C@H]2c2ccco2)c(-c2nnn[n-]2)c1 ZINC000822723711 606937793 /nfs/dbraw/zinc/93/77/93/606937793.db2.gz LQQBODURSBPJLT-ZDUSSCGKSA-N -1 3 349.316 3.820 20 0 EHADHM FC(F)(F)c1ccc(N2CCC[C@H]2c2ccco2)c(-c2nn[n-]n2)c1 ZINC000822723711 606937795 /nfs/dbraw/zinc/93/77/95/606937795.db2.gz LQQBODURSBPJLT-ZDUSSCGKSA-N -1 3 349.316 3.820 20 0 EHADHM C[C@H](CC1CCCC1)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820235934 606961966 /nfs/dbraw/zinc/96/19/66/606961966.db2.gz VITMOPYOCUKZNK-LLVKDONJSA-N -1 3 347.850 3.699 20 0 EHADHM C[C@H](CC1CCCC1)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820235934 606961968 /nfs/dbraw/zinc/96/19/68/606961968.db2.gz VITMOPYOCUKZNK-LLVKDONJSA-N -1 3 347.850 3.699 20 0 EHADHM C[C@@H]1CCCC[C@H]1CC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820698211 606964055 /nfs/dbraw/zinc/96/40/55/606964055.db2.gz RFTKHTMRUKGJNQ-NEPJUHHUSA-N -1 3 347.850 3.699 20 0 EHADHM C[C@@H]1CCCC[C@H]1CC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820698211 606964056 /nfs/dbraw/zinc/96/40/56/606964056.db2.gz RFTKHTMRUKGJNQ-NEPJUHHUSA-N -1 3 347.850 3.699 20 0 EHADHM CC[C@@H](CC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1)C(C)C ZINC000820882173 606964476 /nfs/dbraw/zinc/96/44/76/606964476.db2.gz LUMWSCLJUVFQML-NSHDSACASA-N -1 3 335.839 3.555 20 0 EHADHM CC[C@@H](CC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1)C(C)C ZINC000820882173 606964477 /nfs/dbraw/zinc/96/44/77/606964477.db2.gz LUMWSCLJUVFQML-NSHDSACASA-N -1 3 335.839 3.555 20 0 EHADHM CCN(C(=O)C[C@@H]1CC[C@@H](C)C1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821148971 607032497 /nfs/dbraw/zinc/03/24/97/607032497.db2.gz RJHVJXDWIGSOJA-RBSFLKMASA-N -1 3 341.459 3.603 20 0 EHADHM CCN(C(=O)C[C@@H]1CC[C@@H](C)C1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821148971 607032500 /nfs/dbraw/zinc/03/25/00/607032500.db2.gz RJHVJXDWIGSOJA-RBSFLKMASA-N -1 3 341.459 3.603 20 0 EHADHM CCC(CC)CC(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820892911 607032636 /nfs/dbraw/zinc/03/26/36/607032636.db2.gz GXWHYTZMDHEJDU-ZDUSSCGKSA-N -1 3 329.448 3.603 20 0 EHADHM CCC(CC)CC(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820892911 607032639 /nfs/dbraw/zinc/03/26/39/607032639.db2.gz GXWHYTZMDHEJDU-ZDUSSCGKSA-N -1 3 329.448 3.603 20 0 EHADHM Clc1ccc(N[C@@H]2CCOC3(CCCCC3)C2)c(-c2nnn[n-]2)c1 ZINC000822578680 607131094 /nfs/dbraw/zinc/13/10/94/607131094.db2.gz NUVWVVOSOAHBJA-CYBMUJFWSA-N -1 3 347.850 3.814 20 0 EHADHM Clc1ccc(N[C@@H]2CCOC3(CCCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000822578680 607131095 /nfs/dbraw/zinc/13/10/95/607131095.db2.gz NUVWVVOSOAHBJA-CYBMUJFWSA-N -1 3 347.850 3.814 20 0 EHADHM c1ccc(-c2ncccc2NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826519313 607843324 /nfs/dbraw/zinc/84/33/24/607843324.db2.gz TVSBTXQULMFWCJ-UHFFFAOYSA-N -1 3 328.379 3.541 20 0 EHADHM c1ccc(-c2ncccc2NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826519313 607843325 /nfs/dbraw/zinc/84/33/25/607843325.db2.gz TVSBTXQULMFWCJ-UHFFFAOYSA-N -1 3 328.379 3.541 20 0 EHADHM Clc1cc(-c2nnn[n-]2)ccc1SCCCCCn1cccn1 ZINC000826350901 607844666 /nfs/dbraw/zinc/84/46/66/607844666.db2.gz PJXAGWQIRAMYEC-UHFFFAOYSA-N -1 3 348.863 3.679 20 0 EHADHM Clc1cc(-c2nn[n-]n2)ccc1SCCCCCn1cccn1 ZINC000826350901 607844667 /nfs/dbraw/zinc/84/46/67/607844667.db2.gz PJXAGWQIRAMYEC-UHFFFAOYSA-N -1 3 348.863 3.679 20 0 EHADHM CC(=Cc1ccccc1Cl)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000823942517 607921261 /nfs/dbraw/zinc/92/12/61/607921261.db2.gz FACZAPBYRDOTMD-HJWRWDBZSA-N -1 3 345.815 3.624 20 0 EHADHM CC(=Cc1ccccc1Cl)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000823942517 607921262 /nfs/dbraw/zinc/92/12/62/607921262.db2.gz FACZAPBYRDOTMD-HJWRWDBZSA-N -1 3 345.815 3.624 20 0 EHADHM CSc1c(F)cc(NCc2ccc(-c3nnn[n-]3)s2)cc1F ZINC000826229927 608134765 /nfs/dbraw/zinc/13/47/65/608134765.db2.gz WYRGCHPYXJIZTK-UHFFFAOYSA-N -1 3 339.396 3.540 20 0 EHADHM C[C@H](NCc1cscc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000824626151 608136284 /nfs/dbraw/zinc/13/62/84/608136284.db2.gz MRXZAMNEDPGYTK-QMMMGPOBSA-N -1 3 337.811 3.572 20 0 EHADHM C[C@H](NCc1cscc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000824626151 608136285 /nfs/dbraw/zinc/13/62/85/608136285.db2.gz MRXZAMNEDPGYTK-QMMMGPOBSA-N -1 3 337.811 3.572 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(C)(C)C1CCCCC1 ZINC000826277424 608293992 /nfs/dbraw/zinc/29/39/92/608293992.db2.gz UKURQBSRKGVMFB-UHFFFAOYSA-N -1 3 327.432 3.720 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)(C)C1CCCCC1 ZINC000826277424 608293993 /nfs/dbraw/zinc/29/39/93/608293993.db2.gz UKURQBSRKGVMFB-UHFFFAOYSA-N -1 3 327.432 3.720 20 0 EHADHM Fc1ccc2c(c1)CCC[C@H]2Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000826375912 608307022 /nfs/dbraw/zinc/30/70/22/608307022.db2.gz GWKSDMFYBXEPIG-CQSZACIVSA-N -1 3 344.781 3.544 20 0 EHADHM Fc1ccc2c(c1)CCC[C@H]2Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000826375912 608307025 /nfs/dbraw/zinc/30/70/25/608307025.db2.gz GWKSDMFYBXEPIG-CQSZACIVSA-N -1 3 344.781 3.544 20 0 EHADHM CC[C@@H](NCc1cccc(-c2nnn[n-]2)c1F)c1ccc(F)cc1F ZINC000825148383 608535262 /nfs/dbraw/zinc/53/52/62/608535262.db2.gz QHFNYFIZGFWEGE-OAHLLOKOSA-N -1 3 347.344 3.525 20 0 EHADHM CC[C@@H](NCc1cccc(-c2nn[n-]n2)c1F)c1ccc(F)cc1F ZINC000825148383 608535263 /nfs/dbraw/zinc/53/52/63/608535263.db2.gz QHFNYFIZGFWEGE-OAHLLOKOSA-N -1 3 347.344 3.525 20 0 EHADHM C[C@@H](N[C@@H](C)c1cccc(F)c1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824532240 609155363 /nfs/dbraw/zinc/15/53/63/609155363.db2.gz SWVMRLBNYVRABR-ZJUUUORDSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@@H](N[C@@H](C)c1cccc(F)c1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824532240 609155365 /nfs/dbraw/zinc/15/53/65/609155365.db2.gz SWVMRLBNYVRABR-ZJUUUORDSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@H](Nc1ccc(N2CCCC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824655509 609162095 /nfs/dbraw/zinc/16/20/95/609162095.db2.gz CYVVQWKQYKXQHO-AWEZNQCLSA-N -1 3 334.427 3.640 20 0 EHADHM C[C@H](Nc1ccc(N2CCCC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824655509 609162097 /nfs/dbraw/zinc/16/20/97/609162097.db2.gz CYVVQWKQYKXQHO-AWEZNQCLSA-N -1 3 334.427 3.640 20 0 EHADHM CC(C)C[C@@H]1C[C@@H](Nc2c(Cl)cccc2-c2nnn[n-]2)CCO1 ZINC000824243037 609170272 /nfs/dbraw/zinc/17/02/72/609170272.db2.gz CVZWDSOXGVVXRU-NWDGAFQWSA-N -1 3 335.839 3.526 20 0 EHADHM CC(C)C[C@@H]1C[C@@H](Nc2c(Cl)cccc2-c2nn[n-]n2)CCO1 ZINC000824243037 609170274 /nfs/dbraw/zinc/17/02/74/609170274.db2.gz CVZWDSOXGVVXRU-NWDGAFQWSA-N -1 3 335.839 3.526 20 0 EHADHM CCOc1cc(F)ccc1N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825615628 609251665 /nfs/dbraw/zinc/25/16/65/609251665.db2.gz DDAOFPHHEHICNC-LLVKDONJSA-N -1 3 327.363 3.578 20 0 EHADHM CCOc1cc(F)ccc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825615628 609251666 /nfs/dbraw/zinc/25/16/66/609251666.db2.gz DDAOFPHHEHICNC-LLVKDONJSA-N -1 3 327.363 3.578 20 0 EHADHM CCc1ccc2nc(NCc3cc(-c4nnn[n-]4)cs3)sc2c1 ZINC000825717089 609264140 /nfs/dbraw/zinc/26/41/40/609264140.db2.gz FSLCHMNWBWBESC-UHFFFAOYSA-N -1 3 342.453 3.712 20 0 EHADHM CCc1ccc2nc(NCc3cc(-c4nn[n-]n4)cs3)sc2c1 ZINC000825717089 609264141 /nfs/dbraw/zinc/26/41/41/609264141.db2.gz FSLCHMNWBWBESC-UHFFFAOYSA-N -1 3 342.453 3.712 20 0 EHADHM Cc1nc2cc(Nc3ncc(-c4nnn[n-]4)cc3Cl)ccc2s1 ZINC000826329098 609316881 /nfs/dbraw/zinc/31/68/81/609316881.db2.gz QBRZKHCDCZSJTM-UHFFFAOYSA-N -1 3 343.803 3.577 20 0 EHADHM Cc1nc2cc(Nc3ncc(-c4nn[n-]n4)cc3Cl)ccc2s1 ZINC000826329098 609316883 /nfs/dbraw/zinc/31/68/83/609316883.db2.gz QBRZKHCDCZSJTM-UHFFFAOYSA-N -1 3 343.803 3.577 20 0 EHADHM C[C@H](NCc1ccc([C@H]2C[C@@H]2C)o1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824614236 609327845 /nfs/dbraw/zinc/32/78/45/609327845.db2.gz ZUJVGRKSKWQKLI-PGUXBMHVSA-N -1 3 341.390 3.573 20 0 EHADHM C[C@H](NCc1ccc([C@H]2C[C@@H]2C)o1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824614236 609327847 /nfs/dbraw/zinc/32/78/47/609327847.db2.gz ZUJVGRKSKWQKLI-PGUXBMHVSA-N -1 3 341.390 3.573 20 0 EHADHM FC(F)(F)c1cc(SC[C@@H]2CCCCO2)ccc1-c1nnn[n-]1 ZINC000826368436 609451235 /nfs/dbraw/zinc/45/12/35/609451235.db2.gz PNDRDRSFWBOQRR-VIFPVBQESA-N -1 3 344.362 3.547 20 0 EHADHM FC(F)(F)c1cc(SC[C@@H]2CCCCO2)ccc1-c1nn[n-]n1 ZINC000826368436 609451236 /nfs/dbraw/zinc/45/12/36/609451236.db2.gz PNDRDRSFWBOQRR-VIFPVBQESA-N -1 3 344.362 3.547 20 0 EHADHM CC[C@H](C)C(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825049505 609452443 /nfs/dbraw/zinc/45/24/43/609452443.db2.gz BSPCINPIBXDHID-QMMMGPOBSA-N -1 3 344.362 3.593 20 0 EHADHM CC[C@H](C)C(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825049505 609452445 /nfs/dbraw/zinc/45/24/45/609452445.db2.gz BSPCINPIBXDHID-QMMMGPOBSA-N -1 3 344.362 3.593 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1cnc(C(C)(C)C)s1 ZINC000826278766 609479344 /nfs/dbraw/zinc/47/93/44/609479344.db2.gz RINKTIQXPJCHFD-UHFFFAOYSA-N -1 3 328.445 3.541 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1cnc(C(C)(C)C)s1 ZINC000826278766 609479347 /nfs/dbraw/zinc/47/93/47/609479347.db2.gz RINKTIQXPJCHFD-UHFFFAOYSA-N -1 3 328.445 3.541 20 0 EHADHM COc1cccc2cc(CNc3cc(-c4nnn[n-]4)ccc3C)oc21 ZINC000826218105 609479736 /nfs/dbraw/zinc/47/97/36/609479736.db2.gz PENCCBWTZYTABN-UHFFFAOYSA-N -1 3 335.367 3.542 20 0 EHADHM COc1cccc2cc(CNc3cc(-c4nn[n-]n4)ccc3C)oc21 ZINC000826218105 609479737 /nfs/dbraw/zinc/47/97/37/609479737.db2.gz PENCCBWTZYTABN-UHFFFAOYSA-N -1 3 335.367 3.542 20 0 EHADHM Cc1c(Cl)cnc(Oc2ccc(Cl)cc2F)c1-c1nnn[n-]1 ZINC000826240893 609522397 /nfs/dbraw/zinc/52/23/97/609522397.db2.gz KNLASQIASODCJI-UHFFFAOYSA-N -1 3 340.145 3.808 20 0 EHADHM Cc1c(Cl)cnc(N2CCC[C@H]2c2cccs2)c1-c1nnn[n-]1 ZINC000826237566 609522797 /nfs/dbraw/zinc/52/27/97/609522797.db2.gz DMGKPOCNMZBHMW-NSHDSACASA-N -1 3 346.847 3.627 20 0 EHADHM Cc1c(Cl)cnc(N2CCC[C@H]2c2cccs2)c1-c1nn[n-]n1 ZINC000826237566 609522799 /nfs/dbraw/zinc/52/27/99/609522799.db2.gz DMGKPOCNMZBHMW-NSHDSACASA-N -1 3 346.847 3.627 20 0 EHADHM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000758160060 945269709 /nfs/dbraw/zinc/26/97/09/945269709.db2.gz QYJPSFDUNKGUCM-LUAWRHEFSA-N -1 3 339.786 3.562 20 0 EHADHM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000758160060 945269714 /nfs/dbraw/zinc/26/97/14/945269714.db2.gz QYJPSFDUNKGUCM-LUAWRHEFSA-N -1 3 339.786 3.562 20 0 EHADHM CC(C)(C)c1ccc(CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000073700363 944607555 /nfs/dbraw/zinc/60/75/55/944607555.db2.gz LMMFDTLZHSPFGK-UHFFFAOYSA-N -1 3 349.438 3.736 20 0 EHADHM CC(C)(C)c1ccc(CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000073700363 944607558 /nfs/dbraw/zinc/60/75/58/944607558.db2.gz LMMFDTLZHSPFGK-UHFFFAOYSA-N -1 3 349.438 3.736 20 0 EHADHM CCSc1ccc([C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000821461090 945699516 /nfs/dbraw/zinc/69/95/16/945699516.db2.gz JKWLFHAMUKWUQS-LLVKDONJSA-N -1 3 326.429 3.547 20 0 EHADHM CCSc1ccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000821461090 945699523 /nfs/dbraw/zinc/69/95/23/945699523.db2.gz JKWLFHAMUKWUQS-LLVKDONJSA-N -1 3 326.429 3.547 20 0 EHADHM FC(F)(F)CCc1ccccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000822718895 946166389 /nfs/dbraw/zinc/16/63/89/946166389.db2.gz STJJESWXUAJATF-UHFFFAOYSA-N -1 3 347.344 3.974 20 0 EHADHM FC(F)(F)CCc1ccccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000822718895 946166401 /nfs/dbraw/zinc/16/64/01/946166401.db2.gz STJJESWXUAJATF-UHFFFAOYSA-N -1 3 347.344 3.974 20 0 EHADHM O=Cc1c(OCc2cc(F)ccc2-c2nnn[n-]2)ccc2ccccc21 ZINC000823551606 946445888 /nfs/dbraw/zinc/44/58/88/946445888.db2.gz XAJOHUODXGXSDW-UHFFFAOYSA-N -1 3 348.337 3.551 20 0 EHADHM O=Cc1c(OCc2cc(F)ccc2-c2nn[n-]n2)ccc2ccccc21 ZINC000823551606 946445894 /nfs/dbraw/zinc/44/58/94/946445894.db2.gz XAJOHUODXGXSDW-UHFFFAOYSA-N -1 3 348.337 3.551 20 0 EHADHM C[C@@H](NC(=O)C1(C)CC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824472969 946728280 /nfs/dbraw/zinc/72/82/80/946728280.db2.gz XVCUYWHOQQCECX-CYBMUJFWSA-N -1 3 347.422 3.511 20 0 EHADHM C[C@@H](NC(=O)C1(C)CC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824472969 946728286 /nfs/dbraw/zinc/72/82/86/946728286.db2.gz XVCUYWHOQQCECX-CYBMUJFWSA-N -1 3 347.422 3.511 20 0 EHADHM C/C=C(\C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825029036 947050342 /nfs/dbraw/zinc/05/03/42/947050342.db2.gz LWGBTXFOPONYOQ-QJIMOZNHSA-N -1 3 347.422 3.677 20 0 EHADHM C/C=C(\C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825029036 947050355 /nfs/dbraw/zinc/05/03/55/947050355.db2.gz LWGBTXFOPONYOQ-QJIMOZNHSA-N -1 3 347.422 3.677 20 0 EHADHM CCCCC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825260411 947132606 /nfs/dbraw/zinc/13/26/06/947132606.db2.gz PAXHRCPXJZLSMU-CQSZACIVSA-N -1 3 349.438 3.901 20 0 EHADHM CCCCC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825260411 947132612 /nfs/dbraw/zinc/13/26/12/947132612.db2.gz PAXHRCPXJZLSMU-CQSZACIVSA-N -1 3 349.438 3.901 20 0 EHADHM Cc1c(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cnn1-c1ccccc1 ZINC000826242379 947721125 /nfs/dbraw/zinc/72/11/25/947721125.db2.gz MJVGNNZEHKFTPC-ZDUSSCGKSA-N -1 3 345.410 3.534 20 0 EHADHM Cc1c(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cnn1-c1ccccc1 ZINC000826242379 947721130 /nfs/dbraw/zinc/72/11/30/947721130.db2.gz MJVGNNZEHKFTPC-ZDUSSCGKSA-N -1 3 345.410 3.534 20 0 EHADHM Clc1ccc2nc(NCc3ccc(-c4nnn[n-]4)cc3)sc2c1 ZINC000826353001 948102768 /nfs/dbraw/zinc/10/27/68/948102768.db2.gz XFBZRHIDWWPZFI-UHFFFAOYSA-N -1 3 342.815 3.742 20 0 EHADHM Clc1ccc2nc(NCc3ccc(-c4nn[n-]n4)cc3)sc2c1 ZINC000826353001 948102770 /nfs/dbraw/zinc/10/27/70/948102770.db2.gz XFBZRHIDWWPZFI-UHFFFAOYSA-N -1 3 342.815 3.742 20 0 EHADHM Clc1ncc(CSc2cccc(Cl)c2-c2nnn[n-]2)s1 ZINC000826353828 948104794 /nfs/dbraw/zinc/10/47/94/948104794.db2.gz FPOXUYGZPGPGJN-UHFFFAOYSA-N -1 3 344.252 3.922 20 0 EHADHM Clc1ncc(CSc2cccc(Cl)c2-c2nn[n-]n2)s1 ZINC000826353828 948104803 /nfs/dbraw/zinc/10/48/03/948104803.db2.gz FPOXUYGZPGPGJN-UHFFFAOYSA-N -1 3 344.252 3.922 20 0 EHADHM O=C([O-])CC[C@H]1CCCCN1Cc1cccc(Br)c1 ZINC000050924775 948920343 /nfs/dbraw/zinc/92/03/43/948920343.db2.gz XBRHAWCZYDGDST-CQSZACIVSA-N -1 3 326.234 3.668 20 0 EHADHM CCCOc1cc(CN[C@@H](C(=O)[O-])c2cccc(C)c2)ccc1OC ZINC001589679888 950031414 /nfs/dbraw/zinc/03/14/14/950031414.db2.gz ALUWCSCZZPHXMO-LJQANCHMSA-N -1 3 343.423 3.708 20 0 EHADHM CC(C)CC1(C(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2F)CCCC1 ZINC001574167319 950482336 /nfs/dbraw/zinc/48/23/36/950482336.db2.gz ADBPPORXIUPARV-UHFFFAOYSA-N -1 3 349.385 3.690 20 0 EHADHM CC(C)CC1(C(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2F)CCCC1 ZINC001574167319 950482348 /nfs/dbraw/zinc/48/23/48/950482348.db2.gz ADBPPORXIUPARV-UHFFFAOYSA-N -1 3 349.385 3.690 20 0 EHADHM C[C@@H](c1cccc(Br)c1)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000302493634 950567161 /nfs/dbraw/zinc/56/71/61/950567161.db2.gz JMYQHPXCLLSKLI-UHIISALHSA-N -1 3 326.234 3.553 20 0 EHADHM C[C@H](Cc1ccc(F)cc1Cl)Nc1cccc(-c2nnn[n-]2)c1 ZINC001575189049 952454949 /nfs/dbraw/zinc/45/49/49/952454949.db2.gz MWIQFWCUFZQZIG-SNVBAGLBSA-N -1 3 331.782 3.702 20 0 EHADHM C[C@H](Cc1ccc(F)cc1Cl)Nc1cccc(-c2nn[n-]n2)c1 ZINC001575189049 952454955 /nfs/dbraw/zinc/45/49/55/952454955.db2.gz MWIQFWCUFZQZIG-SNVBAGLBSA-N -1 3 331.782 3.702 20 0 EHADHM O=C([O-])CC[C@H]1CCCN(Cc2ccc(-c3ncco3)cc2F)C1 ZINC000652494811 954088278 /nfs/dbraw/zinc/08/82/78/954088278.db2.gz AFWBDAIMCDIBNZ-CYBMUJFWSA-N -1 3 332.375 3.558 20 0 EHADHM O=C([O-])[C@@H]1CN(CCc2ccc(F)cc2Cl)Cc2ccccc21 ZINC000901622051 956382594 /nfs/dbraw/zinc/38/25/94/956382594.db2.gz MEDAPRYORXQNRC-MRXNPFEDSA-N -1 3 333.790 3.706 20 0 EHADHM O=C([O-])CN(Cc1cc(Cl)ccc1Br)C1CCCC1 ZINC000090252725 958095994 /nfs/dbraw/zinc/09/59/94/958095994.db2.gz IOSKGOUEWYXYLO-UHFFFAOYSA-N -1 3 346.652 3.932 20 0 EHADHM Cc1ccc(CN2CCC[C@@H](CCC(=O)[O-])C2)cc1Br ZINC000097902155 958352386 /nfs/dbraw/zinc/35/23/86/958352386.db2.gz LRINDLRHFXMAEY-ZDUSSCGKSA-N -1 3 340.261 3.834 20 0 EHADHM Cc1nn(-c2cccc(C)c2)cc1CN[C@](C)(C(=O)[O-])c1ccccc1 ZINC001594386508 958678498 /nfs/dbraw/zinc/67/84/98/958678498.db2.gz LWLCLCXQLAICEN-NRFANRHFSA-N -1 3 349.434 3.579 20 0 EHADHM O=C([O-])COc1ccc(CN2CCC[C@H]2c2cccc(F)c2)cc1 ZINC001138924819 960492147 /nfs/dbraw/zinc/49/21/47/960492147.db2.gz AINKKVSEWKIMIR-SFHVURJKSA-N -1 3 329.371 3.626 20 0 EHADHM Cc1ccc(-c2csc(CN3CC[C@H](C(=O)[O-])[C@@H](C)C3)n2)cc1 ZINC001574347154 960967974 /nfs/dbraw/zinc/96/79/74/960967974.db2.gz CAUFCQSZNMKWPM-ZFWWWQNUSA-N -1 3 330.453 3.661 20 0 EHADHM Cc1cccc([C@@H](NCc2cccc3c2OC(C)(C)C3)C(=O)[O-])c1 ZINC001574395249 961210666 /nfs/dbraw/zinc/21/06/66/961210666.db2.gz 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Cc1cccnc1[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)C(C)(C)C ZINC000893112927 1018539403 /nfs/dbraw/zinc/53/94/03/1018539403.db2.gz DRLRHPMDLYQCRZ-QGZVFWFLSA-N -1 3 345.418 3.821 20 0 EHADHM Cc1ccccc1[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)CCO1 ZINC000377929701 1018559667 /nfs/dbraw/zinc/55/96/67/1018559667.db2.gz WQJHMKRXDUWGCZ-KRWDZBQOSA-N -1 3 331.799 3.568 20 0 EHADHM CC(C)c1ccc(OCCNC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000606644746 1032777640 /nfs/dbraw/zinc/77/76/40/1032777640.db2.gz AKDJHGOPXZVSQJ-UHFFFAOYSA-N -1 3 346.402 3.533 20 0 EHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000606714729 1032818260 /nfs/dbraw/zinc/81/82/60/1032818260.db2.gz DLXORJFALVFAMQ-KRWDZBQOSA-N -1 3 342.414 3.696 20 0 EHADHM CCN(Cc1ccc(Cl)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000606718393 1032817711 /nfs/dbraw/zinc/81/77/11/1032817711.db2.gz BZZMPRMBBPNADY-UHFFFAOYSA-N -1 3 336.794 3.916 20 0 EHADHM Cc1ccc(C[C@@H]2CCCN2C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000606714661 1032817754 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EHADHM O=C([O-])[C@]1(C(F)(F)F)CCN(C/C=C/c2ccc(Cl)cc2)C1 ZINC000516657402 1021632530 /nfs/dbraw/zinc/63/25/30/1021632530.db2.gz ZDBZICIZPYKAKC-YUKKFKLSSA-N -1 3 333.737 3.692 20 0 EHADHM Cc1ccc(C(=O)N2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)c([O-])c1 ZINC000440919795 1021870160 /nfs/dbraw/zinc/87/01/60/1021870160.db2.gz RPNDSWBSUWJQDZ-SIFCLUCFSA-N -1 3 329.440 3.510 20 0 EHADHM [O-]c1ccccc1-c1nc(CSc2ccc3c(c2)OCCO3)no1 ZINC000520396140 1022185107 /nfs/dbraw/zinc/18/51/07/1022185107.db2.gz WVLRMOIGTTXEIC-UHFFFAOYSA-N -1 3 342.376 3.506 20 0 EHADHM Cc1csc([C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)C2CC2)n1 ZINC000346005516 1022278916 /nfs/dbraw/zinc/27/89/16/1022278916.db2.gz MESSSGCAUGDHKN-KRWDZBQOSA-N -1 3 348.443 3.886 20 0 EHADHM O=c1cc(C[S@@](=O)c2cc(Cl)ccc2Cl)nc(C2CC2)[n-]1 ZINC000581930889 1022447015 /nfs/dbraw/zinc/44/70/15/1022447015.db2.gz BNTYUPRJIXNVGC-OAQYLSRUSA-N -1 3 343.235 3.674 20 0 EHADHM C[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])[C@H](C)[C@H](C)O1 ZINC000438408492 1022628279 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EHADHM C[C@H]1C[C@@H]1c1cc(NC(=O)c2cc([O-])ccc2C(F)(F)F)n[nH]1 ZINC000616440683 479908147 /nfs/dbraw/zinc/90/81/47/479908147.db2.gz MHUATIKEWKWGIV-CBAPKCEASA-N -1 3 325.290 3.510 20 0 EHADHM CC[C@H](C)c1ccc(NC(=O)C[S@](=O)c2ccc([O-])cc2)cc1 ZINC000108086489 522037778 /nfs/dbraw/zinc/03/77/78/522037778.db2.gz ZMOJEPIKLVASHJ-ZAMGYDSWSA-N -1 3 331.437 3.652 20 0 EHADHM Cc1nc(CC2CC2)sc1C(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000188640921 526803944 /nfs/dbraw/zinc/80/39/44/526803944.db2.gz OKZCTJALCPUAJW-UHFFFAOYSA-N -1 3 336.486 3.805 20 0 EHADHM CC[C@@H]1CCCCCN1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736399513 598903528 /nfs/dbraw/zinc/90/35/28/598903528.db2.gz IBAPTGHJGXSDAS-GFCCVEGCSA-N -1 3 348.838 3.707 20 0 EHADHM CC[C@@H]1CCCCCN1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736399513 598903530 /nfs/dbraw/zinc/90/35/30/598903530.db2.gz IBAPTGHJGXSDAS-GFCCVEGCSA-N -1 3 348.838 3.707 20 0 EHADHM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000735924877 598911222 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CCCCc1nc(CNc2cccc(-c3nnn[n-]3)c2C)cs1 ZINC000821077508 607255546 /nfs/dbraw/zinc/25/55/46/607255546.db2.gz JAXYQCBZMQSZDC-UHFFFAOYSA-N -1 3 328.445 3.586 20 0 EHADHM CCCCc1nc(CNc2cccc(-c3nn[n-]n3)c2C)cs1 ZINC000821077508 607255547 /nfs/dbraw/zinc/25/55/47/607255547.db2.gz JAXYQCBZMQSZDC-UHFFFAOYSA-N -1 3 328.445 3.586 20 0 EHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NCCC2CCCCC2)n1 ZINC000737635440 599045109 /nfs/dbraw/zinc/04/51/09/599045109.db2.gz GANBLIRMUNGVRN-UHFFFAOYSA-N -1 3 340.353 3.663 20 0 EHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NCCC2CCCCC2)n1 ZINC000737635440 599045112 /nfs/dbraw/zinc/04/51/12/599045112.db2.gz GANBLIRMUNGVRN-UHFFFAOYSA-N -1 3 340.353 3.663 20 0 EHADHM C[C@H](CNc1c(Cl)cccc1-c1nnn[n-]1)Oc1cccc(F)c1 ZINC000820275044 599058809 /nfs/dbraw/zinc/05/88/09/599058809.db2.gz MTJLVWPOBJRZPG-SNVBAGLBSA-N -1 3 347.781 3.539 20 0 EHADHM C[C@H](CNc1c(Cl)cccc1-c1nn[n-]n1)Oc1cccc(F)c1 ZINC000820275044 599058816 /nfs/dbraw/zinc/05/88/16/599058816.db2.gz MTJLVWPOBJRZPG-SNVBAGLBSA-N -1 3 347.781 3.539 20 0 EHADHM CC[C@H](C)C[C@@H](C)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000820870093 599067992 /nfs/dbraw/zinc/06/79/92/599067992.db2.gz MRDYPCVRXSWINI-DTWKUNHWSA-N -1 3 328.342 3.517 20 0 EHADHM CC[C@H](C)C[C@@H](C)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000820870093 599067995 /nfs/dbraw/zinc/06/79/95/599067995.db2.gz MRDYPCVRXSWINI-DTWKUNHWSA-N -1 3 328.342 3.517 20 0 EHADHM O=C([O-])[C@H](NCc1ccc(F)c(Br)c1)c1ccccc1 ZINC000050508444 599786542 /nfs/dbraw/zinc/78/65/42/599786542.db2.gz JWNZGENTARWTOF-CQSZACIVSA-N -1 3 338.176 3.504 20 0 EHADHM Brc1cccc(CSc2ccccc2-c2nnn[n-]2)c1 ZINC000819689191 599191780 /nfs/dbraw/zinc/19/17/80/599191780.db2.gz XCOFVRMZTPFLRK-UHFFFAOYSA-N -1 3 347.241 3.922 20 0 EHADHM Brc1cccc(CSc2ccccc2-c2nn[n-]n2)c1 ZINC000819689191 599191781 /nfs/dbraw/zinc/19/17/81/599191781.db2.gz XCOFVRMZTPFLRK-UHFFFAOYSA-N -1 3 347.241 3.922 20 0 EHADHM CCCCCC[C@@H](CC)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736445672 599194275 /nfs/dbraw/zinc/19/42/75/599194275.db2.gz LZHAVPULQOXOLH-CYBMUJFWSA-N -1 3 345.447 3.810 20 0 EHADHM CCCCCC[C@@H](CC)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736445672 599194278 /nfs/dbraw/zinc/19/42/78/599194278.db2.gz LZHAVPULQOXOLH-CYBMUJFWSA-N -1 3 345.447 3.810 20 0 EHADHM CC[C@H](CC(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1ccccc1 ZINC000820882431 607267536 /nfs/dbraw/zinc/26/75/36/607267536.db2.gz RJHQZZOKVVGDIJ-CQSZACIVSA-N -1 3 335.411 3.698 20 0 EHADHM CC[C@H](CC(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1ccccc1 ZINC000820882431 607267537 /nfs/dbraw/zinc/26/75/37/607267537.db2.gz RJHQZZOKVVGDIJ-CQSZACIVSA-N -1 3 335.411 3.698 20 0 EHADHM CCC1CCC(N(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)CC1 ZINC000820972335 607284699 /nfs/dbraw/zinc/28/46/99/607284699.db2.gz NFRZFXLDWMZESO-UHFFFAOYSA-N -1 3 342.447 3.608 20 0 EHADHM CCC1CCC(N(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CC1 ZINC000820972335 607284700 /nfs/dbraw/zinc/28/47/00/607284700.db2.gz NFRZFXLDWMZESO-UHFFFAOYSA-N -1 3 342.447 3.608 20 0 EHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCC1CCCC1 ZINC000736487155 599279098 /nfs/dbraw/zinc/27/90/98/599279098.db2.gz DLLOHZDSOHYPIF-UHFFFAOYSA-N -1 3 342.447 3.598 20 0 EHADHM O=C([O-])C1CCC(NCc2csc(CCc3ccccc3)n2)CC1 ZINC000263417245 598108166 /nfs/dbraw/zinc/10/81/66/598108166.db2.gz NRUUCZXCYZHPDM-UHFFFAOYSA-N -1 3 344.480 3.661 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1NCc1ccc(C(F)(F)F)cc1 ZINC000737643116 598236091 /nfs/dbraw/zinc/23/60/91/598236091.db2.gz AMYRPNLJWIUEFT-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM FC(F)(F)c1cc(NCCc2ccccc2)ccc1-c1nnn[n-]1 ZINC000737631482 598274372 /nfs/dbraw/zinc/27/43/72/598274372.db2.gz DRHVXMZGTHJGJU-UHFFFAOYSA-N -1 3 333.317 3.540 20 0 EHADHM FC(F)(F)c1cc(NCCc2ccccc2)ccc1-c1nn[n-]n1 ZINC000737631482 598274374 /nfs/dbraw/zinc/27/43/74/598274374.db2.gz DRHVXMZGTHJGJU-UHFFFAOYSA-N -1 3 333.317 3.540 20 0 EHADHM C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1csc2ccccc21 ZINC000736121323 598359757 /nfs/dbraw/zinc/35/97/57/598359757.db2.gz BNSIWDDUYGHPQI-NSHDSACASA-N -1 3 349.419 3.572 20 0 EHADHM C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1csc2ccccc21 ZINC000736121323 598359759 /nfs/dbraw/zinc/35/97/59/598359759.db2.gz BNSIWDDUYGHPQI-NSHDSACASA-N -1 3 349.419 3.572 20 0 EHADHM Cc1ccc2c(c1)[C@@H](Nc1c(F)cc(-c3nnn[n-]3)cc1F)CC2 ZINC000737371359 598388538 /nfs/dbraw/zinc/38/85/38/598388538.db2.gz CTEGCDZVBKSSMW-HNNXBMFYSA-N -1 3 327.338 3.553 20 0 EHADHM Cc1ccc2c(c1)[C@@H](Nc1c(F)cc(-c3nn[n-]n3)cc1F)CC2 ZINC000737371359 598388539 /nfs/dbraw/zinc/38/85/39/598388539.db2.gz CTEGCDZVBKSSMW-HNNXBMFYSA-N -1 3 327.338 3.553 20 0 EHADHM Clc1cc(-c2nnn[n-]2)cnc1NCc1csc2ccccc12 ZINC000737559404 598391133 /nfs/dbraw/zinc/39/11/33/598391133.db2.gz WKDLWXRBAIORBV-UHFFFAOYSA-N -1 3 342.815 3.742 20 0 EHADHM Clc1cc(-c2nn[n-]n2)cnc1NCc1csc2ccccc12 ZINC000737559404 598391134 /nfs/dbraw/zinc/39/11/34/598391134.db2.gz WKDLWXRBAIORBV-UHFFFAOYSA-N -1 3 342.815 3.742 20 0 EHADHM Cc1ccc([C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1C ZINC000737320926 598392739 /nfs/dbraw/zinc/39/27/39/598392739.db2.gz RGDKVMZQXAKBLS-LLVKDONJSA-N -1 3 328.807 3.705 20 0 EHADHM Cc1ccc([C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1C ZINC000737320926 598392740 /nfs/dbraw/zinc/39/27/40/598392740.db2.gz RGDKVMZQXAKBLS-LLVKDONJSA-N -1 3 328.807 3.705 20 0 EHADHM CC(C)C[C@@H](C)CC(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735760667 598494310 /nfs/dbraw/zinc/49/43/10/598494310.db2.gz GJRJTEDQNVNULA-OAHLLOKOSA-N -1 3 343.475 3.928 20 0 EHADHM CC(C)C[C@@H](C)CC(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735760667 598494312 /nfs/dbraw/zinc/49/43/12/598494312.db2.gz GJRJTEDQNVNULA-OAHLLOKOSA-N -1 3 343.475 3.928 20 0 EHADHM CCCCCC[C@@H](C)CC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736448541 598494746 /nfs/dbraw/zinc/49/47/46/598494746.db2.gz ZRJPAEUNHWNAPN-OAHLLOKOSA-N -1 3 343.475 3.822 20 0 EHADHM CCCCCC[C@@H](C)CC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736448541 598494747 /nfs/dbraw/zinc/49/47/47/598494747.db2.gz ZRJPAEUNHWNAPN-OAHLLOKOSA-N -1 3 343.475 3.822 20 0 EHADHM CCCCCC[C@@H](C)CC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736447142 598494773 /nfs/dbraw/zinc/49/47/73/598494773.db2.gz RBHYDBDWCMLXST-OAHLLOKOSA-N -1 3 343.475 3.822 20 0 EHADHM CCCCCC[C@@H](C)CC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736447142 598494775 /nfs/dbraw/zinc/49/47/75/598494775.db2.gz RBHYDBDWCMLXST-OAHLLOKOSA-N -1 3 343.475 3.822 20 0 EHADHM O=C(c1sccc1-c1nnn[n-]1)N(c1ccccc1)C1CCCC1 ZINC000738293276 598535610 /nfs/dbraw/zinc/53/56/10/598535610.db2.gz VUVGFJOQIHBATB-UHFFFAOYSA-N -1 3 339.424 3.518 20 0 EHADHM O=C(c1sccc1-c1nn[n-]n1)N(c1ccccc1)C1CCCC1 ZINC000738293276 598535611 /nfs/dbraw/zinc/53/56/11/598535611.db2.gz VUVGFJOQIHBATB-UHFFFAOYSA-N -1 3 339.424 3.518 20 0 EHADHM CCC(=CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736305905 598736244 /nfs/dbraw/zinc/73/62/44/598736244.db2.gz YCJCEOJUMXXRNW-MRPLLJTBSA-N -1 3 347.422 3.538 20 0 EHADHM CCC(=CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736305905 598736245 /nfs/dbraw/zinc/73/62/45/598736245.db2.gz YCJCEOJUMXXRNW-MRPLLJTBSA-N -1 3 347.422 3.538 20 0 EHADHM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737414970 598764626 /nfs/dbraw/zinc/76/46/26/598764626.db2.gz JEEHFNABXCOPIY-GOSISDBHSA-N -1 3 349.438 3.644 20 0 EHADHM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737414970 598764627 /nfs/dbraw/zinc/76/46/27/598764627.db2.gz JEEHFNABXCOPIY-GOSISDBHSA-N -1 3 349.438 3.644 20 0 EHADHM C[C@H](Nc1ccc(Cl)cc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000736138697 598794356 /nfs/dbraw/zinc/79/43/56/598794356.db2.gz ODUQOVLTNPNVQZ-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@H](Nc1ccc(Cl)cc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000736138697 598794358 /nfs/dbraw/zinc/79/43/58/598794358.db2.gz ODUQOVLTNPNVQZ-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM CC[C@@H](CC(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736332792 598818605 /nfs/dbraw/zinc/81/86/05/598818605.db2.gz OIDYBMFRTKHNGG-CABCVRRESA-N -1 3 343.475 3.849 20 0 EHADHM CC[C@@H](CC(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736332792 598818607 /nfs/dbraw/zinc/81/86/07/598818607.db2.gz OIDYBMFRTKHNGG-CABCVRRESA-N -1 3 343.475 3.849 20 0 EHADHM C[C@@H](Nc1nc(-c2ccccc2)ns1)c1cccc(-c2nnn[n-]2)c1 ZINC000820460746 599356633 /nfs/dbraw/zinc/35/66/33/599356633.db2.gz BFTIXGRKWIGBFE-LLVKDONJSA-N -1 3 349.423 3.558 20 0 EHADHM C[C@@H](Nc1nc(-c2ccccc2)ns1)c1cccc(-c2nn[n-]n2)c1 ZINC000820460746 599356636 /nfs/dbraw/zinc/35/66/36/599356636.db2.gz BFTIXGRKWIGBFE-LLVKDONJSA-N -1 3 349.423 3.558 20 0 EHADHM CCc1ccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)s1 ZINC000736688721 599409575 /nfs/dbraw/zinc/40/95/75/599409575.db2.gz FAVFUSWNDUSQLK-UHFFFAOYSA-N -1 3 336.424 3.651 20 0 EHADHM CCc1ccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)s1 ZINC000736688721 599409578 /nfs/dbraw/zinc/40/95/78/599409578.db2.gz FAVFUSWNDUSQLK-UHFFFAOYSA-N -1 3 336.424 3.651 20 0 EHADHM Clc1ccc(-c2nnn[n-]2)c(NCc2cc3ccccc3o2)c1 ZINC000737570968 599410279 /nfs/dbraw/zinc/41/02/79/599410279.db2.gz NVHMIHSGGXMCCB-UHFFFAOYSA-N -1 3 325.759 3.878 20 0 EHADHM Clc1ccc(-c2nn[n-]n2)c(NCc2cc3ccccc3o2)c1 ZINC000737570968 599410282 /nfs/dbraw/zinc/41/02/82/599410282.db2.gz NVHMIHSGGXMCCB-UHFFFAOYSA-N -1 3 325.759 3.878 20 0 EHADHM C[C@@H](CN(C)c1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccccc1 ZINC000736002609 599427281 /nfs/dbraw/zinc/42/72/81/599427281.db2.gz RJOHGDOXCYEZCX-AWEZNQCLSA-N -1 3 344.422 3.655 20 0 EHADHM C[C@@H](CN(C)c1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccccc1 ZINC000736002609 599427284 /nfs/dbraw/zinc/42/72/84/599427284.db2.gz RJOHGDOXCYEZCX-AWEZNQCLSA-N -1 3 344.422 3.655 20 0 EHADHM C[C@@H](Nc1c(Cl)cccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000820449882 599464989 /nfs/dbraw/zinc/46/49/89/599464989.db2.gz DKQZUWYFPHHTMR-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@@H](Nc1c(Cl)cccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000820449882 599464990 /nfs/dbraw/zinc/46/49/90/599464990.db2.gz DKQZUWYFPHHTMR-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM Fc1ccccc1OCCCNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000822796779 599468128 /nfs/dbraw/zinc/46/81/28/599468128.db2.gz YKRHAPCUOUEYSU-UHFFFAOYSA-N -1 3 347.781 3.540 20 0 EHADHM Fc1ccccc1OCCCNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000822796779 599468129 /nfs/dbraw/zinc/46/81/29/599468129.db2.gz YKRHAPCUOUEYSU-UHFFFAOYSA-N -1 3 347.781 3.540 20 0 EHADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1cccc(F)c1-c1nnn[n-]1 ZINC000736233923 599472459 /nfs/dbraw/zinc/47/24/59/599472459.db2.gz HEOYTPJCMRNUCZ-YPMHNXCESA-N -1 3 341.365 3.527 20 0 EHADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1cccc(F)c1-c1nn[n-]n1 ZINC000736233923 599472462 /nfs/dbraw/zinc/47/24/62/599472462.db2.gz HEOYTPJCMRNUCZ-YPMHNXCESA-N -1 3 341.365 3.527 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)CCC(C)(C)C ZINC000737291380 599502440 /nfs/dbraw/zinc/50/24/40/599502440.db2.gz JPGSRUDARQLBSO-LBPRGKRZSA-N -1 3 330.436 3.511 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)CCC(C)(C)C ZINC000737291380 599502442 /nfs/dbraw/zinc/50/24/42/599502442.db2.gz JPGSRUDARQLBSO-LBPRGKRZSA-N -1 3 330.436 3.511 20 0 EHADHM CC[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000736371614 599528304 /nfs/dbraw/zinc/52/83/04/599528304.db2.gz XNMNNRAXECBZMX-CYBMUJFWSA-N -1 3 333.317 3.847 20 0 EHADHM CC[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000736371614 599528305 /nfs/dbraw/zinc/52/83/05/599528305.db2.gz XNMNNRAXECBZMX-CYBMUJFWSA-N -1 3 333.317 3.847 20 0 EHADHM C[C@@H](NC(=O)CC/C=C/c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820323032 599533263 /nfs/dbraw/zinc/53/32/63/599533263.db2.gz WJNXBYUKINQWIY-HYJLXUOHSA-N -1 3 347.422 3.538 20 0 EHADHM C[C@@H](NC(=O)CC/C=C/c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820323032 599533264 /nfs/dbraw/zinc/53/32/64/599533264.db2.gz WJNXBYUKINQWIY-HYJLXUOHSA-N -1 3 347.422 3.538 20 0 EHADHM O=C([O-])[C@@H](NCc1ccc(F)cc1)c1ccccc1C(F)(F)F ZINC000739498617 599792118 /nfs/dbraw/zinc/79/21/18/599792118.db2.gz BHDWEAZVIBVIHB-AWEZNQCLSA-N -1 3 327.277 3.760 20 0 EHADHM COc1ccc([C@H](NCc2ccccc2C(F)(F)F)C(=O)[O-])cc1 ZINC000737972429 599859786 /nfs/dbraw/zinc/85/97/86/599859786.db2.gz WMDGFDUOTJGYRA-HNNXBMFYSA-N -1 3 339.313 3.630 20 0 EHADHM CC(C)CN(CCC(=O)[O-])Cc1csc(-c2ccccc2F)n1 ZINC000736432365 599874287 /nfs/dbraw/zinc/87/42/87/599874287.db2.gz JUDHSNGQRRYHAZ-UHFFFAOYSA-N -1 3 336.432 3.882 20 0 EHADHM CCCCC[C@@H](C)CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825265697 607427274 /nfs/dbraw/zinc/42/72/74/607427274.db2.gz ACKUVIYTUPHGCU-CQSZACIVSA-N -1 3 341.459 3.579 20 0 EHADHM CCCCC[C@@H](C)CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825265697 607427276 /nfs/dbraw/zinc/42/72/76/607427276.db2.gz ACKUVIYTUPHGCU-CQSZACIVSA-N -1 3 341.459 3.579 20 0 EHADHM Cc1ccc(CCN2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)cc1 ZINC000738589627 600209122 /nfs/dbraw/zinc/20/91/22/600209122.db2.gz PMPJAOAHBDTACL-UHFFFAOYSA-N -1 3 334.419 3.775 20 0 EHADHM O=C([O-])[C@@H](NCc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000426806836 600417119 /nfs/dbraw/zinc/41/71/19/600417119.db2.gz LGQPYMLPIAANGR-AWEZNQCLSA-N -1 3 327.277 3.760 20 0 EHADHM CC(C)CCOCCN[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000826856057 600743952 /nfs/dbraw/zinc/74/39/52/600743952.db2.gz XLWKYTGMQBEREK-AWEZNQCLSA-N -1 3 334.243 3.771 20 0 EHADHM C[C@H](CN[C@H](C(=O)[O-])c1ccccc1F)Oc1ccccc1Cl ZINC000827503510 600756242 /nfs/dbraw/zinc/75/62/42/600756242.db2.gz XWOIXRQYHIKREJ-BZNIZROVSA-N -1 3 337.778 3.662 20 0 EHADHM Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2F)c2cccnc2c1C ZINC000822209255 607491128 /nfs/dbraw/zinc/49/11/28/607491128.db2.gz AANRWHXLSOIGGO-UHFFFAOYSA-N -1 3 348.385 3.783 20 0 EHADHM Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2F)c2cccnc2c1C ZINC000822209255 607491130 /nfs/dbraw/zinc/49/11/30/607491130.db2.gz AANRWHXLSOIGGO-UHFFFAOYSA-N -1 3 348.385 3.783 20 0 EHADHM CCSc1cccc(NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821460913 607490451 /nfs/dbraw/zinc/49/04/51/607490451.db2.gz GOKGLIFCRZJALG-UHFFFAOYSA-N -1 3 329.404 3.730 20 0 EHADHM CCSc1cccc(NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821460913 607490453 /nfs/dbraw/zinc/49/04/53/607490453.db2.gz GOKGLIFCRZJALG-UHFFFAOYSA-N -1 3 329.404 3.730 20 0 EHADHM CC[C@@](C)(CC(=O)[O-])NCc1csc(COc2ccc(C)cc2)n1 ZINC000828672086 601433467 /nfs/dbraw/zinc/43/34/67/601433467.db2.gz MCIJFIKXWPZRQT-SFHVURJKSA-N -1 3 348.468 3.764 20 0 EHADHM O=C([O-])c1cccc(CN2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC000263476326 601465105 /nfs/dbraw/zinc/46/51/05/601465105.db2.gz MRSXSKMOTZIDNL-FQEVSTJZSA-N -1 3 339.435 3.609 20 0 EHADHM O=C([O-])c1cc(CNCc2ccc(-c3ccc4c(c3)CCO4)cc2)c[nH]1 ZINC000833297992 601832879 /nfs/dbraw/zinc/83/28/79/601832879.db2.gz PSVXMBVPMVASLY-UHFFFAOYSA-N -1 3 348.402 3.605 20 0 EHADHM Cc1ccc(-c2nc(CNC3(CC(=O)[O-])CCCCC3)cs2)o1 ZINC000832909052 601879236 /nfs/dbraw/zinc/87/92/36/601879236.db2.gz UVHXQCCTFOHLPT-UHFFFAOYSA-N -1 3 334.441 3.979 20 0 EHADHM CCOc1ccc(-c2nc(CN3CC[C@@](C)(C(=O)[O-])C3)cs2)cc1 ZINC000263110044 601911824 /nfs/dbraw/zinc/91/18/24/601911824.db2.gz JORPATDNVFCIGR-GOSISDBHSA-N -1 3 346.452 3.505 20 0 EHADHM CCc1ccc(-c2nc(CN3CC[C@](C)(C(=O)[O-])C3)cs2)cc1 ZINC000263219832 601911992 /nfs/dbraw/zinc/91/19/92/601911992.db2.gz YMMIWPPIKBJUBE-SFHVURJKSA-N -1 3 330.453 3.669 20 0 EHADHM O=C([O-])c1ccc(CN2CCC(OCc3ccccc3)CC2)s1 ZINC000383612055 601938140 /nfs/dbraw/zinc/93/81/40/601938140.db2.gz NPHJPHNAFVYLLA-UHFFFAOYSA-N -1 3 331.437 3.628 20 0 EHADHM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC2(C1)CCOCC2 ZINC000570522029 602046477 /nfs/dbraw/zinc/04/64/77/602046477.db2.gz VOEBGBPBWLKPCR-CQSZACIVSA-N -1 3 344.238 3.622 20 0 EHADHM Cc1ccc(-c2nc(CNCC[C@H]3CCN(C(=O)[O-])C3)cs2)cc1 ZINC000740092532 602876576 /nfs/dbraw/zinc/87/65/76/602876576.db2.gz KQHKXIARKPGEPG-AWEZNQCLSA-N -1 3 345.468 3.598 20 0 EHADHM Cc1oc(-c2ccccc2)nc1CN(C)C1CCC(NC(=O)[O-])CC1 ZINC000830935853 603794878 /nfs/dbraw/zinc/79/48/78/603794878.db2.gz COFZVKGKJMVNPK-UHFFFAOYSA-N -1 3 343.427 3.661 20 0 EHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N([C@@H](C)c1ccccc1)C1CC1 ZINC000826243791 607675631 /nfs/dbraw/zinc/67/56/31/607675631.db2.gz WAJFKIDROZRAFL-AWEZNQCLSA-N -1 3 347.422 3.541 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N([C@@H](C)c1ccccc1)C1CC1 ZINC000826243791 607675632 /nfs/dbraw/zinc/67/56/32/607675632.db2.gz WAJFKIDROZRAFL-AWEZNQCLSA-N -1 3 347.422 3.541 20 0 EHADHM c1ccc(-c2cccc(CNc3ccc(-c4nn[n-]n4)cc3)c2)nc1 ZINC000826519351 607679204 /nfs/dbraw/zinc/67/92/04/607679204.db2.gz VLOZMHMPIGIOKP-UHFFFAOYSA-N -1 3 328.379 3.541 20 0 EHADHM C[C@@H](Oc1ccc(CN(Cc2ccc(F)cc2)C2CC2)cc1)C(=O)[O-] ZINC000833539224 604515646 /nfs/dbraw/zinc/51/56/46/604515646.db2.gz XRYLABVXPXKGOJ-CQSZACIVSA-N -1 3 343.398 3.842 20 0 EHADHM CCCOc1c(Cl)cc(CN2CCC[C@H]2C(=O)[O-])cc1OCC ZINC000263451586 604631580 /nfs/dbraw/zinc/63/15/80/604631580.db2.gz ZVNBWKNCIPQOIA-AWEZNQCLSA-N -1 3 341.835 3.577 20 0 EHADHM O=C([O-])[C@H]1CC12CCN(Cc1cnc(-c3cccs3)s1)CC2 ZINC000833771338 604650225 /nfs/dbraw/zinc/65/02/25/604650225.db2.gz ASAYCEDKJTUBLS-GFCCVEGCSA-N -1 3 334.466 3.558 20 0 EHADHM C[C@H](Oc1ccc(CN2CCCC[C@H]2c2cccn2C)cc1)C(=O)[O-] ZINC000833538467 604679576 /nfs/dbraw/zinc/67/95/76/604679576.db2.gz COELITAKWXQDFG-KXBFYZLASA-N -1 3 342.439 3.604 20 0 EHADHM O=C([O-])c1ccc(CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)o1 ZINC000833313055 604784689 /nfs/dbraw/zinc/78/46/89/604784689.db2.gz NDAHGCXIJCUOLD-GFCCVEGCSA-N -1 3 346.452 3.693 20 0 EHADHM C[C@]1(NCc2coc(-c3ccc(F)cc3)n2)CCCC[C@@H]1C(=O)[O-] ZINC000833568963 604813581 /nfs/dbraw/zinc/81/35/81/604813581.db2.gz JHLZPILYPSCJCZ-QAPCUYQASA-N -1 3 332.375 3.604 20 0 EHADHM CC1=C(C(=O)[O-])C[C@@H](CN2CCCC[C@H]2c2cc3ccccc3[nH]2)O1 ZINC000833585461 604834499 /nfs/dbraw/zinc/83/44/99/604834499.db2.gz SNTXAVCQIWKQIT-KXBFYZLASA-N -1 3 340.423 3.842 20 0 EHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cc(-c3cccs3)on2)C1 ZINC000321634852 604941517 /nfs/dbraw/zinc/94/15/17/604941517.db2.gz AXPGSSZDXZRUSS-LBPRGKRZSA-N -1 3 334.441 3.726 20 0 EHADHM O=C([O-])NCCc1ccc(CN[C@H]2CCSc3ccccc32)cc1 ZINC000832671511 604943389 /nfs/dbraw/zinc/94/33/89/604943389.db2.gz CEAXVSDYAOCNMG-KRWDZBQOSA-N -1 3 342.464 3.823 20 0 EHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2csc(-c3ccoc3)n2)C1 ZINC000652499931 604944906 /nfs/dbraw/zinc/94/49/06/604944906.db2.gz SLUFFGWEOJLZGM-ZDUSSCGKSA-N -1 3 334.441 3.726 20 0 EHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2csc(-c3ccccn3)n2)C1 ZINC000392005605 604949589 /nfs/dbraw/zinc/94/95/89/604949589.db2.gz RDFQOMUEHUKRDA-CYBMUJFWSA-N -1 3 345.468 3.528 20 0 EHADHM Cc1noc(C)c1CCN[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833757707 605064490 /nfs/dbraw/zinc/06/44/90/605064490.db2.gz OTXKFHIKRHFBRC-CQSZACIVSA-N -1 3 343.210 3.556 20 0 EHADHM CC(C)(C)n1ncc2c1CCC[C@H]2NCc1ccc(C(=O)[O-])cc1 ZINC000833452279 605090116 /nfs/dbraw/zinc/09/01/16/605090116.db2.gz UMDSGKNOJBEEII-MRXNPFEDSA-N -1 3 327.428 3.504 20 0 EHADHM COc1ccc2c(c1)[C@@H](NCc1ccc([C@@H](C)NC(=O)[O-])cc1)CC2 ZINC000829515077 605119936 /nfs/dbraw/zinc/11/99/36/605119936.db2.gz CKUIOQQSRMYKQB-YJYMSZOUSA-N -1 3 340.423 3.801 20 0 EHADHM COCC1(C)CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC000566361381 605131205 /nfs/dbraw/zinc/13/12/05/605131205.db2.gz JNJYIJTUTRZLTK-AWEZNQCLSA-N -1 3 346.254 3.868 20 0 EHADHM C[C@H]1CC[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000824915740 607757523 /nfs/dbraw/zinc/75/75/23/607757523.db2.gz HYTZKLAFZLYYGO-YVEFUNNKSA-N -1 3 348.410 3.627 20 0 EHADHM C[C@H]1CC[C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000824915740 607757524 /nfs/dbraw/zinc/75/75/24/607757524.db2.gz HYTZKLAFZLYYGO-YVEFUNNKSA-N -1 3 348.410 3.627 20 0 EHADHM O=C([O-])N1CCc2cccc(CN3CCC(OC4CCCC4)CC3)c21 ZINC000834122686 605580351 /nfs/dbraw/zinc/58/03/51/605580351.db2.gz KDKNKLXLTIWZMJ-UHFFFAOYSA-N -1 3 344.455 3.651 20 0 EHADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)C1CCCC1 ZINC000819877156 606121810 /nfs/dbraw/zinc/12/18/10/606121810.db2.gz PWEAXUKROSLSNA-JTQLQIEISA-N -1 3 345.472 3.572 20 0 EHADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)C1CCCC1 ZINC000819877156 606121812 /nfs/dbraw/zinc/12/18/12/606121812.db2.gz PWEAXUKROSLSNA-JTQLQIEISA-N -1 3 345.472 3.572 20 0 EHADHM C[C@@H]1c2ccccc2CN1c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000820827237 606137507 /nfs/dbraw/zinc/13/75/07/606137507.db2.gz QULXWEUAMNDESF-SNVBAGLBSA-N -1 3 345.328 3.967 20 0 EHADHM C[C@@H](CC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C1CCCCC1 ZINC000820225151 606269666 /nfs/dbraw/zinc/26/96/66/606269666.db2.gz BWOGWRRCSJAWRD-NSHDSACASA-N -1 3 331.395 3.551 20 0 EHADHM C[C@@H](CC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C1CCCCC1 ZINC000820225151 606269668 /nfs/dbraw/zinc/26/96/68/606269668.db2.gz BWOGWRRCSJAWRD-NSHDSACASA-N -1 3 331.395 3.551 20 0 EHADHM ClC(=Cc1cc(-c2nnn[n-]2)cs1)c1nc2ccccc2o1 ZINC000822563425 606304023 /nfs/dbraw/zinc/30/40/23/606304023.db2.gz IMXTYZYUFMYSIF-UXBLZVDNSA-N -1 3 329.772 3.806 20 0 EHADHM ClC(=Cc1cc(-c2nn[n-]n2)cs1)c1nc2ccccc2o1 ZINC000822563425 606304025 /nfs/dbraw/zinc/30/40/25/606304025.db2.gz IMXTYZYUFMYSIF-UXBLZVDNSA-N -1 3 329.772 3.806 20 0 EHADHM c1csc(-c2nc(CSc3cccc(-c4nnn[n-]4)c3)co2)c1 ZINC000823762089 606325202 /nfs/dbraw/zinc/32/52/02/606325202.db2.gz IGAGNESRHBSLNC-UHFFFAOYSA-N -1 3 341.421 3.876 20 0 EHADHM c1csc(-c2nc(CSc3cccc(-c4nn[n-]n4)c3)co2)c1 ZINC000823762089 606325203 /nfs/dbraw/zinc/32/52/03/606325203.db2.gz IGAGNESRHBSLNC-UHFFFAOYSA-N -1 3 341.421 3.876 20 0 EHADHM CC(C)N(C)c1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1F ZINC000820112507 606410424 /nfs/dbraw/zinc/41/04/24/606410424.db2.gz WDYXJDAZKBSZRN-UHFFFAOYSA-N -1 3 346.435 3.524 20 0 EHADHM Fc1ccc(NCc2ccc(C(F)(F)F)cc2)cc1-c1nnn[n-]1 ZINC000822783010 606457700 /nfs/dbraw/zinc/45/77/00/606457700.db2.gz PUVYYQGGDUOTFS-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Fc1ccc(NCc2ccc(C(F)(F)F)cc2)cc1-c1nn[n-]n1 ZINC000822783010 606457701 /nfs/dbraw/zinc/45/77/01/606457701.db2.gz PUVYYQGGDUOTFS-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Fc1ccc(NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000822778234 606595181 /nfs/dbraw/zinc/59/51/81/606595181.db2.gz GHJSIJAXLMVRNB-NXEZZACHSA-N -1 3 343.328 3.786 20 0 EHADHM Fc1ccc(NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000822778234 606595182 /nfs/dbraw/zinc/59/51/82/606595182.db2.gz GHJSIJAXLMVRNB-NXEZZACHSA-N -1 3 343.328 3.786 20 0 EHADHM C[C@@H](Nc1ccc2c(c1)C(=O)CCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820460730 606627528 /nfs/dbraw/zinc/62/75/28/606627528.db2.gz AUTYMHPMVYXLRQ-GFCCVEGCSA-N -1 3 333.395 3.559 20 0 EHADHM C[C@@H](Nc1ccc2c(c1)C(=O)CCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820460730 606627530 /nfs/dbraw/zinc/62/75/30/606627530.db2.gz AUTYMHPMVYXLRQ-GFCCVEGCSA-N -1 3 333.395 3.559 20 0 EHADHM CC1(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCC1 ZINC000820577787 606631954 /nfs/dbraw/zinc/63/19/54/606631954.db2.gz VDXBYUVWYSXMQJ-UHFFFAOYSA-N -1 3 349.394 3.788 20 0 EHADHM CC1(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCC1 ZINC000820577787 606631955 /nfs/dbraw/zinc/63/19/55/606631955.db2.gz VDXBYUVWYSXMQJ-UHFFFAOYSA-N -1 3 349.394 3.788 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1csc(C2CCCC2)n1 ZINC000822221430 606656821 /nfs/dbraw/zinc/65/68/21/606656821.db2.gz OPHIVDISRBFMSO-UHFFFAOYSA-N -1 3 340.456 3.901 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1csc(C2CCCC2)n1 ZINC000822221430 606656822 /nfs/dbraw/zinc/65/68/22/606656822.db2.gz OPHIVDISRBFMSO-UHFFFAOYSA-N -1 3 340.456 3.901 20 0 EHADHM O=C(C=C1CCC1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822917016 606677671 /nfs/dbraw/zinc/67/76/71/606677671.db2.gz LFHKGJVAXYOXAE-UHFFFAOYSA-N -1 3 347.378 3.708 20 0 EHADHM O=C(C=C1CCC1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822917016 606677672 /nfs/dbraw/zinc/67/76/72/606677672.db2.gz LFHKGJVAXYOXAE-UHFFFAOYSA-N -1 3 347.378 3.708 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1OCc1nc(C(C)(C)C)cs1 ZINC000822136310 606707765 /nfs/dbraw/zinc/70/77/65/606707765.db2.gz LDRVUFAVTPEMCS-UHFFFAOYSA-N -1 3 329.429 3.508 20 0 EHADHM Cc1ccc2oc(Oc3cc(Cl)ccc3-c3nnn[n-]3)nc2c1 ZINC000822284550 606789843 /nfs/dbraw/zinc/78/98/43/606789843.db2.gz USRGZKWAQLGAMN-UHFFFAOYSA-N -1 3 327.731 3.762 20 0 EHADHM Cc1ccc2oc(Oc3cc(Cl)ccc3-c3nn[n-]n3)nc2c1 ZINC000822284550 606789844 /nfs/dbraw/zinc/78/98/44/606789844.db2.gz USRGZKWAQLGAMN-UHFFFAOYSA-N -1 3 327.731 3.762 20 0 EHADHM CSc1cc(C)ccc1CNc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC000821978291 606800860 /nfs/dbraw/zinc/80/08/60/606800860.db2.gz LLKWAEPXSAZPTL-UHFFFAOYSA-N -1 3 340.456 3.521 20 0 EHADHM CSc1cc(C)ccc1CNc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC000821978291 606800862 /nfs/dbraw/zinc/80/08/62/606800862.db2.gz LLKWAEPXSAZPTL-UHFFFAOYSA-N -1 3 340.456 3.521 20 0 EHADHM CC(C)CN(CC(C)(C)C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820081424 606804923 /nfs/dbraw/zinc/80/49/23/606804923.db2.gz FSDMGBBYIMPLMK-UHFFFAOYSA-N -1 3 348.426 3.542 20 0 EHADHM CC(C)CN(CC(C)(C)C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820081424 606804925 /nfs/dbraw/zinc/80/49/25/606804925.db2.gz FSDMGBBYIMPLMK-UHFFFAOYSA-N -1 3 348.426 3.542 20 0 EHADHM CC(C)(C)c1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)s1 ZINC000819958455 606958305 /nfs/dbraw/zinc/95/83/05/606958305.db2.gz LTGMGZQRXYPXOL-UHFFFAOYSA-N -1 3 345.403 3.617 20 0 EHADHM CC(C)(C)c1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000819958455 606958307 /nfs/dbraw/zinc/95/83/07/606958307.db2.gz LTGMGZQRXYPXOL-UHFFFAOYSA-N -1 3 345.403 3.617 20 0 EHADHM C[C@H](c1cccc(Cl)c1)[S@@](=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820563020 606978276 /nfs/dbraw/zinc/97/82/76/606978276.db2.gz LNYBETBHBHYKLA-BGJPBQGDSA-N -1 3 346.843 3.530 20 0 EHADHM C[C@H](c1cccc(Cl)c1)[S@@](=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820563020 606978278 /nfs/dbraw/zinc/97/82/78/606978278.db2.gz LNYBETBHBHYKLA-BGJPBQGDSA-N -1 3 346.843 3.530 20 0 EHADHM CC1(C)C[C@H](Nc2ccc(-c3nn[n-]n3)cc2)c2ccc(F)cc2O1 ZINC000820590592 607041755 /nfs/dbraw/zinc/04/17/55/607041755.db2.gz XBFMGEVIZGWAMM-HNNXBMFYSA-N -1 3 339.374 3.720 20 0 EHADHM CCC[C@H](C)[C@H]1CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000821014929 607194132 /nfs/dbraw/zinc/19/41/32/607194132.db2.gz LXDMJYAUSJPMPC-XJKSGUPXSA-N -1 3 342.447 3.608 20 0 EHADHM CCC[C@H](C)[C@H]1CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000821014929 607194133 /nfs/dbraw/zinc/19/41/33/607194133.db2.gz LXDMJYAUSJPMPC-XJKSGUPXSA-N -1 3 342.447 3.608 20 0 EHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1C[C@H]1C1CCCCC1 ZINC000823314556 607243217 /nfs/dbraw/zinc/24/32/17/607243217.db2.gz PVBHXVWEEGRRHW-STQMWFEESA-N -1 3 345.834 3.675 20 0 EHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1C[C@H]1C1CCCCC1 ZINC000823314556 607243218 /nfs/dbraw/zinc/24/32/18/607243218.db2.gz PVBHXVWEEGRRHW-STQMWFEESA-N -1 3 345.834 3.675 20 0 EHADHM CCN(C(=O)c1cccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385705 607799277 /nfs/dbraw/zinc/79/92/77/607799277.db2.gz RJOOOKBRUSTYBA-UHFFFAOYSA-N -1 3 343.390 3.687 20 0 EHADHM CCN(C(=O)c1cccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385705 607799278 /nfs/dbraw/zinc/79/92/78/607799278.db2.gz RJOOOKBRUSTYBA-UHFFFAOYSA-N -1 3 343.390 3.687 20 0 EHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000826454480 607927763 /nfs/dbraw/zinc/92/77/63/607927763.db2.gz YGGZJJQIQABKGS-RWMBFGLXSA-N -1 3 343.406 3.551 20 0 EHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000826454480 607927764 /nfs/dbraw/zinc/92/77/64/607927764.db2.gz YGGZJJQIQABKGS-RWMBFGLXSA-N -1 3 343.406 3.551 20 0 EHADHM CC[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1c(C)noc1C ZINC000825148322 607936535 /nfs/dbraw/zinc/93/65/35/607936535.db2.gz PKWBIOGUVWOVMY-ZDUSSCGKSA-N -1 3 332.795 3.688 20 0 EHADHM CC[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1c(C)noc1C ZINC000825148322 607936536 /nfs/dbraw/zinc/93/65/36/607936536.db2.gz PKWBIOGUVWOVMY-ZDUSSCGKSA-N -1 3 332.795 3.688 20 0 EHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(-c2ccoc2)c1 ZINC000826454391 608026078 /nfs/dbraw/zinc/02/60/78/608026078.db2.gz UXRKZQMBDHFFGC-UHFFFAOYSA-N -1 3 349.325 3.518 20 0 EHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(-c2ccoc2)c1 ZINC000826454391 608026079 /nfs/dbraw/zinc/02/60/79/608026079.db2.gz UXRKZQMBDHFFGC-UHFFFAOYSA-N -1 3 349.325 3.518 20 0 EHADHM Cc1ccc2ncnc(Oc3cc(Cl)ccc3-c3nnn[n-]3)c2c1 ZINC000826295660 608191202 /nfs/dbraw/zinc/19/12/02/608191202.db2.gz RYCWAUUAJUZFKM-UHFFFAOYSA-N -1 3 338.758 3.564 20 0 EHADHM Cc1ccc2ncnc(Oc3cc(Cl)ccc3-c3nn[n-]n3)c2c1 ZINC000826295660 608191203 /nfs/dbraw/zinc/19/12/03/608191203.db2.gz RYCWAUUAJUZFKM-UHFFFAOYSA-N -1 3 338.758 3.564 20 0 EHADHM C[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)c1ccccc1 ZINC000824756840 608205557 /nfs/dbraw/zinc/20/55/57/608205557.db2.gz QFVYOKZKADMKER-SNVBAGLBSA-N -1 3 344.827 3.884 20 0 EHADHM C[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)c1ccccc1 ZINC000824756840 608205558 /nfs/dbraw/zinc/20/55/58/608205558.db2.gz QFVYOKZKADMKER-SNVBAGLBSA-N -1 3 344.827 3.884 20 0 EHADHM C[C@@H]1C[C@@H]1c1ccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)o1 ZINC000824898061 608223280 /nfs/dbraw/zinc/22/32/80/608223280.db2.gz CRWSWZZXPDWBGL-ABAIWWIYSA-N -1 3 346.394 3.743 20 0 EHADHM C[C@@H]1C[C@@H]1c1ccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)o1 ZINC000824898061 608223281 /nfs/dbraw/zinc/22/32/81/608223281.db2.gz CRWSWZZXPDWBGL-ABAIWWIYSA-N -1 3 346.394 3.743 20 0 EHADHM Fc1cccc2c1CC[C@@H]2Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826377809 608223714 /nfs/dbraw/zinc/22/37/14/608223714.db2.gz GUAVXFQEYGTRMO-KRWDZBQOSA-N -1 3 346.369 3.653 20 0 EHADHM Fc1cccc2c1CC[C@@H]2Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826377809 608223716 /nfs/dbraw/zinc/22/37/16/608223716.db2.gz GUAVXFQEYGTRMO-KRWDZBQOSA-N -1 3 346.369 3.653 20 0 EHADHM Fc1ccc2c(c1)[C@H](Nc1ccc3cc(-c4nnn[n-]4)ccc3n1)CC2 ZINC000826375834 608227348 /nfs/dbraw/zinc/22/73/48/608227348.db2.gz DJEMNJAKCYKCKL-QGZVFWFLSA-N -1 3 346.369 3.653 20 0 EHADHM Fc1ccc2c(c1)[C@H](Nc1ccc3cc(-c4nn[n-]n4)ccc3n1)CC2 ZINC000826375834 608227350 /nfs/dbraw/zinc/22/73/50/608227350.db2.gz DJEMNJAKCYKCKL-QGZVFWFLSA-N -1 3 346.369 3.653 20 0 EHADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccccc1C(F)(F)F ZINC000826170749 608319302 /nfs/dbraw/zinc/31/93/02/608319302.db2.gz NZXPDPVKFAUMMZ-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccccc1C(F)(F)F ZINC000826170749 608319304 /nfs/dbraw/zinc/31/93/04/608319304.db2.gz NZXPDPVKFAUMMZ-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM Fc1ccc(CNc2c(F)cc(Cl)cc2F)cc1-c1nnn[n-]1 ZINC000826374606 608388905 /nfs/dbraw/zinc/38/89/05/608388905.db2.gz FPEZZSWDTLHOFD-UHFFFAOYSA-N -1 3 339.708 3.550 20 0 EHADHM Fc1ccc(CNc2c(F)cc(Cl)cc2F)cc1-c1nn[n-]n1 ZINC000826374606 608388907 /nfs/dbraw/zinc/38/89/07/608388907.db2.gz FPEZZSWDTLHOFD-UHFFFAOYSA-N -1 3 339.708 3.550 20 0 EHADHM CC(C)(C)c1ccccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000824135465 608478468 /nfs/dbraw/zinc/47/84/68/608478468.db2.gz FJLZTSAHDJCWBQ-UHFFFAOYSA-N -1 3 325.391 3.915 20 0 EHADHM CC(C)(C)c1ccccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000824135465 608478470 /nfs/dbraw/zinc/47/84/70/608478470.db2.gz FJLZTSAHDJCWBQ-UHFFFAOYSA-N -1 3 325.391 3.915 20 0 EHADHM CC[C@@H](NCc1cccc(-c2nnn[n-]2)c1F)c1cc(F)ccc1F ZINC000825148684 608536737 /nfs/dbraw/zinc/53/67/37/608536737.db2.gz RRRMCLIQWHYTSA-OAHLLOKOSA-N -1 3 347.344 3.525 20 0 EHADHM CC[C@@H](NCc1cccc(-c2nn[n-]n2)c1F)c1cc(F)ccc1F ZINC000825148684 608536739 /nfs/dbraw/zinc/53/67/39/608536739.db2.gz RRRMCLIQWHYTSA-OAHLLOKOSA-N -1 3 347.344 3.525 20 0 EHADHM C[C@@H](NCc1cccc(-c2nnn[n-]2)c1F)c1c(F)cccc1Cl ZINC000824619697 608552880 /nfs/dbraw/zinc/55/28/80/608552880.db2.gz ZFDZWTLWPQPCPP-SECBINFHSA-N -1 3 349.772 3.649 20 0 EHADHM C[C@@H](NCc1cccc(-c2nn[n-]n2)c1F)c1c(F)cccc1Cl ZINC000824619697 608552881 /nfs/dbraw/zinc/55/28/81/608552881.db2.gz ZFDZWTLWPQPCPP-SECBINFHSA-N -1 3 349.772 3.649 20 0 EHADHM CCc1cccc(C)c1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825718273 608571652 /nfs/dbraw/zinc/57/16/52/608571652.db2.gz YLCODBRTABLQRM-UHFFFAOYSA-N -1 3 341.802 3.643 20 0 EHADHM CCc1cccc(C)c1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825718273 608571654 /nfs/dbraw/zinc/57/16/54/608571654.db2.gz YLCODBRTABLQRM-UHFFFAOYSA-N -1 3 341.802 3.643 20 0 EHADHM CC(C)N(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824284072 608574456 /nfs/dbraw/zinc/57/44/56/608574456.db2.gz BFMBAKCOLNIBHS-UHFFFAOYSA-N -1 3 341.802 3.575 20 0 EHADHM CC(C)N(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824284072 608574457 /nfs/dbraw/zinc/57/44/57/608574457.db2.gz BFMBAKCOLNIBHS-UHFFFAOYSA-N -1 3 341.802 3.575 20 0 EHADHM C[C@H](N[C@@H](C)c1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824532879 609152388 /nfs/dbraw/zinc/15/23/88/609152388.db2.gz XQTRMEFXJZVXJN-UWVGGRQHSA-N -1 3 347.344 3.696 20 0 EHADHM COc1c(C)ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1C ZINC000826167122 609157888 /nfs/dbraw/zinc/15/78/88/609157888.db2.gz QFROUWZGFAUBHZ-LBPRGKRZSA-N -1 3 341.390 3.804 20 0 EHADHM COc1c(C)ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1C ZINC000826167122 609157889 /nfs/dbraw/zinc/15/78/89/609157889.db2.gz QFROUWZGFAUBHZ-LBPRGKRZSA-N -1 3 341.390 3.804 20 0 EHADHM COCc1cccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000826164778 609174305 /nfs/dbraw/zinc/17/43/05/609174305.db2.gz PWXYAUORCNIHFL-SFHVURJKSA-N -1 3 335.411 3.503 20 0 EHADHM COCc1cccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826164778 609174306 /nfs/dbraw/zinc/17/43/06/609174306.db2.gz PWXYAUORCNIHFL-SFHVURJKSA-N -1 3 335.411 3.503 20 0 EHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1cc2ccccc2o1 ZINC000825480745 609179218 /nfs/dbraw/zinc/17/92/18/609179218.db2.gz ISMIGCBJBJDNMT-UHFFFAOYSA-N -1 3 334.383 3.657 20 0 EHADHM C[C@@H](Nc1cccc(COCC2CC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662082 609183456 /nfs/dbraw/zinc/18/34/56/609183456.db2.gz BUSXTKMDRCNKRA-CQSZACIVSA-N -1 3 349.438 3.966 20 0 EHADHM C[C@@H](Nc1cccc(COCC2CC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662082 609183458 /nfs/dbraw/zinc/18/34/58/609183458.db2.gz BUSXTKMDRCNKRA-CQSZACIVSA-N -1 3 349.438 3.966 20 0 EHADHM Fc1cc(F)c(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1F ZINC000826373079 609200212 /nfs/dbraw/zinc/20/02/12/609200212.db2.gz YSSMKVIBWXCAAI-UHFFFAOYSA-N -1 3 339.708 3.550 20 0 EHADHM Fc1cc(F)c(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1F ZINC000826373079 609200213 /nfs/dbraw/zinc/20/02/13/609200213.db2.gz YSSMKVIBWXCAAI-UHFFFAOYSA-N -1 3 339.708 3.550 20 0 EHADHM C[C@@H](Nc1ccc(N(C)C)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824658345 609276403 /nfs/dbraw/zinc/27/64/03/609276403.db2.gz WFMORSIPDWJTGO-LLVKDONJSA-N -1 3 342.834 3.759 20 0 EHADHM C[C@@H](Nc1ccc(N(C)C)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824658345 609276405 /nfs/dbraw/zinc/27/64/05/609276405.db2.gz WFMORSIPDWJTGO-LLVKDONJSA-N -1 3 342.834 3.759 20 0 EHADHM C[C@@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F)c1c(F)cccc1F ZINC000824530473 609327049 /nfs/dbraw/zinc/32/70/49/609327049.db2.gz LXRWPCYSBCBONF-VHSXEESVSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F)c1c(F)cccc1F ZINC000824530473 609327051 /nfs/dbraw/zinc/32/70/51/609327051.db2.gz LXRWPCYSBCBONF-VHSXEESVSA-N -1 3 347.344 3.696 20 0 EHADHM Cc1nc2cc(N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)ccc2s1 ZINC000826329218 609352030 /nfs/dbraw/zinc/35/20/30/609352030.db2.gz UQZMHYJIRMYSSG-JTQLQIEISA-N -1 3 336.424 3.958 20 0 EHADHM Cc1nc2cc(N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)ccc2s1 ZINC000826329218 609352032 /nfs/dbraw/zinc/35/20/32/609352032.db2.gz UQZMHYJIRMYSSG-JTQLQIEISA-N -1 3 336.424 3.958 20 0 EHADHM CC(C)Oc1cc(F)ccc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824319278 609408019 /nfs/dbraw/zinc/40/80/19/609408019.db2.gz KUIPBUCNFHHIPA-LBPRGKRZSA-N -1 3 341.390 3.966 20 0 EHADHM CC(C)Oc1cc(F)ccc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824319278 609408020 /nfs/dbraw/zinc/40/80/20/609408020.db2.gz KUIPBUCNFHHIPA-LBPRGKRZSA-N -1 3 341.390 3.966 20 0 EHADHM C[C@@H](NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824864346 609521173 /nfs/dbraw/zinc/52/11/73/609521173.db2.gz AMAOYOIJMBIUJN-IOASZLSFSA-N -1 3 341.459 3.506 20 0 EHADHM C[C@@H](NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824864346 609521174 /nfs/dbraw/zinc/52/11/74/609521174.db2.gz AMAOYOIJMBIUJN-IOASZLSFSA-N -1 3 341.459 3.506 20 0 EHADHM CC[C@@H](C)[C@@H](C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000825051869 609522637 /nfs/dbraw/zinc/52/26/37/609522637.db2.gz TZIKCVFYCZXRDB-HUUCEWRRSA-N -1 3 343.475 3.534 20 0 EHADHM CC[C@@H](C)[C@@H](C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000825051869 609522640 /nfs/dbraw/zinc/52/26/40/609522640.db2.gz TZIKCVFYCZXRDB-HUUCEWRRSA-N -1 3 343.475 3.534 20 0 EHADHM Cc1c(Cl)cnc(N2CCC[C@@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826238075 609526266 /nfs/dbraw/zinc/52/62/66/609526266.db2.gz VUCPKVHFXATDOD-CQSZACIVSA-N -1 3 340.818 3.565 20 0 EHADHM Cc1c(Cl)cnc(N2CCC[C@@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826238075 609526269 /nfs/dbraw/zinc/52/62/69/609526269.db2.gz VUCPKVHFXATDOD-CQSZACIVSA-N -1 3 340.818 3.565 20 0 EHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C2C[C@@H](C)C[C@H](C)C2)s1 ZINC000825693950 609532920 /nfs/dbraw/zinc/53/29/20/609532920.db2.gz HWPMWJQPEGFDCX-UWVGGRQHSA-N -1 3 333.461 3.501 20 0 EHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C2C[C@@H](C)C[C@H](C)C2)s1 ZINC000825693950 609532921 /nfs/dbraw/zinc/53/29/21/609532921.db2.gz HWPMWJQPEGFDCX-UWVGGRQHSA-N -1 3 333.461 3.501 20 0 EHADHM Cc1c2ccccc2oc1[C@H](C)Nc1nccc(C)c1-c1nnn[n-]1 ZINC000826311762 609538275 /nfs/dbraw/zinc/53/82/75/609538275.db2.gz MRVDSCXSWQBMRW-LBPRGKRZSA-N -1 3 334.383 3.798 20 0 EHADHM Cc1c2ccccc2oc1[C@H](C)Nc1nccc(C)c1-c1nn[n-]n1 ZINC000826311762 609538277 /nfs/dbraw/zinc/53/82/77/609538277.db2.gz MRVDSCXSWQBMRW-LBPRGKRZSA-N -1 3 334.383 3.798 20 0 EHADHM CCSc1ccc([C@@H](C)Nc2nccc(C)c2-c2nnn[n-]2)cc1 ZINC000825673827 609548872 /nfs/dbraw/zinc/54/88/72/609548872.db2.gz DAISWOLIZXJILL-GFCCVEGCSA-N -1 3 340.456 3.855 20 0 EHADHM CCSc1ccc([C@@H](C)Nc2nccc(C)c2-c2nn[n-]n2)cc1 ZINC000825673827 609548874 /nfs/dbraw/zinc/54/88/74/609548874.db2.gz DAISWOLIZXJILL-GFCCVEGCSA-N -1 3 340.456 3.855 20 0 EHADHM CC[C@@H](C)[C@H](C)C(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825050967 609599457 /nfs/dbraw/zinc/59/94/57/609599457.db2.gz MITFHVWIOHKBSA-MNOVXSKESA-N -1 3 335.839 3.555 20 0 EHADHM CC[C@@H](C)[C@H](C)C(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825050967 609599459 /nfs/dbraw/zinc/59/94/59/609599459.db2.gz MITFHVWIOHKBSA-MNOVXSKESA-N -1 3 335.839 3.555 20 0 EHADHM Cc1ccc(-c2cccc(CNCc3ccc(-c4nnn[n-]4)o3)c2)cc1 ZINC000822214183 945998522 /nfs/dbraw/zinc/99/85/22/945998522.db2.gz SSXKMPTYEGMKRH-UHFFFAOYSA-N -1 3 345.406 3.725 20 0 EHADHM Fc1ccc(CN2CC[C@H]2c2ccc(Cl)cc2)c(-c2nnn[n-]2)c1 ZINC000822766237 946169832 /nfs/dbraw/zinc/16/98/32/946169832.db2.gz GLKONLMEECYMBG-INIZCTEOSA-N -1 3 343.793 3.606 20 0 EHADHM Fc1ccc(CN2CC[C@H]2c2ccc(Cl)cc2)c(-c2nn[n-]n2)c1 ZINC000822766237 946169838 /nfs/dbraw/zinc/16/98/38/946169838.db2.gz GLKONLMEECYMBG-INIZCTEOSA-N -1 3 343.793 3.606 20 0 EHADHM C[C@H](Nc1nccc2ccc(F)cc21)c1cccc(-c2nnn[n-]2)c1 ZINC000824670642 946889293 /nfs/dbraw/zinc/88/92/93/946889293.db2.gz STWWDDMKPMPHCD-NSHDSACASA-N -1 3 334.358 3.727 20 0 EHADHM C[C@H](Nc1nccc2ccc(F)cc21)c1cccc(-c2nn[n-]n2)c1 ZINC000824670642 946889306 /nfs/dbraw/zinc/88/93/06/946889306.db2.gz STWWDDMKPMPHCD-NSHDSACASA-N -1 3 334.358 3.727 20 0 EHADHM CCCCC[C@@H](CC)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825268586 947137939 /nfs/dbraw/zinc/13/79/39/947137939.db2.gz VMQXIIPAKHDYQY-ZIAGYGMSSA-N -1 3 329.448 3.650 20 0 EHADHM CCCCC[C@@H](CC)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825268586 947137942 /nfs/dbraw/zinc/13/79/42/947137942.db2.gz VMQXIIPAKHDYQY-ZIAGYGMSSA-N -1 3 329.448 3.650 20 0 EHADHM CC(C)(C)Cc1ccccc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001463835091 948528126 /nfs/dbraw/zinc/52/81/26/948528126.db2.gz PKYCKWDZELUSCF-UHFFFAOYSA-N -1 3 335.411 3.708 20 0 EHADHM CC(C)(C)Cc1ccccc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001463835091 948528131 /nfs/dbraw/zinc/52/81/31/948528131.db2.gz PKYCKWDZELUSCF-UHFFFAOYSA-N -1 3 335.411 3.708 20 0 EHADHM CC(C)c1cnc(SCc2ccc(-c3nnn[n-]3)cc2)n1C1CC1 ZINC001574424323 948847621 /nfs/dbraw/zinc/84/76/21/948847621.db2.gz KGQKADOKXMRSIX-UHFFFAOYSA-N -1 3 340.456 3.814 20 0 EHADHM CC(C)c1cnc(SCc2ccc(-c3nn[n-]n3)cc2)n1C1CC1 ZINC001574424323 948847640 /nfs/dbraw/zinc/84/76/40/948847640.db2.gz KGQKADOKXMRSIX-UHFFFAOYSA-N -1 3 340.456 3.814 20 0 EHADHM CC(C)CC1(C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)CCCC1 ZINC001574167881 950496436 /nfs/dbraw/zinc/49/64/36/950496436.db2.gz KVVFFZUKWGSBAS-UHFFFAOYSA-N -1 3 331.395 3.551 20 0 EHADHM CC(C)CC1(C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)CCCC1 ZINC001574167881 950496457 /nfs/dbraw/zinc/49/64/57/950496457.db2.gz KVVFFZUKWGSBAS-UHFFFAOYSA-N -1 3 331.395 3.551 20 0 EHADHM C[C@H](c1cccc(Br)c1)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000302493628 950566756 /nfs/dbraw/zinc/56/67/56/950566756.db2.gz JMYQHPXCLLSKLI-GYSYKLTISA-N -1 3 326.234 3.553 20 0 EHADHM C[C@@H](CC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1)CC(C)(C)C ZINC001574520664 950743733 /nfs/dbraw/zinc/74/37/33/950743733.db2.gz WOFGQUPWIDSIHO-QWHCGFSZSA-N -1 3 330.432 3.933 20 0 EHADHM C[C@@H](CC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1)CC(C)(C)C ZINC001574520664 950743756 /nfs/dbraw/zinc/74/37/56/950743756.db2.gz WOFGQUPWIDSIHO-QWHCGFSZSA-N -1 3 330.432 3.933 20 0 EHADHM CC(C)(C)c1ccc2c(c1)CCN2Cc1csc(-c2nnn[n-]2)c1 ZINC001573881932 950759251 /nfs/dbraw/zinc/75/92/51/950759251.db2.gz KDVJRSFIJPXOQX-UHFFFAOYSA-N -1 3 339.468 3.788 20 0 EHADHM CC(C)(C)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC001573882205 950772279 /nfs/dbraw/zinc/77/22/79/950772279.db2.gz XQFCRACGAIIIGQ-UHFFFAOYSA-N -1 3 339.374 3.556 20 0 EHADHM CC(C)(C)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC001573882205 950772294 /nfs/dbraw/zinc/77/22/94/950772294.db2.gz XQFCRACGAIIIGQ-UHFFFAOYSA-N -1 3 339.374 3.556 20 0 EHADHM Cc1ccc(Br)cc1CN1CCCC[C@@H]1CC(=O)[O-] ZINC000313610582 950791141 /nfs/dbraw/zinc/79/11/41/950791141.db2.gz KRHOWHVACKHLQH-CQSZACIVSA-N -1 3 326.234 3.587 20 0 EHADHM C[C@@H]1CCc2sc(NC(=O)C(C)(C)C)c(-c3nnn[n-]3)c2[C@@H]1C ZINC001576219860 950820686 /nfs/dbraw/zinc/82/06/86/950820686.db2.gz VTPYGIONAQXYRE-RKDXNWHRSA-N -1 3 333.461 3.599 20 0 EHADHM C[C@@H]1CCc2sc(NC(=O)C(C)(C)C)c(-c3nn[n-]n3)c2[C@@H]1C ZINC001576219860 950820702 /nfs/dbraw/zinc/82/07/02/950820702.db2.gz VTPYGIONAQXYRE-RKDXNWHRSA-N -1 3 333.461 3.599 20 0 EHADHM O=C([O-])c1ccc(F)c(CN2CC[C@H](COCc3ccccc3)C2)c1 ZINC000383757571 971892802 /nfs/dbraw/zinc/89/28/02/971892802.db2.gz KAGLRHPLAXEGLG-INIZCTEOSA-N -1 3 343.398 3.563 20 0 EHADHM O=C([O-])CN(Cc1ccc(Cl)cc1Br)C1CCC1 ZINC000570826396 953658020 /nfs/dbraw/zinc/65/80/20/953658020.db2.gz DQAXSGWZJICEJJ-UHFFFAOYSA-N -1 3 332.625 3.542 20 0 EHADHM CN(CCC(=O)[O-])Cc1cc(F)ccc1Oc1cncc(Cl)c1 ZINC001593740000 954349990 /nfs/dbraw/zinc/34/99/90/954349990.db2.gz CJPZOHWTUSLDGG-UHFFFAOYSA-N -1 3 338.766 3.573 20 0 EHADHM C[C@]1(c2cccc(F)c2)CCN(CCOc2ccccc2C(=O)[O-])C1 ZINC000844839572 955680459 /nfs/dbraw/zinc/68/04/59/955680459.db2.gz YXSGTMFPEXOYJJ-FQEVSTJZSA-N -1 3 343.398 3.566 20 0 EHADHM C[C@@](NCCC(F)(F)F)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000063102416 957634252 /nfs/dbraw/zinc/63/42/52/957634252.db2.gz QFCYXCHYMBXCMF-NSHDSACASA-N -1 3 330.133 3.835 20 0 EHADHM O=C([O-])c1ccc(CN[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)s1 ZINC001574802796 957841908 /nfs/dbraw/zinc/84/19/08/957841908.db2.gz NCQYQAPBLVKTFX-HOCLYGCPSA-N -1 3 335.400 3.595 20 0 EHADHM CCCN(CCCC(=O)[O-])CC(=O)Nc1ccc(Cl)cc1Cl ZINC000116348958 958458569 /nfs/dbraw/zinc/45/85/69/958458569.db2.gz DGRZJXMALYRILF-UHFFFAOYSA-N -1 3 347.242 3.509 20 0 EHADHM C[C@H](NCc1c(Cl)cncc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603248672 972415576 /nfs/dbraw/zinc/41/55/76/972415576.db2.gz 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/nfs/dbraw/zinc/09/10/79/975091079.db2.gz FVMYIARNNQVUAH-UHFFFAOYSA-N -1 3 326.396 3.806 20 0 EHADHM CC(C)(C)c1cnc(CNC[C@@](C)(C(=O)[O-])c2ccccc2)s1 ZINC000650803452 975456679 /nfs/dbraw/zinc/45/66/79/975456679.db2.gz JSHVLBJLLZXCIB-GOSISDBHSA-N -1 3 332.469 3.573 20 0 EHADHM Cn1c(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)nc2cc(Cl)ccc21 ZINC000652500042 975562774 /nfs/dbraw/zinc/56/27/74/975562774.db2.gz YBUPHSDZYHUXPP-GFCCVEGCSA-N -1 3 349.862 3.550 20 0 EHADHM C[C@@H](c1nc2ccccc2n1C(F)F)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000652514908 975570411 /nfs/dbraw/zinc/57/04/11/975570411.db2.gz GXYZOBPEPRWOLV-WCFLWFBJSA-N -1 3 349.381 3.535 20 0 EHADHM C[C@@H](CC(C)(C)CC(=O)[O-])N[C@H](CO)c1cccc(Cl)c1Cl ZINC001592443838 978099792 /nfs/dbraw/zinc/09/97/92/978099792.db2.gz HAWNHOYBWCFGKP-GXFFZTMASA-N -1 3 348.270 3.896 20 0 EHADHM COC[C@H](NCc1cccc([O-])c1Br)c1ccc(C)o1 ZINC000459418598 1032092290 /nfs/dbraw/zinc/09/22/90/1032092290.db2.gz DFAYNHJPKIOBHR-LBPRGKRZSA-N -1 3 340.217 3.533 20 0 EHADHM Cc1nccc([N-]S(=O)(=O)c2c(F)cccc2Cl)c1Cl ZINC000153568512 1014561904 /nfs/dbraw/zinc/56/19/04/1014561904.db2.gz YHCSFNJBYUVDKI-UHFFFAOYSA-N -1 3 335.187 3.637 20 0 EHADHM CCC(CC)(CNCc1ccccc1OCC(=O)[O-])C(F)(F)F ZINC001595079525 979364137 /nfs/dbraw/zinc/36/41/37/979364137.db2.gz QVSYONAQEAYRHH-UHFFFAOYSA-N -1 3 333.350 3.608 20 0 EHADHM CN(Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1CC(=O)[O-] ZINC000846229711 979415235 /nfs/dbraw/zinc/41/52/35/979415235.db2.gz DGYMSWOSDHHPED-UHFFFAOYSA-N -1 3 337.341 3.965 20 0 EHADHM O=C([O-])C[C@H](NCc1oc2ccccc2c1Br)C1CC1 ZINC000846779939 979465602 /nfs/dbraw/zinc/46/56/02/979465602.db2.gz JHGWAFIBZPSJMH-NSHDSACASA-N -1 3 338.201 3.538 20 0 EHADHM C[C@H]1SCCN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)[C@@H]1C ZINC000859787824 979631137 /nfs/dbraw/zinc/63/11/37/979631137.db2.gz PDGJRKHPUGBFCA-CHWSQXEVSA-N -1 3 331.437 3.971 20 0 EHADHM COc1ccc(C(=O)[O-])c2c1CN(C[C@@H]1C(C)=CCC[C@@H]1C)CC2 ZINC000871621341 979961544 /nfs/dbraw/zinc/96/15/44/979961544.db2.gz ZBNMHCPKRNEDCJ-WMLDXEAASA-N -1 3 329.440 3.744 20 0 EHADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccccc2C)ccc1OC(C)C ZINC000871882179 979980977 /nfs/dbraw/zinc/98/09/77/979980977.db2.gz AULFWCYODHPFPN-LJQANCHMSA-N -1 3 343.423 3.706 20 0 EHADHM Cc1ccc(OC2CCN(Cc3cc(C(=O)[O-])cs3)CC2)cc1 ZINC000872157794 980040430 /nfs/dbraw/zinc/04/04/30/980040430.db2.gz UBFXTMQPYMTABR-UHFFFAOYSA-N -1 3 331.437 3.798 20 0 EHADHM Cc1cc(CN2CCC(C(F)(F)F)CC2)cc(C)c1OCC(=O)[O-] ZINC000901416467 980262112 /nfs/dbraw/zinc/26/21/12/980262112.db2.gz DGQAEHMZPIHSDI-UHFFFAOYSA-N -1 3 345.361 3.541 20 0 EHADHM O=C([O-])/C=C\c1ccc(CN2CCC(OCc3ccccc3)CC2)o1 ZINC000901422094 980267792 /nfs/dbraw/zinc/26/77/92/980267792.db2.gz MKRNLCBWENSCCN-HJWRWDBZSA-N -1 3 341.407 3.559 20 0 EHADHM CC[C@@H](N[C@H](C)c1cncc(C(=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC001595280935 980327898 /nfs/dbraw/zinc/32/78/98/980327898.db2.gz FITNDDPHDQEIMA-MLGOLLRUSA-N -1 3 344.411 3.599 20 0 EHADHM CC[C@@H](C)C[C@H](NCc1csc(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000901682180 980447391 /nfs/dbraw/zinc/44/73/91/980447391.db2.gz OBJSAEZNOVTNPX-ABAIWWIYSA-N -1 3 336.432 3.928 20 0 EHADHM Cc1cc2cc(CN3CC[C@](C(=O)[O-])(C(F)(F)F)C3)oc2cc1C ZINC000901789393 980519996 /nfs/dbraw/zinc/51/99/96/980519996.db2.gz LLHXAHWJPULAJS-INIZCTEOSA-N -1 3 341.329 3.889 20 0 EHADHM CC[C@@](NCc1cnn(C(C)(C)C)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000901871428 980583708 /nfs/dbraw/zinc/58/37/08/980583708.db2.gz CZWUFPDFMUIXQB-SFHVURJKSA-N -1 3 349.862 3.771 20 0 EHADHM O=C([O-])c1ccc2c(c1)[C@H](CNCc1csc(C3CC3)n1)CCC2 ZINC000901876361 980592064 /nfs/dbraw/zinc/59/20/64/980592064.db2.gz DNDURQKNWIGHOG-HNNXBMFYSA-N -1 3 342.464 3.928 20 0 EHADHM Cc1cccnc1[C@@H]1CCC[C@@H](N[C@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC000901911395 980623724 /nfs/dbraw/zinc/62/37/24/980623724.db2.gz KJKOMFNQYUSCNF-MGPQQGTHSA-N -1 3 345.468 3.922 20 0 EHADHM C[C@H]1CCCN(Cc2ccc(C(=O)[O-])c(Br)c2)CC1 ZINC000902191039 980776463 /nfs/dbraw/zinc/77/64/63/980776463.db2.gz HYTKKWBNGPXRAN-NSHDSACASA-N -1 3 326.234 3.769 20 0 EHADHM CC[C@H](c1ccccc1)N(CC(=O)OC)C[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001595362933 980777039 /nfs/dbraw/zinc/77/70/39/980777039.db2.gz UAXBIJDSAUXYHX-RCCFBDPRSA-N -1 3 347.455 3.504 20 0 EHADHM Cc1oc(C(=O)[O-])cc1CN[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000902351689 980845777 /nfs/dbraw/zinc/84/57/77/980845777.db2.gz QRCYGGLMTXDGKF-PBHICJAKSA-N -1 3 329.396 3.544 20 0 EHADHM CC(C)(C)c1nnc(CN[C@@H]2CCC[C@@H](CCCC(=O)[O-])C2)s1 ZINC000902401153 980871620 /nfs/dbraw/zinc/87/16/20/980871620.db2.gz GYUUKQMYEVKAES-QWHCGFSZSA-N -1 3 339.505 3.739 20 0 EHADHM CCc1oc(CN[C@H]2C[C@@H](OC(C)(C)C)C23CCC3)cc1C(=O)[O-] ZINC000902461967 980899316 /nfs/dbraw/zinc/89/93/16/980899316.db2.gz YOVHFEHRZKJTTN-JKSUJKDBSA-N -1 3 335.444 3.756 20 0 EHADHM CCc1oc(CN2CCc3ccc(F)cc3[C@@H](C)C2)cc1C(=O)[O-] ZINC000902471813 980902129 /nfs/dbraw/zinc/90/21/29/980902129.db2.gz IHZSYLCZDZBVMA-LBPRGKRZSA-N -1 3 331.387 3.841 20 0 EHADHM CCCCO[C@H]1C[C@@H](N(C)Cc2cc(C(=O)[O-])c(CC)o2)C1(C)C ZINC000902522739 980920135 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ZINC000552435661 1039282277 /nfs/dbraw/zinc/28/22/77/1039282277.db2.gz SVCSWTYMRYFPJP-UHFFFAOYSA-N -1 3 331.755 3.982 20 0 EHADHM Cc1ccc(-c2noc(-c3cc(=O)[n-]c(C4CC4)n3)n2)cc1Cl ZINC000906118149 1039315184 /nfs/dbraw/zinc/31/51/84/1039315184.db2.gz HFMMDLRLRIVWNN-UHFFFAOYSA-N -1 3 328.759 3.738 20 0 EHADHM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)N=c1cc2ccccn2[n-]1 ZINC000554437395 1039327323 /nfs/dbraw/zinc/32/73/23/1039327323.db2.gz WJFAEVAOCBFMID-OAHLLOKOSA-N -1 3 334.423 3.589 20 0 EHADHM CN(Cc1ncccc1[O-])[C@H]1CCOc2ccc(Br)cc21 ZINC000567311839 1039362363 /nfs/dbraw/zinc/36/23/63/1039362363.db2.gz WYWITGSYASZZMF-AWEZNQCLSA-N -1 3 349.228 3.505 20 0 EHADHM CC[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccccc1 ZINC000488757394 1039375972 /nfs/dbraw/zinc/37/59/72/1039375972.db2.gz HCUZIHDCOUFYHS-LBPRGKRZSA-N -1 3 341.835 3.951 20 0 EHADHM COc1ccc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)c(C)c1 ZINC000074829583 1039391126 /nfs/dbraw/zinc/39/11/26/1039391126.db2.gz YDTVCQZZUWKBEN-UHFFFAOYSA-N -1 3 342.420 3.595 20 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/nfs/dbraw/zinc/97/40/37/1039974037.db2.gz GBQQOUPTQIMIOW-JTQLQIEISA-N -1 3 337.313 3.847 20 0 EHADHM COc1ccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)c(C)c1OC ZINC000417571143 1040006372 /nfs/dbraw/zinc/00/63/72/1040006372.db2.gz XAPSKFBTOKTCJC-INIZCTEOSA-N -1 3 349.814 3.581 20 0 EHADHM Cc1nn(C(C)C)cc1CN[C@H](C(=O)[O-])c1ccc(Cl)c(C)c1 ZINC000417578519 1040024891 /nfs/dbraw/zinc/02/48/91/1040024891.db2.gz YTCHLNWYWQTVBH-INIZCTEOSA-N -1 3 335.835 3.650 20 0 EHADHM COc1ccc([C@@H](NCc2ccc(C3CC3)cc2)C(=O)[O-])cc1F ZINC000417578502 1040025763 /nfs/dbraw/zinc/02/57/63/1040025763.db2.gz YSKLTSZUXCTUPD-GOSISDBHSA-N -1 3 329.371 3.627 20 0 EHADHM C[C@@H](CNCc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)[O-] ZINC000417580867 1040027026 /nfs/dbraw/zinc/02/70/26/1040027026.db2.gz DURKNODVVBBMOR-VIFPVBQESA-N -1 3 344.358 3.639 20 0 EHADHM CCC[C@@H](NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)C1CCC1 ZINC000899160730 1040085863 /nfs/dbraw/zinc/08/58/63/1040085863.db2.gz BTNPNYOWFJSNOC-OAHLLOKOSA-N -1 3 334.366 3.505 20 0 EHADHM CO[C@H](CNCc1ccc(-c2ccc(C(C)(C)C)cc2)o1)CC(=O)[O-] ZINC000417634127 1040096163 /nfs/dbraw/zinc/09/61/63/1040096163.db2.gz HXQKJKDVNNFVJO-KRWDZBQOSA-N -1 3 345.439 3.823 20 0 EHADHM CCOc1c(Cl)cccc1CC(=O)[N-]OCc1ccc(F)cc1 ZINC000190230169 1040364377 /nfs/dbraw/zinc/36/43/77/1040364377.db2.gz HZOUCIUEKBDRQE-UHFFFAOYSA-N -1 3 337.778 3.668 20 0 EHADHM Cc1ccc([O-])c(C(=O)Nc2nnc(/C=C\c3ccco3)s2)c1 ZINC000490346312 1040505872 /nfs/dbraw/zinc/50/58/72/1040505872.db2.gz TZUGFRHSIIGTII-ALCCZGGFSA-N -1 3 327.365 3.568 20 0 EHADHM COc1cccc(N(CC(C)C)C(=O)c2ccc(C(C)=O)c([O-])c2)c1 ZINC000667541266 1040538911 /nfs/dbraw/zinc/53/89/11/1040538911.db2.gz KDQZQJGVRHKRLF-UHFFFAOYSA-N -1 3 341.407 3.906 20 0 EHADHM CCCCCCN(C)CC(=O)Nc1cccc([O-])c1Br ZINC000908713980 1040607292 /nfs/dbraw/zinc/60/72/92/1040607292.db2.gz XVAMVFGGSPUEMW-UHFFFAOYSA-N -1 3 343.265 3.605 20 0 EHADHM CC(C)(C)OCc1ccccc1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000411293578 1040671787 /nfs/dbraw/zinc/67/17/87/1040671787.db2.gz LQKKRZVOUDIBMV-UHFFFAOYSA-N -1 3 340.383 3.632 20 0 EHADHM COc1cc([C@@H](C)/N=C\c2cc(Cl)ccc2[O-])ccc1OCCO ZINC000054893736 1041062413 /nfs/dbraw/zinc/06/24/13/1041062413.db2.gz JVTSMMCSVFOXSA-WXYNYTDUSA-N -1 3 349.814 3.605 20 0 EHADHM O=C(Nc1cccc(N2CCCCC2)c1)c1c[n-]c2ccccc2c1=O ZINC000055368362 1041230828 /nfs/dbraw/zinc/23/08/28/1041230828.db2.gz ZZIDRDRUQRVKFJ-UHFFFAOYSA-N -1 3 347.418 3.771 20 0 EHADHM COC[C@H](C)Nc1ccccc1NC(=O)c1cc([O-])ccc1Cl ZINC000511758864 1041568420 /nfs/dbraw/zinc/56/84/20/1041568420.db2.gz RXNIBDFJUJSWAO-NSHDSACASA-N -1 3 334.803 3.745 20 0 EHADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccccc2C(F)(F)F)n1 ZINC000660745651 1041796376 /nfs/dbraw/zinc/79/63/76/1041796376.db2.gz SFHWZWGZPBJXLP-UHFFFAOYSA-N -1 3 325.334 3.534 20 0 EHADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cc(Cl)cc3cccnc32)n1 ZINC000660747553 1041803383 /nfs/dbraw/zinc/80/33/83/1041803383.db2.gz TXVNYZITNAUDQK-UHFFFAOYSA-N -1 3 342.830 3.717 20 0 EHADHM COCC1(CNC(=O)c2cc([O-])c3ccccc3c2)CCCCC1 ZINC000461470581 1042070841 /nfs/dbraw/zinc/07/08/41/1042070841.db2.gz XBGRGXPVXODLSW-UHFFFAOYSA-N -1 3 327.424 3.872 20 0 EHADHM COc1ccc(C2CCN(Cc3cccc([O-])c3Cl)CC2)nc1 ZINC000651869963 1042129170 /nfs/dbraw/zinc/12/91/70/1042129170.db2.gz MGDBVWPZFVHTHO-UHFFFAOYSA-N -1 3 332.831 3.829 20 0 EHADHM O=C([N-]NC(=O)c1cccc(Cl)c1)c1cccc(Cl)c1Cl ZINC000015903244 1042602054 /nfs/dbraw/zinc/60/20/54/1042602054.db2.gz JFYLBSFJSSNHNB-UHFFFAOYSA-N -1 3 343.597 3.722 20 0 EHADHM CC(=O)Nc1cccc(N=Cc2cc(Br)ccc2[O-])c1 ZINC000254630963 1042611956 /nfs/dbraw/zinc/61/19/56/1042611956.db2.gz NTLJDWYQRYMNSQ-UHFFFAOYSA-N -1 3 333.185 3.864 20 0 EHADHM COc1cc(OC)c2c(c1)N(C(=O)c1ccc(C)c(C)c1[O-])CCC2 ZINC000628701254 1042701565 /nfs/dbraw/zinc/70/15/65/1042701565.db2.gz PCHJHVZOGCNVLX-UHFFFAOYSA-N -1 3 341.407 3.619 20 0 EHADHM Cc1ccc(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)c([O-])c1 ZINC000187024641 1042746063 /nfs/dbraw/zinc/74/60/63/1042746063.db2.gz ANKKTCHMMYOAJY-UGSOOPFHSA-N -1 3 345.826 3.956 20 0 EHADHM Cc1ccc(OCCCN2CCc3ccc(C(=O)[O-])cc3C2)cc1C ZINC000327094746 1043470800 /nfs/dbraw/zinc/47/08/00/1043470800.db2.gz AIFWVYZBPUJAHJ-UHFFFAOYSA-N -1 3 339.435 3.829 20 0 EHADHM CCc1cc(=O)[n-]c(CN(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)n1 ZINC000344365736 1043747599 /nfs/dbraw/zinc/74/75/99/1043747599.db2.gz FBSIIJJECYEVGF-BLLLJJGKSA-N -1 3 327.428 3.626 20 0 EHADHM O=C1Nc2ccccc2C1=N[N-]c1nc(Cl)c(Cl)cc1Cl ZINC000006686131 1043986057 /nfs/dbraw/zinc/98/60/57/1043986057.db2.gz NVVAGVRVOQFPGA-UHFFFAOYSA-N -1 3 341.585 3.810 20 0 EHADHM O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000512256958 1044431783 /nfs/dbraw/zinc/43/17/83/1044431783.db2.gz DNLXTZOSLWBHGR-SJLPKXTDSA-N -1 3 346.430 3.984 20 0 EHADHM C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000153644060 1125642377 /nfs/dbraw/zinc/64/23/77/1125642377.db2.gz JKBDREXNAZTDOZ-HZMBPMFUSA-N -1 3 344.798 3.892 20 0 EHADHM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cccc(-c2cccs2)c1 ZINC000172591299 1126800091 /nfs/dbraw/zinc/80/00/91/1126800091.db2.gz FQWGWFXYJLQYKL-HNNXBMFYSA-N -1 3 337.466 3.726 20 0 EHADHM COc1ccc(C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)c(F)c1 ZINC000622892624 1126814629 /nfs/dbraw/zinc/81/46/29/1126814629.db2.gz ZXZIAZSDRITTLF-UHFFFAOYSA-N -1 3 345.761 3.552 20 0 EHADHM CC[C@H]1CN(Cc2c3ccccc3sc2C(=O)[O-])[C@@H](CC)CO1 ZINC000403764234 1126947007 /nfs/dbraw/zinc/94/70/07/1126947007.db2.gz PKHSKEDCFVQRBO-STQMWFEESA-N -1 3 333.453 3.989 20 0 EHADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)c1 ZINC000623482025 1126964110 /nfs/dbraw/zinc/96/41/10/1126964110.db2.gz RYWFUKUBONCMLQ-KUHUBIRLSA-N -1 3 325.408 3.557 20 0 EHADHM COc1ccc([C@H]2CCCN2C(=O)c2c(C)cccc2[O-])c(OC)c1 ZINC000623581509 1126990433 /nfs/dbraw/zinc/99/04/33/1126990433.db2.gz FFLKOPURHNUYQM-MRXNPFEDSA-N -1 3 341.407 3.695 20 0 EHADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(C)c1Cl)c1nccs1 ZINC000180317464 1127143560 /nfs/dbraw/zinc/14/35/60/1127143560.db2.gz AMGKMNKDIBGWRR-SNVBAGLBSA-N -1 3 330.862 3.535 20 0 EHADHM O=S(=O)(/C=C\c1ccc(Cl)cc1)Nc1ccc(F)cc1[O-] ZINC000765101384 1127575033 /nfs/dbraw/zinc/57/50/33/1127575033.db2.gz FBVXXLFYKRAWHH-FPLPWBNLSA-N -1 3 327.764 3.597 20 0 EHADHM CCCCc1nc(NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C[C@H]2C)c(C(=O)OCC)[n-]1 ZINC001127965088 1127756868 /nfs/dbraw/zinc/75/68/68/1127756868.db2.gz NCVMMKFCXWQXQT-ZOBORPQBSA-N -1 3 347.459 3.550 20 0 EHADHM COc1ccc(C(=O)N2CCC(=Cc3cccc(F)c3)CC2)c([O-])c1 ZINC000042764930 1127900525 /nfs/dbraw/zinc/90/05/25/1127900525.db2.gz QMKAKAPIEWLGLF-UHFFFAOYSA-N -1 3 341.382 3.860 20 0 EHADHM Cc1ccc(C(=O)N2CCC(OCc3ccccc3)CC2)c([O-])c1 ZINC000046728790 1127989278 /nfs/dbraw/zinc/98/92/78/1127989278.db2.gz RLGQRHQVXXVNJK-UHFFFAOYSA-N -1 3 325.408 3.522 20 0 EHADHM Cc1ccc(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)c([O-])c1 ZINC000058481882 1128070078 /nfs/dbraw/zinc/07/00/78/1128070078.db2.gz ZSTHPLNCOAOITG-ZDUSSCGKSA-N -1 3 345.468 3.641 20 0 EHADHM CCCCC1CCC(NC(=O)c2cc(NC(C)=O)ccc2[O-])CC1 ZINC000063110015 1128139127 /nfs/dbraw/zinc/13/91/27/1128139127.db2.gz QASAQRNDFWDSTO-UHFFFAOYSA-N -1 3 332.444 3.829 20 0 EHADHM C[C@@H]1OCC[C@]1(C)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC001127995718 1128198000 /nfs/dbraw/zinc/19/80/00/1128198000.db2.gz ZQHQOHQMXLMMTQ-SDBXPKJASA-N -1 3 338.181 3.769 20 0 EHADHM CCN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@@H](C)c1ccc(F)cc1 ZINC000065793135 1128201640 /nfs/dbraw/zinc/20/16/40/1128201640.db2.gz GPAKHLBVFJAESR-ZDUSSCGKSA-N -1 3 338.382 3.891 20 0 EHADHM CC(=O)N[C@H](CC(=O)Nc1cc(Cl)ccc1[O-])c1ccc(C)cc1 ZINC000067145522 1128235204 /nfs/dbraw/zinc/23/52/04/1128235204.db2.gz NELOSRHIGVUEMR-OAHLLOKOSA-N -1 3 346.814 3.560 20 0 EHADHM CN(Cc1cc(Br)ccc1F)C(=O)c1ccccc1[O-] ZINC000074418559 1128340881 /nfs/dbraw/zinc/34/08/81/1128340881.db2.gz LMUVCFUWHYXPIN-UHFFFAOYSA-N -1 3 338.176 3.566 20 0 EHADHM COCCCCN(Cc1ccccc1)C(=O)c1c(C)cccc1[O-] ZINC000624595826 1128402725 /nfs/dbraw/zinc/40/27/25/1128402725.db2.gz YKSRRBSDODLERC-UHFFFAOYSA-N -1 3 327.424 3.770 20 0 EHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1Cl ZINC000055554904 1128523289 /nfs/dbraw/zinc/52/32/89/1128523289.db2.gz KZVVLOQWFIRXMK-UHFFFAOYSA-N -1 3 335.734 3.867 20 0 EHADHM O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cccc2n[n-]nc21 ZINC000542821287 1128665109 /nfs/dbraw/zinc/66/51/09/1128665109.db2.gz DHEOXEJARACFKT-UHFFFAOYSA-N -1 3 326.359 3.781 20 0 EHADHM COCc1cc(CNC(=O)c2cc([O-])c3ccccc3c2)ccc1F ZINC000354254753 1128721741 /nfs/dbraw/zinc/72/17/41/1128721741.db2.gz LMLWZPRRNUQVOW-UHFFFAOYSA-N -1 3 339.366 3.761 20 0 EHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCOC[C@H]1c1ccccc1 ZINC000354900663 1128863296 /nfs/dbraw/zinc/86/32/96/1128863296.db2.gz NAXSQCJCBOLHDM-IBGZPJMESA-N -1 3 333.387 3.759 20 0 EHADHM COc1cc(CNc2cccc([C@@H](C)OC)c2)c([N+](=O)[O-])cc1[O-] ZINC000128813253 1120036297 /nfs/dbraw/zinc/03/62/97/1120036297.db2.gz PCTWVWJBYWYTDN-LLVKDONJSA-N -1 3 332.356 3.629 20 0 EHADHM O=C(Nc1ccc2occc2c1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001648846544 1120053526 /nfs/dbraw/zinc/05/35/26/1120053526.db2.gz BBMKVUHKDJMAPF-UHFFFAOYSA-N -1 3 340.285 3.805 20 0 EHADHM COc1cc(CNc2ccc(CCSC)cc2)c([N+](=O)[O-])cc1[O-] ZINC000129086872 1120140647 /nfs/dbraw/zinc/14/06/47/1120140647.db2.gz QVXAAVSACRLRCX-UHFFFAOYSA-N -1 3 348.424 3.827 20 0 EHADHM CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000456823869 1120367544 /nfs/dbraw/zinc/36/75/44/1120367544.db2.gz AGVYIHOVTIDNRX-HUUCEWRRSA-N -1 3 326.440 3.864 20 0 EHADHM COC(=O)c1cnc(SCc2csc(-c3ccccc3F)n2)[n-]1 ZINC000187598502 1120505367 /nfs/dbraw/zinc/50/53/67/1120505367.db2.gz MXKCIQPILDIPOM-UHFFFAOYSA-N -1 3 349.412 3.751 20 0 EHADHM CCc1ncsc1C(=O)[N-]c1nnc(/C=C/c2ccco2)s1 ZINC000152569601 1120542708 /nfs/dbraw/zinc/54/27/08/1120542708.db2.gz RRZAOEFUMQGVNL-AATRIKPKSA-N -1 3 332.410 3.573 20 0 EHADHM CC(C)(C)OC(=O)Nc1ccccc1CC(=O)[N-]OC1CCCC1 ZINC000494607530 1120686169 /nfs/dbraw/zinc/68/61/69/1120686169.db2.gz LJLKRSOCZSKVAG-UHFFFAOYSA-N -1 3 334.416 3.567 20 0 EHADHM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ncccc1[O-] ZINC000192734254 1120745896 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ZINC000822727890 607310913 /nfs/dbraw/zinc/31/09/13/607310913.db2.gz ATJIPGLUWMOPEF-UHFFFAOYSA-N -1 3 325.319 3.559 20 0 EHADHM C[C@H](Nc1ncccc1-c1nnn[n-]1)c1cccc(Cl)c1Cl ZINC000736139166 599267780 /nfs/dbraw/zinc/26/77/80/599267780.db2.gz UHSRJAKGFQKVTP-QMMMGPOBSA-N -1 3 335.198 3.742 20 0 EHADHM C[C@H](Nc1ncccc1-c1nn[n-]n1)c1cccc(Cl)c1Cl ZINC000736139166 599267781 /nfs/dbraw/zinc/26/77/81/599267781.db2.gz UHSRJAKGFQKVTP-QMMMGPOBSA-N -1 3 335.198 3.742 20 0 EHADHM CC[C@@H](C)[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1ccccc1 ZINC000820859280 607321605 /nfs/dbraw/zinc/32/16/05/607321605.db2.gz CSAICTQNFJKNBH-FZKQIMNGSA-N -1 3 349.438 3.944 20 0 EHADHM CC[C@@H](C)[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1ccccc1 ZINC000820859280 607321606 /nfs/dbraw/zinc/32/16/06/607321606.db2.gz CSAICTQNFJKNBH-FZKQIMNGSA-N -1 3 349.438 3.944 20 0 EHADHM Clc1cc(-c2nnn[n-]2)ccc1SCc1noc2c1CCCC2 ZINC000826351048 607844756 /nfs/dbraw/zinc/84/47/56/607844756.db2.gz VPLGAJQUYQQBRL-UHFFFAOYSA-N -1 3 347.831 3.679 20 0 EHADHM Clc1cc(-c2nn[n-]n2)ccc1SCc1noc2c1CCCC2 ZINC000826351048 607844757 /nfs/dbraw/zinc/84/47/57/607844757.db2.gz VPLGAJQUYQQBRL-UHFFFAOYSA-N -1 3 347.831 3.679 20 0 EHADHM Fc1cc(F)c(Sc2cccc(F)c2-c2nnn[n-]2)c(F)c1 ZINC000737644691 598241052 /nfs/dbraw/zinc/24/10/52/598241052.db2.gz KBXOOJZEZTYWNI-UHFFFAOYSA-N -1 3 326.278 3.574 20 0 EHADHM CC[C@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)C(C)C ZINC000736331413 598277658 /nfs/dbraw/zinc/27/76/58/598277658.db2.gz JPLDVKKZRDSPAL-LLVKDONJSA-N -1 3 347.488 3.818 20 0 EHADHM CC[C@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)C(C)C ZINC000736331413 598277660 /nfs/dbraw/zinc/27/76/60/598277660.db2.gz JPLDVKKZRDSPAL-LLVKDONJSA-N -1 3 347.488 3.818 20 0 EHADHM CC(C)Oc1ccc(COc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000735915963 598315205 /nfs/dbraw/zinc/31/52/05/598315205.db2.gz WOAZDNBMZUBGLJ-UHFFFAOYSA-N -1 3 344.802 3.886 20 0 EHADHM CC(C)Oc1ccc(COc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000735915963 598315207 /nfs/dbraw/zinc/31/52/07/598315207.db2.gz WOAZDNBMZUBGLJ-UHFFFAOYSA-N -1 3 344.802 3.886 20 0 EHADHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(Cl)s1 ZINC000736137651 598388626 /nfs/dbraw/zinc/38/86/26/598388626.db2.gz NKWRTIUJWGWWCX-LURJTMIESA-N -1 3 341.227 3.803 20 0 EHADHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(Cl)s1 ZINC000736137651 598388627 /nfs/dbraw/zinc/38/86/27/598388627.db2.gz NKWRTIUJWGWWCX-LURJTMIESA-N -1 3 341.227 3.803 20 0 EHADHM Cc1cc(C)cc([C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737253770 598426447 /nfs/dbraw/zinc/42/64/47/598426447.db2.gz SRICJOUVDWNMOL-LLVKDONJSA-N -1 3 328.807 3.705 20 0 EHADHM Cc1cc(C)cc([C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000737253770 598426448 /nfs/dbraw/zinc/42/64/48/598426448.db2.gz SRICJOUVDWNMOL-LLVKDONJSA-N -1 3 328.807 3.705 20 0 EHADHM C[C@H](OC(=O)c1ccc(C(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736158495 598483007 /nfs/dbraw/zinc/48/30/07/598483007.db2.gz QTFIRHOIVBQUIR-JTQLQIEISA-N -1 3 344.321 3.722 20 0 EHADHM C[C@H](OC(=O)c1ccc(C(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736158495 598483008 /nfs/dbraw/zinc/48/30/08/598483008.db2.gz QTFIRHOIVBQUIR-JTQLQIEISA-N -1 3 344.321 3.722 20 0 EHADHM CC(C)c1ccc(SCC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735928925 598568286 /nfs/dbraw/zinc/56/82/86/598568286.db2.gz RUVAJQMJDWOTFT-UHFFFAOYSA-N -1 3 338.436 3.965 20 0 EHADHM CC(C)c1ccc(SCC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735928925 598568287 /nfs/dbraw/zinc/56/82/87/598568287.db2.gz RUVAJQMJDWOTFT-UHFFFAOYSA-N -1 3 338.436 3.965 20 0 EHADHM CC(C)(C)c1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000735648172 598591742 /nfs/dbraw/zinc/59/17/42/598591742.db2.gz OMVGPEHVIKUDNH-UHFFFAOYSA-N -1 3 339.374 3.556 20 0 EHADHM CC(C)(C)c1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000735648172 598591743 /nfs/dbraw/zinc/59/17/43/598591743.db2.gz OMVGPEHVIKUDNH-UHFFFAOYSA-N -1 3 339.374 3.556 20 0 EHADHM Clc1cc(N2CCC(c3ccccc3)CC2)ccc1-c1nnn[n-]1 ZINC000737563798 598637898 /nfs/dbraw/zinc/63/78/98/598637898.db2.gz GKWMTGWAFLOAKU-UHFFFAOYSA-N -1 3 339.830 3.904 20 0 EHADHM Clc1cc(N2CCC(c3ccccc3)CC2)ccc1-c1nn[n-]n1 ZINC000737563798 598637900 /nfs/dbraw/zinc/63/79/00/598637900.db2.gz GKWMTGWAFLOAKU-UHFFFAOYSA-N -1 3 339.830 3.904 20 0 EHADHM CC(C)[C@@H](CC(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000735710588 598645275 /nfs/dbraw/zinc/64/52/75/598645275.db2.gz VPIRADYKECFIHY-QGZVFWFLSA-N -1 3 336.395 3.602 20 0 EHADHM CC(C)[C@@H](CC(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735710588 598645276 /nfs/dbraw/zinc/64/52/76/598645276.db2.gz VPIRADYKECFIHY-QGZVFWFLSA-N -1 3 336.395 3.602 20 0 EHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(C)c(Cl)c2)s1 ZINC000736679532 598654837 /nfs/dbraw/zinc/65/48/37/598654837.db2.gz WNOIEECXEVQJQH-UHFFFAOYSA-N -1 3 347.831 3.705 20 0 EHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(C)c(Cl)c2)s1 ZINC000736679532 598654838 /nfs/dbraw/zinc/65/48/38/598654838.db2.gz WNOIEECXEVQJQH-UHFFFAOYSA-N -1 3 347.831 3.705 20 0 EHADHM CCS[C@H]1CCCCN(c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000736667601 598749132 /nfs/dbraw/zinc/74/91/32/598749132.db2.gz WAPRCYCOUHMJHX-LBPRGKRZSA-N -1 3 337.880 3.632 20 0 EHADHM CCS[C@H]1CCCCN(c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000736667601 598749133 /nfs/dbraw/zinc/74/91/33/598749133.db2.gz WAPRCYCOUHMJHX-LBPRGKRZSA-N -1 3 337.880 3.632 20 0 EHADHM CC(C)(CCCc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000496366611 598789141 /nfs/dbraw/zinc/78/91/41/598789141.db2.gz VYPIDLXSCAQIFO-UHFFFAOYSA-N -1 3 349.438 3.854 20 0 EHADHM CC(C)(CCCc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000496366611 598789144 /nfs/dbraw/zinc/78/91/44/598789144.db2.gz VYPIDLXSCAQIFO-UHFFFAOYSA-N -1 3 349.438 3.854 20 0 EHADHM CC(C)Oc1cccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000735914636 598792415 /nfs/dbraw/zinc/79/24/15/598792415.db2.gz XRKHBWZGESPHJO-UHFFFAOYSA-N -1 3 343.818 3.919 20 0 EHADHM CC(C)Oc1cccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000735914636 598792416 /nfs/dbraw/zinc/79/24/16/598792416.db2.gz XRKHBWZGESPHJO-UHFFFAOYSA-N -1 3 343.818 3.919 20 0 EHADHM C[C@H]1C[C@@H]1c1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)o1 ZINC000736234749 598794383 /nfs/dbraw/zinc/79/43/83/598794383.db2.gz BRTQDNMUZQRUHF-CABZTGNLSA-N -1 3 329.791 3.849 20 0 EHADHM C[C@H]1C[C@@H]1c1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)o1 ZINC000736234749 598794385 /nfs/dbraw/zinc/79/43/85/598794385.db2.gz BRTQDNMUZQRUHF-CABZTGNLSA-N -1 3 329.791 3.849 20 0 EHADHM CC(C)c1nc(CCNc2ccc(Cl)cc2-c2nnn[n-]2)cs1 ZINC000735940006 598795440 /nfs/dbraw/zinc/79/54/40/598795440.db2.gz OGBCOMVUKPYUKZ-UHFFFAOYSA-N -1 3 348.863 3.755 20 0 EHADHM CC(C)c1nc(CCNc2ccc(Cl)cc2-c2nn[n-]n2)cs1 ZINC000735940006 598795441 /nfs/dbraw/zinc/79/54/41/598795441.db2.gz OGBCOMVUKPYUKZ-UHFFFAOYSA-N -1 3 348.863 3.755 20 0 EHADHM FC(F)(F)CCCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000822714965 599359008 /nfs/dbraw/zinc/35/90/08/599359008.db2.gz XWBUPVPWNPONPE-UHFFFAOYSA-N -1 3 339.243 3.640 20 0 EHADHM c1ccc(C2(CNc3cc(-c4nnn[n-]4)c4ccccc4n3)CC2)cc1 ZINC000738428244 599403054 /nfs/dbraw/zinc/40/30/54/599403054.db2.gz NBGWSTIYXHBYAQ-UHFFFAOYSA-N -1 3 342.406 3.559 20 0 EHADHM c1ccc(C2(CNc3cc(-c4nn[n-]n4)c4ccccc4n3)CC2)cc1 ZINC000738428244 599403055 /nfs/dbraw/zinc/40/30/55/599403055.db2.gz NBGWSTIYXHBYAQ-UHFFFAOYSA-N -1 3 342.406 3.559 20 0 EHADHM Clc1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)s1 ZINC000737570930 599404605 /nfs/dbraw/zinc/40/46/05/599404605.db2.gz LYZCIAPKBIXHBH-UHFFFAOYSA-N -1 3 326.212 3.847 20 0 EHADHM Clc1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)s1 ZINC000737570930 599404608 /nfs/dbraw/zinc/40/46/08/599404608.db2.gz LYZCIAPKBIXHBH-UHFFFAOYSA-N -1 3 326.212 3.847 20 0 EHADHM CCCCCC[C@H](C)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821049231 599404840 /nfs/dbraw/zinc/40/48/40/599404840.db2.gz JELVUVPPRKZEBL-KBPBESRZSA-N -1 3 344.463 3.586 20 0 EHADHM CCCCCC[C@H](C)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821049231 599404841 /nfs/dbraw/zinc/40/48/41/599404841.db2.gz JELVUVPPRKZEBL-KBPBESRZSA-N -1 3 344.463 3.586 20 0 EHADHM CC(C)Oc1cccc([C@@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000820178727 599477021 /nfs/dbraw/zinc/47/70/21/599477021.db2.gz ZFYUSXDZYQLWCY-GFCCVEGCSA-N -1 3 341.390 3.966 20 0 EHADHM CC(C)Oc1cccc([C@@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000820178727 599477023 /nfs/dbraw/zinc/47/70/23/599477023.db2.gz ZFYUSXDZYQLWCY-GFCCVEGCSA-N -1 3 341.390 3.966 20 0 EHADHM CC(C)Oc1ccccc1[C@H](C)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820177907 599478489 /nfs/dbraw/zinc/47/84/89/599478489.db2.gz DFHQFGVRJXRMSP-LBPRGKRZSA-N -1 3 341.390 3.966 20 0 EHADHM CC(C)Oc1ccccc1[C@H](C)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820177907 599478493 /nfs/dbraw/zinc/47/84/93/599478493.db2.gz DFHQFGVRJXRMSP-LBPRGKRZSA-N -1 3 341.390 3.966 20 0 EHADHM CCCCc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821077490 599500108 /nfs/dbraw/zinc/50/01/08/599500108.db2.gz HZRWLVIMILJWPS-AWEZNQCLSA-N -1 3 349.438 3.700 20 0 EHADHM CCCCc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821077490 599500111 /nfs/dbraw/zinc/50/01/11/599500111.db2.gz HZRWLVIMILJWPS-AWEZNQCLSA-N -1 3 349.438 3.700 20 0 EHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCc1ccsc1 ZINC000737628035 599521092 /nfs/dbraw/zinc/52/10/92/599521092.db2.gz UOIXDRGAYWDADD-UHFFFAOYSA-N -1 3 325.319 3.559 20 0 EHADHM CC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1F ZINC000736371848 599528275 /nfs/dbraw/zinc/52/82/75/599528275.db2.gz YGGZPXVFCWEWQR-CQSZACIVSA-N -1 3 333.317 3.847 20 0 EHADHM CCc1ccc([C@H](C)CC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000606347908 599538028 /nfs/dbraw/zinc/53/80/28/599538028.db2.gz VOBZRFJQOMULJF-CYBMUJFWSA-N -1 3 335.411 3.561 20 0 EHADHM CCc1ccc([C@H](C)CC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000606347908 599538033 /nfs/dbraw/zinc/53/80/33/599538033.db2.gz VOBZRFJQOMULJF-CYBMUJFWSA-N -1 3 335.411 3.561 20 0 EHADHM Fc1ccc(NCCCc2c[nH]c3ccccc23)c(-c2nnn[n-]2)c1 ZINC000822779608 599545572 /nfs/dbraw/zinc/54/55/72/599545572.db2.gz YLPBEQORZQQZTJ-UHFFFAOYSA-N -1 3 336.374 3.532 20 0 EHADHM Fc1ccc(NCCCc2c[nH]c3ccccc23)c(-c2nn[n-]n2)c1 ZINC000822779608 599545573 /nfs/dbraw/zinc/54/55/73/599545573.db2.gz YLPBEQORZQQZTJ-UHFFFAOYSA-N -1 3 336.374 3.532 20 0 EHADHM Cc1ccc([C@@H]2CCCCN2c2ncc(-c3nnn[n-]3)cc2Cl)o1 ZINC000822233708 599580024 /nfs/dbraw/zinc/58/00/24/599580024.db2.gz TWJMWMMOTKENCI-ZDUSSCGKSA-N -1 3 344.806 3.548 20 0 EHADHM Cc1ccc([C@@H]2CCCCN2c2ncc(-c3nn[n-]n3)cc2Cl)o1 ZINC000822233708 599580026 /nfs/dbraw/zinc/58/00/26/599580026.db2.gz TWJMWMMOTKENCI-ZDUSSCGKSA-N -1 3 344.806 3.548 20 0 EHADHM C[C@@H](OC(=O)CC/C=C/c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736148760 599617365 /nfs/dbraw/zinc/61/73/65/599617365.db2.gz HYUCWDYHRFOEOM-HYJLXUOHSA-N -1 3 348.406 3.965 20 0 EHADHM C[C@@H](OC(=O)CC/C=C/c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736148760 599617366 /nfs/dbraw/zinc/61/73/66/599617366.db2.gz HYUCWDYHRFOEOM-HYJLXUOHSA-N -1 3 348.406 3.965 20 0 EHADHM CSc1ccc(F)cc1CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000821983000 599686628 /nfs/dbraw/zinc/68/66/28/599686628.db2.gz CQHXFAGKOFFZHM-UHFFFAOYSA-N -1 3 349.822 3.993 20 0 EHADHM CSc1ccc(F)cc1CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821983000 599686629 /nfs/dbraw/zinc/68/66/29/599686629.db2.gz CQHXFAGKOFFZHM-UHFFFAOYSA-N -1 3 349.822 3.993 20 0 EHADHM O=C([O-])[C@H](NCc1ccc(F)c(F)c1)c1ccccc1C(F)(F)F ZINC000739498552 599792093 /nfs/dbraw/zinc/79/20/93/599792093.db2.gz AKAFBAPDXLIXNV-CQSZACIVSA-N -1 3 345.267 3.899 20 0 EHADHM Cc1oc(C(=O)[O-])cc1CN1CCC(c2ccc(F)c(F)c2)CC1 ZINC000738958703 599794309 /nfs/dbraw/zinc/79/43/09/599794309.db2.gz YYWZPFYBJCGECT-UHFFFAOYSA-N -1 3 335.350 3.944 20 0 EHADHM COc1ccc([C@@H](NCc2cccc(C(F)(F)F)c2)C(=O)[O-])cc1 ZINC000737971703 599860760 /nfs/dbraw/zinc/86/07/60/599860760.db2.gz TYVRSMOVVHSZNT-OAHLLOKOSA-N -1 3 339.313 3.630 20 0 EHADHM Cc1nc2ccccc2nc1CN(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000583505018 599887497 /nfs/dbraw/zinc/88/74/97/599887497.db2.gz ORQJURFHUTWRQE-OAHLLOKOSA-N -1 3 349.434 3.661 20 0 EHADHM COCCN(Cc1ccc(F)cc1C(=O)[O-])[C@H](C)c1ccccc1 ZINC000737800679 600090687 /nfs/dbraw/zinc/09/06/87/600090687.db2.gz ZWGGZYGJHWMLJQ-CQSZACIVSA-N -1 3 331.387 3.734 20 0 EHADHM Cc1ccc(OC2CCN(Cc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC000263573396 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C[C@H](OC(=O)c1cc(Cl)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508645 606354759 /nfs/dbraw/zinc/35/47/59/606354759.db2.gz UJOAMEHHTYGZPT-VIFPVBQESA-N -1 3 346.749 3.577 20 0 EHADHM C[C@H](OC(=O)c1cc(Cl)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508645 606354760 /nfs/dbraw/zinc/35/47/60/606354760.db2.gz UJOAMEHHTYGZPT-VIFPVBQESA-N -1 3 346.749 3.577 20 0 EHADHM C[C@@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(OC(F)F)cc1 ZINC000820455220 606447706 /nfs/dbraw/zinc/44/77/06/606447706.db2.gz FRNIRZJUGPHSSV-SECBINFHSA-N -1 3 349.316 3.780 20 0 EHADHM C[C@@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(OC(F)F)cc1 ZINC000820455220 606447708 /nfs/dbraw/zinc/44/77/08/606447708.db2.gz FRNIRZJUGPHSSV-SECBINFHSA-N -1 3 349.316 3.780 20 0 EHADHM CCc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821496187 606596710 /nfs/dbraw/zinc/59/67/10/606596710.db2.gz FECVEPIKNFHHHE-UHFFFAOYSA-N -1 3 345.353 3.643 20 0 EHADHM CCc1ccccc1NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821496187 606596711 /nfs/dbraw/zinc/59/67/11/606596711.db2.gz 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NUVWVVOSOAHBJA-ZDUSSCGKSA-N -1 3 347.850 3.814 20 0 EHADHM Clc1ccc(N[C@H]2CCOC3(CCCCC3)C2)c(-c2nn[n-]n2)c1 ZINC000822578681 607131418 /nfs/dbraw/zinc/13/14/18/607131418.db2.gz NUVWVVOSOAHBJA-ZDUSSCGKSA-N -1 3 347.850 3.814 20 0 EHADHM C[C@@H](NC(=O)c1ccc2sccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820397766 607152095 /nfs/dbraw/zinc/15/20/95/607152095.db2.gz SQRZHBBAXCJNTE-LLVKDONJSA-N -1 3 349.419 3.572 20 0 EHADHM C[C@@H](NC(=O)c1ccc2sccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820397766 607152097 /nfs/dbraw/zinc/15/20/97/607152097.db2.gz SQRZHBBAXCJNTE-LLVKDONJSA-N -1 3 349.419 3.572 20 0 EHADHM COc1cccc(CNc2cc(-c3nnn[n-]3)ccc2C(F)(F)F)c1 ZINC000821869007 607226469 /nfs/dbraw/zinc/22/64/69/607226469.db2.gz YARCJEJYYZHKKS-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM COc1cccc(CNc2cc(-c3nn[n-]n3)ccc2C(F)(F)F)c1 ZINC000821869007 607226470 /nfs/dbraw/zinc/22/64/70/607226470.db2.gz YARCJEJYYZHKKS-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C2CCC(C)(C)CC2)s1 ZINC000821465481 607237425 /nfs/dbraw/zinc/23/74/25/607237425.db2.gz IXSDFJDGBIFMRJ-UHFFFAOYSA-N -1 3 333.461 3.646 20 0 EHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C2CCC(C)(C)CC2)s1 ZINC000821465481 607237426 /nfs/dbraw/zinc/23/74/26/607237426.db2.gz IXSDFJDGBIFMRJ-UHFFFAOYSA-N -1 3 333.461 3.646 20 0 EHADHM CC1(C)C[C@H]1C(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000824795782 607785261 /nfs/dbraw/zinc/78/52/61/607785261.db2.gz DNGNZNMJXPQMFL-LBPRGKRZSA-N -1 3 339.424 3.580 20 0 EHADHM CC1(C)C[C@H]1C(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000824795782 607785262 /nfs/dbraw/zinc/78/52/62/607785262.db2.gz DNGNZNMJXPQMFL-LBPRGKRZSA-N -1 3 339.424 3.580 20 0 EHADHM CCN(C(=O)CC1(C)CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367984 607798920 /nfs/dbraw/zinc/79/89/20/607798920.db2.gz YXVDMWNMJWGIBK-UHFFFAOYSA-N -1 3 327.432 3.580 20 0 EHADHM CCN(C(=O)CC1(C)CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367984 607798921 /nfs/dbraw/zinc/79/89/21/607798921.db2.gz YXVDMWNMJWGIBK-UHFFFAOYSA-N -1 3 327.432 3.580 20 0 EHADHM Fc1ccc2c(c1)[C@H](Sc1ccc(-c3nnn[n-]3)cn1)CCC2 ZINC000826375791 607809006 /nfs/dbraw/zinc/80/90/06/607809006.db2.gz BSPBKAGCHNWNOA-CQSZACIVSA-N -1 3 327.388 3.571 20 0 EHADHM Fc1ccc2c(c1)[C@H](Sc1ccc(-c3nn[n-]n3)cn1)CCC2 ZINC000826375791 607809007 /nfs/dbraw/zinc/80/90/07/607809007.db2.gz BSPBKAGCHNWNOA-CQSZACIVSA-N -1 3 327.388 3.571 20 0 EHADHM c1ccc(C(CNc2cnccc2-c2nnn[n-]2)c2ccccc2)cc1 ZINC000826520647 607840862 /nfs/dbraw/zinc/84/08/62/607840862.db2.gz OVDNEFMORYQWCZ-UHFFFAOYSA-N -1 3 342.406 3.506 20 0 EHADHM c1ccc(C(CNc2cnccc2-c2nn[n-]n2)c2ccccc2)cc1 ZINC000826520647 607840863 /nfs/dbraw/zinc/84/08/63/607840863.db2.gz OVDNEFMORYQWCZ-UHFFFAOYSA-N -1 3 342.406 3.506 20 0 EHADHM CC(C)c1ccc([C@H]2CCCN2c2ncccc2-c2nnn[n-]2)cc1 ZINC000824348037 607968463 /nfs/dbraw/zinc/96/84/63/607968463.db2.gz XJTLOLSSWBMFGS-QGZVFWFLSA-N -1 3 334.427 3.727 20 0 EHADHM CC(C)c1ccc([C@H]2CCCN2c2ncccc2-c2nn[n-]n2)cc1 ZINC000824348037 607968464 /nfs/dbraw/zinc/96/84/64/607968464.db2.gz XJTLOLSSWBMFGS-QGZVFWFLSA-N -1 3 334.427 3.727 20 0 EHADHM Cc1c(Cl)cc(F)c(NCc2cccc(-c3nnn[n-]3)c2)c1F ZINC000826236246 608048965 /nfs/dbraw/zinc/04/89/65/608048965.db2.gz DWTWMIKQVJPUCQ-UHFFFAOYSA-N -1 3 335.745 3.719 20 0 EHADHM Cc1c(Cl)cc(F)c(NCc2cccc(-c3nn[n-]n3)c2)c1F ZINC000826236246 608048966 /nfs/dbraw/zinc/04/89/66/608048966.db2.gz DWTWMIKQVJPUCQ-UHFFFAOYSA-N -1 3 335.745 3.719 20 0 EHADHM Cc1ccccc1C1(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826306629 608186224 /nfs/dbraw/zinc/18/62/24/608186224.db2.gz GKEZLLIVAKOKCA-CQSZACIVSA-N -1 3 348.406 3.511 20 0 EHADHM Cc1ccccc1C1(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826306629 608186226 /nfs/dbraw/zinc/18/62/26/608186226.db2.gz GKEZLLIVAKOKCA-CQSZACIVSA-N -1 3 348.406 3.511 20 0 EHADHM C[C@H]1C[C@H]1c1ccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)o1 ZINC000824898065 608223098 /nfs/dbraw/zinc/22/30/98/608223098.db2.gz CRWSWZZXPDWBGL-XHDPSFHLSA-N -1 3 346.394 3.743 20 0 EHADHM C[C@H]1C[C@H]1c1ccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)o1 ZINC000824898065 608223099 /nfs/dbraw/zinc/22/30/99/608223099.db2.gz CRWSWZZXPDWBGL-XHDPSFHLSA-N -1 3 346.394 3.743 20 0 EHADHM C[C@@H]1C[C@H]1c1ccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)o1 ZINC000824898063 608223289 /nfs/dbraw/zinc/22/32/89/608223289.db2.gz CRWSWZZXPDWBGL-IAQYHMDHSA-N -1 3 346.394 3.743 20 0 EHADHM C[C@@H]1C[C@H]1c1ccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)o1 ZINC000824898063 608223290 /nfs/dbraw/zinc/22/32/90/608223290.db2.gz CRWSWZZXPDWBGL-IAQYHMDHSA-N -1 3 346.394 3.743 20 0 EHADHM c1ccc(C2CC(Nc3ccc4cc(-c5nnn[n-]5)ccc4n3)C2)cc1 ZINC000826520807 608227837 /nfs/dbraw/zinc/22/78/37/608227837.db2.gz RQZLZHLSCVTAJU-UHFFFAOYSA-N -1 3 342.406 3.773 20 0 EHADHM c1ccc(C2CC(Nc3ccc4cc(-c5nn[n-]n5)ccc4n3)C2)cc1 ZINC000826520807 608227839 /nfs/dbraw/zinc/22/78/39/608227839.db2.gz RQZLZHLSCVTAJU-UHFFFAOYSA-N -1 3 342.406 3.773 20 0 EHADHM Nc1ccc(SCc2cc(F)ccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826396208 608402250 /nfs/dbraw/zinc/40/22/50/608402250.db2.gz MSALMSQSBIBDHS-UHFFFAOYSA-N -1 3 335.795 3.534 20 0 EHADHM Nc1ccc(SCc2cc(F)ccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826396208 608402251 /nfs/dbraw/zinc/40/22/51/608402251.db2.gz MSALMSQSBIBDHS-UHFFFAOYSA-N -1 3 335.795 3.534 20 0 EHADHM c1cc(-c2nnn[n-]2)oc1CN1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000826522637 608685109 /nfs/dbraw/zinc/68/51/09/608685109.db2.gz IPDLFQYICZAJKC-QGZVFWFLSA-N -1 3 348.410 3.668 20 0 EHADHM c1cncc(-c2cccc(CNc3cccc(-c4nnn[n-]4)c3)c2)c1 ZINC000826525528 608872867 /nfs/dbraw/zinc/87/28/67/608872867.db2.gz OOCBSEGCJJGGNB-UHFFFAOYSA-N -1 3 328.379 3.541 20 0 EHADHM c1cncc(-c2cccc(CNc3cccc(-c4nn[n-]n4)c3)c2)c1 ZINC000826525528 608872869 /nfs/dbraw/zinc/87/28/69/608872869.db2.gz OOCBSEGCJJGGNB-UHFFFAOYSA-N -1 3 328.379 3.541 20 0 EHADHM C[C@@H](N[C@@H]1CSc2ccccc21)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824553463 609144148 /nfs/dbraw/zinc/14/41/48/609144148.db2.gz BQWSVDFGBVHXPB-MEBBXXQBSA-N -1 3 341.415 3.503 20 0 EHADHM COc1cc(F)ccc1N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826180825 609158758 /nfs/dbraw/zinc/15/87/58/609158758.db2.gz YJTABEDCCYWTPF-OAHLLOKOSA-N -1 3 339.374 3.504 20 0 EHADHM COc1cc(F)ccc1N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826180825 609158759 /nfs/dbraw/zinc/15/87/59/609158759.db2.gz YJTABEDCCYWTPF-OAHLLOKOSA-N -1 3 339.374 3.504 20 0 EHADHM Cc1nc2ccc(N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)cc2s1 ZINC000826329030 609163422 /nfs/dbraw/zinc/16/34/22/609163422.db2.gz NRAMKGNWTQEDMW-JTQLQIEISA-N -1 3 336.424 3.958 20 0 EHADHM Cc1nc2ccc(N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)cc2s1 ZINC000826329030 609163423 /nfs/dbraw/zinc/16/34/23/609163423.db2.gz NRAMKGNWTQEDMW-JTQLQIEISA-N -1 3 336.424 3.958 20 0 EHADHM Cc1nc2cc(N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)ccc2s1 ZINC000826329269 609269234 /nfs/dbraw/zinc/26/92/34/609269234.db2.gz WPUHVECBOVLETD-JTQLQIEISA-N -1 3 336.424 3.958 20 0 EHADHM Cc1nc2cc(N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)ccc2s1 ZINC000826329269 609269235 /nfs/dbraw/zinc/26/92/35/609269235.db2.gz WPUHVECBOVLETD-JTQLQIEISA-N -1 3 336.424 3.958 20 0 EHADHM Cc1nn(-c2ccccc2)cc1N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826333021 609351569 /nfs/dbraw/zinc/35/15/69/609351569.db2.gz QNUQKYRIFBVBAU-ZDUSSCGKSA-N -1 3 345.410 3.534 20 0 EHADHM Cc1nn(-c2ccccc2)cc1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826333021 609351571 /nfs/dbraw/zinc/35/15/71/609351571.db2.gz QNUQKYRIFBVBAU-ZDUSSCGKSA-N -1 3 345.410 3.534 20 0 EHADHM Fc1ccc(OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)cn1 ZINC000826376267 609435975 /nfs/dbraw/zinc/43/59/75/609435975.db2.gz VTBIADSXLVLRLW-UHFFFAOYSA-N -1 3 347.353 3.647 20 0 EHADHM Fc1ccc(OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cn1 ZINC000826376267 609435976 /nfs/dbraw/zinc/43/59/76/609435976.db2.gz VTBIADSXLVLRLW-UHFFFAOYSA-N -1 3 347.353 3.647 20 0 EHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1csc2ccccc12 ZINC000826401755 609457650 /nfs/dbraw/zinc/45/76/50/609457650.db2.gz GBMPJDMLLBKLAH-MDZDMXLPSA-N -1 3 347.403 3.733 20 0 EHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1csc2ccccc12 ZINC000826401755 609457652 /nfs/dbraw/zinc/45/76/52/609457652.db2.gz GBMPJDMLLBKLAH-MDZDMXLPSA-N -1 3 347.403 3.733 20 0 EHADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cc(C)sc1C ZINC000825631631 609476801 /nfs/dbraw/zinc/47/68/01/609476801.db2.gz FCBKKFNGXNMYGP-UHFFFAOYSA-N -1 3 329.429 3.556 20 0 EHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cc(C)sc1C ZINC000825631631 609476802 /nfs/dbraw/zinc/47/68/02/609476802.db2.gz FCBKKFNGXNMYGP-UHFFFAOYSA-N -1 3 329.429 3.556 20 0 EHADHM COc1ccc(-c2nnn[n-]2)cc1NCc1csc2ccccc12 ZINC000826186909 609482204 /nfs/dbraw/zinc/48/22/04/609482204.db2.gz PLUBBKBSPNKBIH-UHFFFAOYSA-N -1 3 337.408 3.702 20 0 EHADHM COc1ccc(-c2nn[n-]n2)cc1NCc1csc2ccccc12 ZINC000826186909 609482207 /nfs/dbraw/zinc/48/22/07/609482207.db2.gz PLUBBKBSPNKBIH-UHFFFAOYSA-N -1 3 337.408 3.702 20 0 EHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1ccc(F)cc1C ZINC000826167762 609502382 /nfs/dbraw/zinc/50/23/82/609502382.db2.gz QCQAZBLLJYBQST-UHFFFAOYSA-N -1 3 348.765 3.555 20 0 EHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCc1ccc(F)cc1C ZINC000826167762 609502384 /nfs/dbraw/zinc/50/23/84/609502384.db2.gz QCQAZBLLJYBQST-UHFFFAOYSA-N -1 3 348.765 3.555 20 0 EHADHM CC[C@H](C)CCCCC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825060413 609509620 /nfs/dbraw/zinc/50/96/20/609509620.db2.gz QESZQDAVXLWYLL-AWEZNQCLSA-N -1 3 341.459 3.579 20 0 EHADHM CC[C@H](C)CCCCC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825060413 609509621 /nfs/dbraw/zinc/50/96/21/609509621.db2.gz QESZQDAVXLWYLL-AWEZNQCLSA-N -1 3 341.459 3.579 20 0 EHADHM Cc1ccnc(N(C)[C@H](C)c2cc3ccccc3o2)c1-c1nnn[n-]1 ZINC000826309111 609529404 /nfs/dbraw/zinc/52/94/04/609529404.db2.gz DPTDVJZXXYLAKZ-GFCCVEGCSA-N -1 3 334.383 3.514 20 0 EHADHM Cc1ccnc(N(C)[C@H](C)c2cc3ccccc3o2)c1-c1nn[n-]n1 ZINC000826309111 609529405 /nfs/dbraw/zinc/52/94/05/609529405.db2.gz DPTDVJZXXYLAKZ-GFCCVEGCSA-N -1 3 334.383 3.514 20 0 EHADHM Cc1c(Cl)cnc(NCc2ccc(Cl)s2)c1-c1nnn[n-]1 ZINC000826240280 609530816 /nfs/dbraw/zinc/53/08/16/609530816.db2.gz LGWBRTYFBZRIPK-UHFFFAOYSA-N -1 3 341.227 3.551 20 0 EHADHM Cc1c(Cl)cnc(NCc2ccc(Cl)s2)c1-c1nn[n-]n1 ZINC000826240280 609530817 /nfs/dbraw/zinc/53/08/17/609530817.db2.gz LGWBRTYFBZRIPK-UHFFFAOYSA-N -1 3 341.227 3.551 20 0 EHADHM Cc1ccnc(Nc2cccc(Oc3ccncc3)c2)c1-c1nnn[n-]1 ZINC000826315110 609552200 /nfs/dbraw/zinc/55/22/00/609552200.db2.gz YMUWISZNENFKAW-UHFFFAOYSA-N -1 3 345.366 3.501 20 0 EHADHM Cc1ccnc(Nc2cccc(Oc3ccncc3)c2)c1-c1nn[n-]n1 ZINC000826315110 609552202 /nfs/dbraw/zinc/55/22/02/609552202.db2.gz YMUWISZNENFKAW-UHFFFAOYSA-N -1 3 345.366 3.501 20 0 EHADHM Cc1nc2c(s1)[C@@H](Nc1c(Cl)cccc1-c1nnn[n-]1)CCC2 ZINC000826328177 609564969 /nfs/dbraw/zinc/56/49/69/609564969.db2.gz IADZZHWREQWICR-LBPRGKRZSA-N -1 3 346.847 3.775 20 0 EHADHM Cc1nc2c(s1)[C@@H](Nc1c(Cl)cccc1-c1nn[n-]n1)CCC2 ZINC000826328177 609564972 /nfs/dbraw/zinc/56/49/72/609564972.db2.gz IADZZHWREQWICR-LBPRGKRZSA-N -1 3 346.847 3.775 20 0 EHADHM CC[C@H](C)[C@H](C)C(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825050968 609599626 /nfs/dbraw/zinc/59/96/26/609599626.db2.gz MITFHVWIOHKBSA-QWRGUYRKSA-N -1 3 335.839 3.555 20 0 EHADHM CC[C@H](C)[C@H](C)C(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825050968 609599628 /nfs/dbraw/zinc/59/96/28/609599628.db2.gz MITFHVWIOHKBSA-QWRGUYRKSA-N -1 3 335.839 3.555 20 0 EHADHM Cc1sc(NC(=O)C2CCCCCCC2)c(-c2nnn[n-]2)c1C ZINC000737560830 945096824 /nfs/dbraw/zinc/09/68/24/945096824.db2.gz HSEGFBWNZTWIKK-UHFFFAOYSA-N -1 3 333.461 3.844 20 0 EHADHM Cc1sc(NC(=O)C2CCCCCCC2)c(-c2nn[n-]n2)c1C ZINC000737560830 945096831 /nfs/dbraw/zinc/09/68/31/945096831.db2.gz HSEGFBWNZTWIKK-UHFFFAOYSA-N -1 3 333.461 3.844 20 0 EHADHM CC(C)(C)Oc1ccccc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000819950276 945318840 /nfs/dbraw/zinc/31/88/40/945318840.db2.gz HKZLULVEKTXTSX-UHFFFAOYSA-N -1 3 329.429 3.718 20 0 EHADHM C[C@H](CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F)C1CCCCC1 ZINC000735974149 944728664 /nfs/dbraw/zinc/72/86/64/944728664.db2.gz JOQDVBCZSPSKQH-GFCCVEGCSA-N -1 3 345.422 3.575 20 0 EHADHM C[C@H](CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F)C1CCCCC1 ZINC000735974149 944728670 /nfs/dbraw/zinc/72/86/70/944728670.db2.gz JOQDVBCZSPSKQH-GFCCVEGCSA-N -1 3 345.422 3.575 20 0 EHADHM FC(F)(F)CCc1ccccc1NCc1ccccc1-c1nnn[n-]1 ZINC000822718921 946165642 /nfs/dbraw/zinc/16/56/42/946165642.db2.gz VFJIDQGVEQEVBZ-UHFFFAOYSA-N -1 3 347.344 3.974 20 0 EHADHM FC(F)(F)CCc1ccccc1NCc1ccccc1-c1nn[n-]n1 ZINC000822718921 946165648 /nfs/dbraw/zinc/16/56/48/946165648.db2.gz VFJIDQGVEQEVBZ-UHFFFAOYSA-N -1 3 347.344 3.974 20 0 EHADHM Brc1cccc(-c2nnn[n-]2)c1N[C@@H](C1CC1)C1CCC1 ZINC001573279288 946637869 /nfs/dbraw/zinc/63/78/69/946637869.db2.gz GYVLXETZFWZIOP-CYBMUJFWSA-N -1 3 348.248 3.620 20 0 EHADHM Brc1cccc(-c2nn[n-]n2)c1N[C@@H](C1CC1)C1CCC1 ZINC001573279288 946637871 /nfs/dbraw/zinc/63/78/71/946637871.db2.gz GYVLXETZFWZIOP-CYBMUJFWSA-N -1 3 348.248 3.620 20 0 EHADHM CCCCC[C@H](CC)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825268584 947139097 /nfs/dbraw/zinc/13/90/97/947139097.db2.gz VMQXIIPAKHDYQY-KGLIPLIRSA-N -1 3 329.448 3.650 20 0 EHADHM CCCCC[C@H](CC)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825268584 947139106 /nfs/dbraw/zinc/13/91/06/947139106.db2.gz VMQXIIPAKHDYQY-KGLIPLIRSA-N -1 3 329.448 3.650 20 0 EHADHM CSc1ccc(C)c(NCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000826230216 947674376 /nfs/dbraw/zinc/67/43/76/947674376.db2.gz JVUVDLYYQBHBPB-UHFFFAOYSA-N -1 3 329.404 3.648 20 0 EHADHM CSc1ccc(C)c(NCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000826230216 947674380 /nfs/dbraw/zinc/67/43/80/947674380.db2.gz JVUVDLYYQBHBPB-UHFFFAOYSA-N -1 3 329.404 3.648 20 0 EHADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N1CC2(CCC2)c2ccccc21 ZINC001575513887 949156224 /nfs/dbraw/zinc/15/62/24/949156224.db2.gz UGVQCSBSPCOOGB-AWEZNQCLSA-N -1 3 331.423 3.870 20 0 EHADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CC2(CCC2)c2ccccc21 ZINC001575513887 949156242 /nfs/dbraw/zinc/15/62/42/949156242.db2.gz UGVQCSBSPCOOGB-AWEZNQCLSA-N -1 3 331.423 3.870 20 0 EHADHM O=C([O-])c1cccc(CN2CC=C(c3ccc(Cl)nc3)CC2)c1 ZINC001595242300 949483675 /nfs/dbraw/zinc/48/36/75/949483675.db2.gz YUVMOSWECRNJMH-UHFFFAOYSA-N -1 3 328.799 3.723 20 0 EHADHM C[C@@H]1CCCC[C@@H]1Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001576164580 949558820 /nfs/dbraw/zinc/55/88/20/949558820.db2.gz HNNIFIRGTLYNOF-SKDRFNHKSA-N -1 3 341.337 3.756 20 0 EHADHM C[C@@H]1CCCC[C@@H]1Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001576164580 949558833 /nfs/dbraw/zinc/55/88/33/949558833.db2.gz HNNIFIRGTLYNOF-SKDRFNHKSA-N -1 3 341.337 3.756 20 0 EHADHM C[C@H](c1cccc(Br)c1)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263332550 950377739 /nfs/dbraw/zinc/37/77/39/950377739.db2.gz LVRLMCZNRWHWEN-NQBHXWOUSA-N -1 3 326.234 3.553 20 0 EHADHM O=C([O-])CCC1CCN(C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC001595023430 951325794 /nfs/dbraw/zinc/32/57/94/951325794.db2.gz OIJSBQCSNNYCGF-OAHLLOKOSA-N -1 3 346.254 3.604 20 0 EHADHM C[C@H](c1ccccc1Br)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000564968556 953608171 /nfs/dbraw/zinc/60/81/71/953608171.db2.gz XWSSMWYHMJQXJM-WZRBSPASSA-N -1 3 326.234 3.553 20 0 EHADHM C[C@@H](c1cccc(Br)c1)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000577750681 953696182 /nfs/dbraw/zinc/69/61/82/953696182.db2.gz RFZIIONLYHASCN-UHIISALHSA-N -1 3 326.234 3.553 20 0 EHADHM O=C([O-])[C@@H]1CN(CCSCc2ccccc2)Cc2ccccc21 ZINC000593743631 953755309 /nfs/dbraw/zinc/75/53/09/953755309.db2.gz GKMLRUKZVVJPHX-GOSISDBHSA-N -1 3 327.449 3.604 20 0 EHADHM O=C([O-])[C@@H]1c2ccccc2CCN1CCc1c(F)cccc1Cl ZINC000662233207 954398863 /nfs/dbraw/zinc/39/88/63/954398863.db2.gz KUDXDPHJIMQFOE-KRWDZBQOSA-N -1 3 333.790 3.706 20 0 EHADHM CCCOc1ccc(CNCc2ccc(C(=O)[O-])s2)cc1OC ZINC000903677764 956857422 /nfs/dbraw/zinc/85/74/22/956857422.db2.gz WGGIUZLJEQRJGX-UHFFFAOYSA-N -1 3 335.425 3.534 20 0 EHADHM CN(CCOc1ccccc1C(=O)[O-])Cc1cc2ccccc2o1 ZINC000183927447 959457899 /nfs/dbraw/zinc/45/78/99/959457899.db2.gz FNHIVEACVBENJC-UHFFFAOYSA-N -1 3 325.364 3.642 20 0 EHADHM COc1ccc(C)cc1-c1csc([N-]c2ncnc3n[nH]cc32)n1 ZINC000163149312 1125474294 /nfs/dbraw/zinc/47/42/94/1125474294.db2.gz OJWLRCYMMHVIOO-UHFFFAOYSA-N -1 3 338.396 3.537 20 0 EHADHM Cc1ccc(-c2csc(CN3C[C@H](C(=O)[O-])C[C@H](C)C3)n2)cc1 ZINC001605232240 972984748 /nfs/dbraw/zinc/98/47/48/972984748.db2.gz 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ZINC000569251749 974688070 /nfs/dbraw/zinc/68/80/70/974688070.db2.gz ZODIANXMLUCJFP-ZIAGYGMSSA-N -1 3 343.398 3.911 20 0 EHADHM CCOC[C@@H]1CCCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000572728277 974752568 /nfs/dbraw/zinc/75/25/68/974752568.db2.gz IBTYHEFNYDSPLL-ABAIWWIYSA-N -1 3 346.254 3.868 20 0 EHADHM CC(=O)N1CC[C@@H](NCc2cccc([O-])c2Cl)c2ccccc21 ZINC000339325325 1014216546 /nfs/dbraw/zinc/21/65/46/1014216546.db2.gz JBVCWCJXPCBCEE-OAHLLOKOSA-N -1 3 330.815 3.633 20 0 EHADHM O=C([O-])c1cnc(C2CCN(Cc3cc4ccccc4o3)CC2)s1 ZINC000629369126 975086577 /nfs/dbraw/zinc/08/65/77/975086577.db2.gz NJXGEHJSHNVTGW-UHFFFAOYSA-N -1 3 342.420 3.967 20 0 EHADHM COc1cccc(CC2CCN(Cc3csc(C(=O)[O-])c3)CC2)c1 ZINC000652412179 975526409 /nfs/dbraw/zinc/52/64/09/975526409.db2.gz PSODQPRWYWMVQT-UHFFFAOYSA-N -1 3 345.464 3.910 20 0 EHADHM O=C([O-])C[C@H]1CCCCN1Cc1cc(Cl)ccc1OCC1CC1 ZINC000652463802 975541652 /nfs/dbraw/zinc/54/16/52/975541652.db2.gz WFICPTSGSCCECX-MRXNPFEDSA-N -1 3 337.847 3.958 20 0 EHADHM CC(C)Oc1cccc(CN[C@@](C)(C(=O)[O-])c2ccc(F)cc2)c1 ZINC001591796733 976010273 /nfs/dbraw/zinc/01/02/73/976010273.db2.gz QWCPAOHKCOJHSE-LJQANCHMSA-N -1 3 331.387 3.703 20 0 EHADHM O=C([O-])c1cccc(CNCc2ccc(F)c(Br)c2)c1 ZINC000683176776 976081057 /nfs/dbraw/zinc/08/10/57/976081057.db2.gz RMELWEFRBMDPHA-UHFFFAOYSA-N -1 3 338.176 3.576 20 0 EHADHM CC(C)n1ncc2c1[C@H](NCc1[nH]cc(C(=O)[O-])c1C1CC1)CCC2 ZINC001592158497 977037957 /nfs/dbraw/zinc/03/79/57/977037957.db2.gz QDJWDLMCPWPVDH-OAHLLOKOSA-N -1 3 342.443 3.535 20 0 EHADHM C[C@H](CN[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccc(F)cc1F ZINC001592705385 979168771 /nfs/dbraw/zinc/16/87/71/979168771.db2.gz DQCDFWZDPSMDPY-BDAKNGLRSA-N -1 3 326.368 3.574 20 0 EHADHM CCC(CC)(CNCc1cc(C)c(C(=O)[O-])o1)C(=O)OC(C)(C)C ZINC001595079742 979364867 /nfs/dbraw/zinc/36/48/67/979364867.db2.gz XYKAAFQTBROUQX-UHFFFAOYSA-N -1 3 339.432 3.524 20 0 EHADHM CCc1nc2c(s1)[C@@H](N(C)Cc1ccccc1CC(=O)[O-])CCC2 ZINC000846254252 979427275 /nfs/dbraw/zinc/42/72/75/979427275.db2.gz OSUNOXYLPRLRPU-INIZCTEOSA-N -1 3 344.480 3.842 20 0 EHADHM O=C([O-])[C@@H]1CN(Cc2cc(C(F)(F)F)co2)C[C@@H]1c1ccccc1 ZINC000872160120 980044925 /nfs/dbraw/zinc/04/49/25/980044925.db2.gz ASLZPTXFUQIMDJ-HUUCEWRRSA-N -1 3 339.313 3.599 20 0 EHADHM Cc1ccc(C[C@]2(C)CCCN2Cc2nc(C(=O)[O-])cs2)cc1 ZINC000872162910 980053594 /nfs/dbraw/zinc/05/35/94/980053594.db2.gz PANYAWDARKGBID-SFHVURJKSA-N -1 3 330.453 3.747 20 0 EHADHM Cc1cc(CNCc2ccccc2N2CCCCC2)ccc1C(=O)[O-] ZINC000900042001 980240043 /nfs/dbraw/zinc/24/00/43/980240043.db2.gz XRCORSGIXWSWOK-UHFFFAOYSA-N -1 3 338.451 3.973 20 0 EHADHM CCc1oc(CN2CC[C@H](COCc3ccccc3)C2)cc1C(=O)[O-] ZINC000901435484 980282223 /nfs/dbraw/zinc/28/22/23/980282223.db2.gz AVDKLUQRCGUUOL-INIZCTEOSA-N -1 3 343.423 3.579 20 0 EHADHM COc1cc2ccccc2cc1CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000901499129 980317258 /nfs/dbraw/zinc/31/72/58/980317258.db2.gz KUJFKSPKTZXUBP-KRWDZBQOSA-N -1 3 325.408 3.535 20 0 EHADHM CC[C@H](N[C@H](C)c1cncc(C(=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC001595280936 980328239 /nfs/dbraw/zinc/32/82/39/980328239.db2.gz FITNDDPHDQEIMA-WBMJQRKESA-N -1 3 344.411 3.599 20 0 EHADHM COCCN(CCC(=O)[O-])Cc1ccc(-c2ccccc2Cl)o1 ZINC000901663591 980432971 /nfs/dbraw/zinc/43/29/71/980432971.db2.gz LQKOENZNOHWUMV-UHFFFAOYSA-N -1 3 337.803 3.523 20 0 EHADHM CC[C@H](C)C[C@H](NCc1csc(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000901682182 980447271 /nfs/dbraw/zinc/44/72/71/980447271.db2.gz OBJSAEZNOVTNPX-NHYWBVRUSA-N -1 3 336.432 3.928 20 0 EHADHM CC(C)(C)Oc1cccc(CN2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c1 ZINC000901788951 980520125 /nfs/dbraw/zinc/52/01/25/980520125.db2.gz JQGQDASOXAWHGW-INIZCTEOSA-N -1 3 345.361 3.703 20 0 EHADHM CC[C@H]1CCCN(Cc2ccc(C(=O)[O-])c(Br)c2)C1 ZINC000902136119 980752270 /nfs/dbraw/zinc/75/22/70/980752270.db2.gz LIJOLXOKISCZBZ-NSHDSACASA-N -1 3 326.234 3.769 20 0 EHADHM O=C([O-])c1occc1CN1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000902365432 980855079 /nfs/dbraw/zinc/85/50/79/980855079.db2.gz BRGPMUQLTFPIPR-CYBMUJFWSA-N -1 3 349.814 3.922 20 0 EHADHM CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1cc(C(=O)[O-])c(C(C)C)[nH]1 ZINC001595373541 980873606 /nfs/dbraw/zinc/87/36/06/980873606.db2.gz LEPPKHNNLHMLOO-HZPDHXFCSA-N -1 3 336.476 3.862 20 0 EHADHM C[C@@H]1CC[C@H](C)CN1Cc1ccc(C(=O)[O-])c(Br)c1 ZINC000902525413 980921865 /nfs/dbraw/zinc/92/18/65/980921865.db2.gz UCMUYRURRDIWMV-WDEREUQCSA-N -1 3 326.234 3.768 20 0 EHADHM C[C@@H]1CCCCCN1Cc1ccc(C(=O)[O-])c(Br)c1 ZINC000902531853 980924629 /nfs/dbraw/zinc/92/46/29/980924629.db2.gz IKRMNSGYPNUJRD-LLVKDONJSA-N -1 3 326.234 3.912 20 0 EHADHM CC(C)(C)n1cc(CN[C@@H](C(=O)[O-])c2cccc3ccccc32)cn1 ZINC000902565776 980935782 /nfs/dbraw/zinc/93/57/82/980935782.db2.gz PQAYZURTGZDDHJ-GOSISDBHSA-N -1 3 337.423 3.707 20 0 EHADHM CC[C@H](C)c1nc(C)c(CC(=O)Nc2cccc([O-])c2F)c(C)n1 ZINC000654970001 1014696841 /nfs/dbraw/zinc/69/68/41/1014696841.db2.gz SIRNTPLYKJVINS-JTQLQIEISA-N -1 3 331.391 3.633 20 0 EHADHM COc1ccc(C(=O)[O-])cc1CN1CCC(c2ccc(F)cc2)CC1 ZINC000903607523 980988623 /nfs/dbraw/zinc/98/86/23/980988623.db2.gz 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C[C@@H](CC(C)(C)c1ccccc1)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448805076 1029077544 /nfs/dbraw/zinc/07/75/44/1029077544.db2.gz MDCJDFCUYOIGFU-AWEZNQCLSA-N -1 3 329.415 3.946 20 0 EHADHM CC1(C)CCCC[C@H]1CC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000154994973 1029377442 /nfs/dbraw/zinc/37/74/42/1029377442.db2.gz MVDCDICOGRBPGZ-ZDUSSCGKSA-N -1 3 338.473 3.603 20 0 EHADHM Cc1nc(-c2ccc(NC(=O)N(C(C)C)C3CC3)cc2)cc(=O)[n-]1 ZINC000487519213 1029482888 /nfs/dbraw/zinc/48/28/88/1029482888.db2.gz WLMUSKSGYNXFIZ-UHFFFAOYSA-N -1 3 326.400 3.562 20 0 EHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000434289386 1029559966 /nfs/dbraw/zinc/55/99/66/1029559966.db2.gz SAVSVPLIPKKJIM-LBPRGKRZSA-N -1 3 333.325 3.655 20 0 EHADHM Cc1nc(Cl)cc(NCc2ccc([O-])c(Br)c2)n1 ZINC000155627571 1029593635 /nfs/dbraw/zinc/59/36/35/1029593635.db2.gz YDOWVLHMLKJJOX-UHFFFAOYSA-N -1 3 328.597 3.519 20 0 EHADHM COc1ccc(C(=O)N2CCC(Cc3cccc(F)c3)CC2)c([O-])c1 ZINC000080141426 1029663301 /nfs/dbraw/zinc/66/33/01/1029663301.db2.gz 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1030581435 /nfs/dbraw/zinc/58/14/35/1030581435.db2.gz OFQPGRIZZPWSSZ-UHFFFAOYSA-N -1 3 337.451 3.674 20 0 EHADHM O=C(Cc1cccc(Cl)c1Cl)Nc1n[n-]c(-c2ccco2)n1 ZINC000194017612 1030638104 /nfs/dbraw/zinc/63/81/04/1030638104.db2.gz ITONYZREBYAYHG-UHFFFAOYSA-N -1 3 337.166 3.553 20 0 EHADHM CC[C@@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1cc(F)ccc1F ZINC000122729037 1030723540 /nfs/dbraw/zinc/72/35/40/1030723540.db2.gz XTUVRRKNDOKALP-MRXNPFEDSA-N -1 3 348.349 3.510 20 0 EHADHM CCOc1cc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)ccc1C ZINC000550872797 1030744562 /nfs/dbraw/zinc/74/45/62/1030744562.db2.gz GDCXFJLNKRKQJU-UHFFFAOYSA-N -1 3 335.425 3.512 20 0 EHADHM CCSCc1ccccc1C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000448251386 1030870089 /nfs/dbraw/zinc/87/00/89/1030870089.db2.gz FBCWRLBCXUBUNB-UHFFFAOYSA-N -1 3 342.424 3.879 20 0 EHADHM C[C@@H]1CC[C@@H](C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C[C@@H]1C ZINC000648431469 1030887732 /nfs/dbraw/zinc/88/77/32/1030887732.db2.gz XPGBYSOJXDARRT-KXUCPTDWSA-N -1 3 337.773 3.532 20 0 EHADHM O=C(NCc1cc(=O)[nH]c2ccccc12)c1cc([O-])c2ccccc2c1 ZINC000350001931 1031102190 /nfs/dbraw/zinc/10/21/90/1031102190.db2.gz IFFLLLSPDOKUMG-UHFFFAOYSA-N -1 3 344.370 3.729 20 0 EHADHM CCCN(C(=O)c1cc2c(cc1[O-])OCO2)[C@@H]1CCc2ccccc21 ZINC000436540507 1031608394 /nfs/dbraw/zinc/60/83/94/1031608394.db2.gz PDBWJNYBFRLRGY-MRXNPFEDSA-N -1 3 339.391 3.661 20 0 EHADHM Cc1c2cccc(Cl)c2sc1CNCc1cnn(C)c1C(=O)[O-] ZINC000904068386 1031694819 /nfs/dbraw/zinc/69/48/19/1031694819.db2.gz UKBLFJFJHAXTMX-UHFFFAOYSA-N -1 3 349.843 3.585 20 0 EHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC(C(F)(F)F)CC1 ZINC000469424185 1031762921 /nfs/dbraw/zinc/76/29/21/1031762921.db2.gz KBTJQRYEPSCDMY-UHFFFAOYSA-N -1 3 333.325 3.655 20 0 EHADHM CC(C)(C)OCc1cccc(CNC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000448866790 1031796731 /nfs/dbraw/zinc/79/67/31/1031796731.db2.gz STGSFDJQDATOOH-UHFFFAOYSA-N -1 3 345.414 3.705 20 0 EHADHM CC(C)(Cc1ccccc1Cl)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448897227 1031847893 /nfs/dbraw/zinc/84/78/93/1031847893.db2.gz 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332.403 3.799 20 0 EHADHM CCCC[C@H](CC)COCCCNc1ccccc1-c1nnn[n-]1 ZINC001168114882 1033707634 /nfs/dbraw/zinc/70/76/34/1033707634.db2.gz CWJWJIWUMFWJFU-HNNXBMFYSA-N -1 3 331.464 3.902 20 0 EHADHM CCCC[C@H](CC)COCCCNc1ccccc1-c1nn[n-]n1 ZINC001168114882 1033707643 /nfs/dbraw/zinc/70/76/43/1033707643.db2.gz CWJWJIWUMFWJFU-HNNXBMFYSA-N -1 3 331.464 3.902 20 0 EHADHM C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2c([O-])cccc2Cl)c1 ZINC000574933620 1033758677 /nfs/dbraw/zinc/75/86/77/1033758677.db2.gz ZQMIHNSKLGBMBV-GXFFZTMASA-N -1 3 344.798 3.892 20 0 EHADHM O=C(NCc1ccc([O-])c(F)c1)C1(c2ccc(F)cc2F)CCCC1 ZINC000534184720 1034217742 /nfs/dbraw/zinc/21/77/42/1034217742.db2.gz TWJFWMPGDJPVLJ-UHFFFAOYSA-N -1 3 349.352 3.938 20 0 EHADHM CCc1nc2ccc(NC(=O)c3cccc(OC)c3[O-])cc2s1 ZINC001299887963 1034429173 /nfs/dbraw/zinc/42/91/73/1034429173.db2.gz XUWZTMFBUXSOCI-UHFFFAOYSA-N -1 3 328.393 3.825 20 0 EHADHM CSc1ccc([O-])c(C(=O)N2C[C@@H](C)O[C@@H](c3ccsc3)C2)c1 ZINC000612356964 1034831113 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O=C(COC(=O)c1cccc2[n-]c(C(F)F)nc21)C1CCCCC1 ZINC000924080376 1035443532 /nfs/dbraw/zinc/44/35/32/1035443532.db2.gz RPMMHDLFSMQLEF-UHFFFAOYSA-N -1 3 336.338 3.807 20 0 EHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)CCCc3ccccc3)c2)n1 ZINC000156597133 1035504293 /nfs/dbraw/zinc/50/42/93/1035504293.db2.gz QDQRSGUKRMNQPW-UHFFFAOYSA-N -1 3 348.402 3.674 20 0 EHADHM O=C(/C=C\c1cccc(CO)c1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000492275458 1035571001 /nfs/dbraw/zinc/57/10/01/1035571001.db2.gz UAJQXOFBIMITHN-DAXSKMNVSA-N -1 3 337.297 3.555 20 0 EHADHM CCOC(=O)c1ccc(NC(=O)CCCc2cccs2)c([O-])c1 ZINC000534828964 1035649370 /nfs/dbraw/zinc/64/93/70/1035649370.db2.gz WBLINHRZPYVQIW-UHFFFAOYSA-N -1 3 333.409 3.592 20 0 EHADHM COc1cccc(-c2nc([C@@H]3CSc4ccccc4O3)no2)c1[O-] ZINC000392530864 1035704808 /nfs/dbraw/zinc/70/48/08/1035704808.db2.gz CUAKSBKOBLSERS-ZDUSSCGKSA-N -1 3 342.376 3.677 20 0 EHADHM CSc1ccc([O-])c(C(=O)N2Cc3ccccc3OC[C@@H]2C)c1 ZINC000613405185 1035759556 /nfs/dbraw/zinc/75/95/56/1035759556.db2.gz LQWKTGNRVGKTQU-LBPRGKRZSA-N -1 3 329.421 3.537 20 0 EHADHM CCc1ccc([O-])c(C(=O)N(C)C[C@@H](C)Cc2ccc(OC)cc2)c1 ZINC000534938401 1035783548 /nfs/dbraw/zinc/78/35/48/1035783548.db2.gz GEZFJTSXRZCUJY-HNNXBMFYSA-N -1 3 341.451 3.914 20 0 EHADHM C[C@@H]1CC[C@@H](Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)C1 ZINC000540923498 1035794493 /nfs/dbraw/zinc/79/44/93/1035794493.db2.gz YDMXKGAAJISSLB-DGCLKSJQSA-N -1 3 326.425 3.802 20 0 EHADHM CCSc1ccccc1C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000540919972 1035814856 /nfs/dbraw/zinc/81/48/56/1035814856.db2.gz HRJHVKGWJYNBNN-UHFFFAOYSA-N -1 3 328.397 3.737 20 0 EHADHM CC[C@H]1CCCC[C@@H]1NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000892546096 1035878141 /nfs/dbraw/zinc/87/81/41/1035878141.db2.gz BBGZKIRFVRXAJB-BONVTDFDSA-N -1 3 334.366 3.505 20 0 EHADHM CC1(C)C[C@@H](c2ccccc2)N(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000572134336 1036008916 /nfs/dbraw/zinc/00/89/16/1036008916.db2.gz ZPFIBZBKEPFPAT-INIZCTEOSA-N -1 3 337.423 3.673 20 0 EHADHM CC[C@]1(C(=O)[O-])CCCN(Cc2ccccc2OC(F)(F)F)C1 ZINC000321296867 1036230249 /nfs/dbraw/zinc/23/02/49/1036230249.db2.gz LJTQKEDWUKNYMK-HNNXBMFYSA-N -1 3 331.334 3.662 20 0 EHADHM COc1cc(C)ccc1C[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000757052250 1036245343 /nfs/dbraw/zinc/24/53/43/1036245343.db2.gz CVWCFIHMLYBSMP-UHFFFAOYSA-N -1 3 341.304 3.690 20 0 EHADHM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000464371557 1036387221 /nfs/dbraw/zinc/38/72/21/1036387221.db2.gz CFJSVGAGZFFSMX-LURJTMIESA-N -1 3 336.162 3.613 20 0 EHADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000193184890 1036590886 /nfs/dbraw/zinc/59/08/86/1036590886.db2.gz WKNSZASSDVQATH-CQSZACIVSA-N -1 3 340.404 3.685 20 0 EHADHM Cc1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)c1 ZINC000590263495 1036829042 /nfs/dbraw/zinc/82/90/42/1036829042.db2.gz WLDYVIPJPIZYLU-UHFFFAOYSA-N -1 3 333.306 3.954 20 0 EHADHM COc1cccc(C(=O)Nc2cccc(OC(F)(F)F)c2)c1[O-] ZINC000302925165 1036860735 /nfs/dbraw/zinc/86/07/35/1036860735.db2.gz BAWOSIWJIQUENK-UHFFFAOYSA-N -1 3 327.258 3.552 20 0 EHADHM CCc1ccc([O-])c(C(=O)Nc2nnc(Cc3ccccc3)s2)c1 ZINC000590498140 1036902551 /nfs/dbraw/zinc/90/25/51/1036902551.db2.gz VKLCIUHRIYJYMF-UHFFFAOYSA-N -1 3 339.420 3.649 20 0 EHADHM O=c1[n-]c(CN2CCSc3ccccc32)nc2c3ccccc3oc21 ZINC000007049629 1036988352 /nfs/dbraw/zinc/98/83/52/1036988352.db2.gz LAJUMALKHSTXJP-UHFFFAOYSA-N -1 3 349.415 3.782 20 0 EHADHM Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)[N-]c3cnoc3)c12 ZINC000623940387 1037023842 /nfs/dbraw/zinc/02/38/42/1037023842.db2.gz DEORPZFUOQFAGG-UHFFFAOYSA-N -1 3 338.298 3.578 20 0 EHADHM CCCCOc1ccc(C(=O)N2CCC3(CC(OCC)C3)C2)c([O-])c1 ZINC000376468143 1037061180 /nfs/dbraw/zinc/06/11/80/1037061180.db2.gz SEPSBALODMGWKF-UHFFFAOYSA-N -1 3 347.455 3.602 20 0 EHADHM COc1cccc(C(=O)Nc2ccc(Nc3ccccc3)nc2)c1[O-] ZINC000303114977 1037116473 /nfs/dbraw/zinc/11/64/73/1037116473.db2.gz GZAIXCYYTQKKMP-UHFFFAOYSA-N -1 3 335.363 3.792 20 0 EHADHM COc1cc(CN(C)Cc2ccc(C(=O)[O-])cc2)ccc1SC ZINC000263566492 1037151278 /nfs/dbraw/zinc/15/12/78/1037151278.db2.gz GCANNQDKGOQPSZ-UHFFFAOYSA-N -1 3 331.437 3.747 20 0 EHADHM COc1ccc(CNC(=O)c2ccccc2[O-])cc1OC1CCCC1 ZINC000303182430 1037188293 /nfs/dbraw/zinc/18/82/93/1037188293.db2.gz KMPULBRFESXZMV-UHFFFAOYSA-N -1 3 341.407 3.652 20 0 EHADHM CCc1ccc([O-])c(C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000539843388 1037270897 /nfs/dbraw/zinc/27/08/97/1037270897.db2.gz ZGXMUZBEVIQIGN-GOSISDBHSA-N -1 3 339.435 3.776 20 0 EHADHM O=C(Cc1ccc(Br)cc1)Nc1cc(Cl)ccc1[O-] ZINC000006535510 1037300596 /nfs/dbraw/zinc/30/05/96/1037300596.db2.gz NCINUZADFXPGJD-UHFFFAOYSA-N -1 3 340.604 3.989 20 0 EHADHM O=S(=O)([N-][C@@H]1CC[C@H]2CCC[C@H]2C1)c1cc(F)ccc1Cl ZINC000462715383 1037318106 /nfs/dbraw/zinc/31/81/06/1037318106.db2.gz AFFLEXHEFGSLEV-NTZNESFSSA-N -1 3 331.840 3.726 20 0 EHADHM C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000591398964 1037401987 /nfs/dbraw/zinc/40/19/87/1037401987.db2.gz HMJOESGJYQFIHZ-GZMMTYOYSA-N -1 3 341.782 3.826 20 0 EHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1Cl ZINC000007305141 1037478220 /nfs/dbraw/zinc/47/82/20/1037478220.db2.gz YSIACVUAVKJYLN-MRVPVSSYSA-N -1 3 349.761 3.797 20 0 EHADHM CCOC(=O)c1ccc(NC(=O)[C@H](CC)OC2CCCCC2)c([O-])c1 ZINC000540029210 1037488313 /nfs/dbraw/zinc/48/83/13/1037488313.db2.gz RVGZPNJNUFCYHA-KRWDZBQOSA-N -1 3 349.427 3.635 20 0 EHADHM Cc1cc(/C=C/C(=O)[N-]OCC(F)(F)F)ccc1C(F)(F)F ZINC000493742873 1037592636 /nfs/dbraw/zinc/59/26/36/1037592636.db2.gz UNICWCBVHDLDHY-HWKANZROSA-N -1 3 327.224 3.637 20 0 EHADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccccc1-n1cccn1 ZINC000378030674 1037709116 /nfs/dbraw/zinc/70/91/16/1037709116.db2.gz UMBMOJQEEFUFGG-GFCCVEGCSA-N -1 3 341.798 3.722 20 0 EHADHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000592002450 1037783426 /nfs/dbraw/zinc/78/34/26/1037783426.db2.gz GSZBCVYOYVPGOK-SNVBAGLBSA-N -1 3 337.828 3.773 20 0 EHADHM Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@](C)(C1CC1)C(F)(F)F ZINC000479140258 1037786797 /nfs/dbraw/zinc/78/67/97/1037786797.db2.gz LOLDPVYMZPZINP-LBPRGKRZSA-N -1 3 341.782 3.658 20 0 EHADHM CCc1ccc([O-])c(C(=O)Nc2ccc(C(=O)N(CC)CC)cc2)c1 ZINC000532609979 1037889157 /nfs/dbraw/zinc/88/91/57/1037889157.db2.gz HSJLBWKLINLVHI-UHFFFAOYSA-N -1 3 340.423 3.689 20 0 EHADHM O=C(c1ccccc1[O-])N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000378228449 1038263920 /nfs/dbraw/zinc/26/39/20/1038263920.db2.gz KJSVNSDSWOIACA-GFCCVEGCSA-N -1 3 340.354 3.692 20 0 EHADHM COc1cc(C(=O)N[C@H](C)c2ccc(C3CC3)cc2)cc(OC)c1[O-] ZINC000416294475 1038490683 /nfs/dbraw/zinc/49/06/83/1038490683.db2.gz YJNMTUBPMYNKOO-GFCCVEGCSA-N -1 3 341.407 3.778 20 0 EHADHM CCc1ccc(-c2ccc(C(=O)N3CCCc4c(=O)[n-]cnc43)o2)cc1 ZINC000893212383 1038495146 /nfs/dbraw/zinc/49/51/46/1038495146.db2.gz DPKUTCULBOSZJM-UHFFFAOYSA-N -1 3 349.390 3.598 20 0 EHADHM CC(C)(C)C1CCC(CC(=O)N2CCCc3c(=O)[n-]cnc32)CC1 ZINC000893212388 1038495171 /nfs/dbraw/zinc/49/51/71/1038495171.db2.gz DYLDDAHVJOVYEM-UHFFFAOYSA-N -1 3 331.460 3.704 20 0 EHADHM CC(C)[C@@H](C(=O)N1CCCc2c(=O)[n-]cnc21)c1cccc(Cl)c1 ZINC000893213511 1038506567 /nfs/dbraw/zinc/50/65/67/1038506567.db2.gz ZFIVSUBIWSYPRO-OAHLLOKOSA-N -1 3 345.830 3.555 20 0 EHADHM CCc1cccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)c1[O-] ZINC000538745867 1038510599 /nfs/dbraw/zinc/51/05/99/1038510599.db2.gz GZULAYPSGCTSAY-UHFFFAOYSA-N -1 3 335.787 3.878 20 0 EHADHM CCc1cccc(C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2)c1[O-] ZINC000538744176 1038511256 /nfs/dbraw/zinc/51/12/56/1038511256.db2.gz RETFLNHEGCVLRF-SFHVURJKSA-N -1 3 338.451 3.696 20 0 EHADHM CCc1cccc(C(=O)N2C[C@H](c3ccccc3)OC[C@@H]2C)c1[O-] ZINC000538788901 1038543000 /nfs/dbraw/zinc/54/30/00/1038543000.db2.gz KHMXRUSIVQFHCQ-KBXCAEBGSA-N -1 3 325.408 3.557 20 0 EHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)cc1O ZINC000462101081 1038751519 /nfs/dbraw/zinc/75/15/19/1038751519.db2.gz IJOIRZIDUXDNIR-UHFFFAOYSA-N -1 3 349.452 3.926 20 0 EHADHM COc1ccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cc1C ZINC000432695410 1038800955 /nfs/dbraw/zinc/80/09/55/1038800955.db2.gz KYTPGBXUBDSPOX-JXAWBTAJSA-N -1 3 332.403 3.870 20 0 EHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000436761101 1038857707 /nfs/dbraw/zinc/85/77/07/1038857707.db2.gz VTEGAPKBLGSYFL-CQSZACIVSA-N -1 3 345.782 3.752 20 0 EHADHM COCc1cnc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)s1 ZINC000432704661 1038868916 /nfs/dbraw/zinc/86/89/16/1038868916.db2.gz OPYBGIXADPNCGZ-GXDHUFHOSA-N -1 3 339.420 3.568 20 0 EHADHM Cc1ccccc1-c1cc(=NC(=O)c2cncc3ccccc32)[nH][n-]1 ZINC000512363813 1038873049 /nfs/dbraw/zinc/87/30/49/1038873049.db2.gz VJQHZJWGPHQSGW-UHFFFAOYSA-N -1 3 328.375 3.608 20 0 EHADHM C[C@@H]1CC(C)(C)CN1C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000910462599 1038920654 /nfs/dbraw/zinc/92/06/54/1038920654.db2.gz SYXJOSDNFSAZQY-SNVBAGLBSA-N -1 3 339.461 3.751 20 0 EHADHM CC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)c1[O-] ZINC000552069885 1038935297 /nfs/dbraw/zinc/93/52/97/1038935297.db2.gz OYFISUKWXBYBMR-STQMWFEESA-N -1 3 331.318 3.615 20 0 EHADHM O=c1[n-]c(CN2CCCC[C@H]2c2cc[nH]n2)nc2c3ccccc3oc21 ZINC000552098078 1038984981 /nfs/dbraw/zinc/98/49/81/1038984981.db2.gz XBLXBOBQBTWWON-AWEZNQCLSA-N -1 3 349.394 3.532 20 0 EHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1ccnnc1 ZINC000093094692 1039093171 /nfs/dbraw/zinc/09/31/71/1039093171.db2.gz XYRDECCAOVZNGU-UHFFFAOYSA-N -1 3 348.387 3.711 20 0 EHADHM CSc1nc(NC(=O)c2cccc(Nc3ccccc3)c2)n[n-]1 ZINC000345038877 1039093686 /nfs/dbraw/zinc/09/36/86/1039093686.db2.gz VPIIXJNKXFJLEE-UHFFFAOYSA-N -1 3 325.397 3.523 20 0 EHADHM O=C(c1cc([O-])c2ccccc2c1)N1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000294018089 1039143968 /nfs/dbraw/zinc/14/39/68/1039143968.db2.gz DWURNIJRYCAYSN-IBGZPJMESA-N -1 3 337.419 3.577 20 0 EHADHM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000488405084 1039153148 /nfs/dbraw/zinc/15/31/48/1039153148.db2.gz HNMVIPOUNXFZQM-STQMWFEESA-N -1 3 336.395 3.993 20 0 EHADHM CSCc1cccc(-c2noc(-c3cc4c(cc3[O-])OCO4)n2)c1 ZINC000436922987 1039279511 /nfs/dbraw/zinc/27/95/11/1039279511.db2.gz ALAUKXYFNLQTAL-UHFFFAOYSA-N -1 3 342.376 3.701 20 0 EHADHM Cc1ccc(C=Cc2nc(S[C@H](C)c3nc(C)cc(=O)[n-]3)n[nH]2)o1 ZINC000488611078 1039298077 /nfs/dbraw/zinc/29/80/77/1039298077.db2.gz QMLABSGZMLZWPG-JMEBYUIHSA-N -1 3 343.412 3.534 20 0 EHADHM CCc1ccc([C@@H]2CCCN(C(=O)N=c3cc4ccccn4[n-]3)C2)cc1 ZINC000554416808 1039323616 /nfs/dbraw/zinc/32/36/16/1039323616.db2.gz REIMCNRGJDFQSO-GOSISDBHSA-N -1 3 348.450 3.730 20 0 EHADHM C[C@@H]1CCC[C@H](CC(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000488667485 1039323997 /nfs/dbraw/zinc/32/39/97/1039323997.db2.gz QOJVBRWLKZGENR-NEPJUHHUSA-N -1 3 340.261 3.987 20 0 EHADHM Cc1cccc2cc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)sc21 ZINC000485642835 1039326691 /nfs/dbraw/zinc/32/66/91/1039326691.db2.gz JMOGQLCGKHNUCF-UHFFFAOYSA-N -1 3 335.392 3.642 20 0 EHADHM Cc1cccc2cc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)sc21 ZINC000485642835 1039326707 /nfs/dbraw/zinc/32/67/07/1039326707.db2.gz JMOGQLCGKHNUCF-UHFFFAOYSA-N -1 3 335.392 3.642 20 0 EHADHM Cc1ccccc1C[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000488759417 1039378687 /nfs/dbraw/zinc/37/86/87/1039378687.db2.gz LMTFQNFXPSNPQZ-LBPRGKRZSA-N -1 3 341.835 3.697 20 0 EHADHM O=S(=O)([N-]Cc1ccccc1Cl)c1cc(F)ccc1Cl ZINC000488853907 1039437422 /nfs/dbraw/zinc/43/74/22/1039437422.db2.gz MSBMDLMVTLGUAA-UHFFFAOYSA-N -1 3 334.199 3.611 20 0 EHADHM C[C@H]1CC[C@H](c2ccccc2)N(C(=O)N=c2cc3ccccn3[n-]2)C1 ZINC000554525416 1039446845 /nfs/dbraw/zinc/44/68/45/1039446845.db2.gz YEBYTYPWEGRADQ-MAUKXSAKSA-N -1 3 334.423 3.761 20 0 EHADHM CC(C)c1ncc(Cl)c(C(=O)Nc2c([O-])cccc2Cl)n1 ZINC000552783256 1039526149 /nfs/dbraw/zinc/52/61/49/1039526149.db2.gz KLICTFKDCZVKKK-UHFFFAOYSA-N -1 3 326.183 3.865 20 0 EHADHM CC(C)C[C@H](NC(=O)NN=c1ccc(Cl)n[n-]1)c1cccs1 ZINC000128407505 1039530924 /nfs/dbraw/zinc/53/09/24/1039530924.db2.gz WESBDZLKMCYCDT-JTQLQIEISA-N -1 3 339.852 3.605 20 0 EHADHM CCC(F)(F)C(C)(C)CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000628881457 1039544321 /nfs/dbraw/zinc/54/43/21/1039544321.db2.gz LZRNDFILEJCOLM-UHFFFAOYSA-N -1 3 343.418 3.589 20 0 EHADHM CC(C)c1ccc(/C=C\CC(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC000911855315 1039553436 /nfs/dbraw/zinc/55/34/36/1039553436.db2.gz QQUXHVOCTSYTHO-LIMHQNJXSA-N -1 3 339.439 3.658 20 0 EHADHM CCn1cc(Br)cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000511615699 1039651961 /nfs/dbraw/zinc/65/19/61/1039651961.db2.gz WZFVZTTXAINBAM-UHFFFAOYSA-N -1 3 343.608 3.882 20 0 EHADHM CC(C)c1ccc(C(=O)N2CCC[C@@H]2[C@H]2C[C@H](C)CC[C@@H]2O)c([O-])c1 ZINC000408410052 1039669782 /nfs/dbraw/zinc/66/97/82/1039669782.db2.gz IPZFLRUVMSXMGX-AXUOBQJMSA-N -1 3 345.483 3.917 20 0 EHADHM CC[C@](C)([N-]C(=O)C(F)(F)c1cccc(OC)c1)c1nccs1 ZINC000906769191 1039743325 /nfs/dbraw/zinc/74/33/25/1039743325.db2.gz AIQOBJXTCHUIEN-HNNXBMFYSA-N -1 3 340.395 3.685 20 0 EHADHM O=C(N=c1cc(-c2cccc(F)c2)o[n-]1)c1coc(C2CCCC2)n1 ZINC000549773257 1039829112 /nfs/dbraw/zinc/82/91/12/1039829112.db2.gz MAZIYZGKGJBUGO-UHFFFAOYSA-N -1 3 341.342 3.801 20 0 EHADHM CC1(C)Cc2cc(C=Cc3cc(=O)[n-]c(-c4ccncc4)n3)ccc2O1 ZINC000486081364 1039849448 /nfs/dbraw/zinc/84/94/48/1039849448.db2.gz ZAHZIRBYXUMLES-HWKANZROSA-N -1 3 345.402 3.716 20 0 EHADHM Cc1nc(CCNCc2c(F)cc(C)cc2Cl)sc1C(=O)[O-] ZINC000417543690 1039973149 /nfs/dbraw/zinc/97/31/49/1039973149.db2.gz GIHBFYKCBUEXBF-UHFFFAOYSA-N -1 3 342.823 3.583 20 0 EHADHM COCc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)cc1 ZINC000417574879 1040011101 /nfs/dbraw/zinc/01/11/01/1040011101.db2.gz SCNHAKASBVSISJ-KRWDZBQOSA-N -1 3 333.815 3.710 20 0 EHADHM COCCCOc1ccc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)cc1 ZINC000473446260 1040015072 /nfs/dbraw/zinc/01/50/72/1040015072.db2.gz AWIVXMUCLBVHMV-UHFFFAOYSA-N -1 3 344.798 3.659 20 0 EHADHM CCCSC[C@@H](NCc1csc(Cl)c1Cl)C(=O)[O-] ZINC000417579450 1040027295 /nfs/dbraw/zinc/02/72/95/1040027295.db2.gz CRHTWYVVLHMJPE-MRVPVSSYSA-N -1 3 328.286 3.741 20 0 EHADHM CCOc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(OC)c2)cc1F ZINC000417581383 1040030758 /nfs/dbraw/zinc/03/07/58/1040030758.db2.gz HLPPHBAMRKWSAW-KRWDZBQOSA-N -1 3 347.386 3.539 20 0 EHADHM COc1ccc(Sc2nsc([N-]C(=O)c3cc(C)co3)n2)cc1 ZINC001126893467 1040037422 /nfs/dbraw/zinc/03/74/22/1040037422.db2.gz FGKXSZPZOJJYLL-UHFFFAOYSA-N -1 3 347.421 3.852 20 0 EHADHM CC(C)Cc1ncc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC000417631911 1040092282 /nfs/dbraw/zinc/09/22/82/1040092282.db2.gz SLYQKPNPHKWSRL-HOTGVXAUSA-N -1 3 330.453 3.744 20 0 EHADHM CC(=O)c1ccc(C(=O)N(Cc2ccccc2F)C(C)C)cc1[O-] ZINC000667465509 1040121584 /nfs/dbraw/zinc/12/15/84/1040121584.db2.gz YYNNXBIRWMVQLN-UHFFFAOYSA-N -1 3 329.371 3.785 20 0 EHADHM Cc1cnc(Cl)c(S(=O)(=O)[N-][C@@H](C)CC2CCCCC2)c1 ZINC001211742389 1040214240 /nfs/dbraw/zinc/21/42/40/1040214240.db2.gz VYGQUGVBAYAHMI-LBPRGKRZSA-N -1 3 330.881 3.681 20 0 EHADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1CCCC[C@H]1C1CCC1 ZINC000899332694 1040336078 /nfs/dbraw/zinc/33/60/78/1040336078.db2.gz XXMDINOOHPEYCA-KRWDZBQOSA-N -1 3 346.377 3.601 20 0 EHADHM C[C@@H]1CCN(C(=O)c2nnc3ccccc3c2[O-])[C@H]1c1ccccc1 ZINC000899375679 1040392741 /nfs/dbraw/zinc/39/27/41/1040392741.db2.gz MGAKRUXQDNVMGE-FZKQIMNGSA-N -1 3 333.391 3.559 20 0 EHADHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1ccsc1 ZINC000128312433 1040466272 /nfs/dbraw/zinc/46/62/72/1040466272.db2.gz OSARQSYTOGEDBW-LLVKDONJSA-N -1 3 348.811 3.680 20 0 EHADHM CCc1cccc(C(=O)N2CCC[C@H](Cc3nc(C)cs3)C2)c1[O-] ZINC000899542009 1040694788 /nfs/dbraw/zinc/69/47/88/1040694788.db2.gz GIWWDTOODQFLRT-CQSZACIVSA-N -1 3 344.480 3.814 20 0 EHADHM Cc1ccc(N(CC2CC2)C(=O)c2cnc(C3CC3)[n-]c2=O)cc1F ZINC000913337697 1040737386 /nfs/dbraw/zinc/73/73/86/1040737386.db2.gz LBAMWYOOGDQWNW-UHFFFAOYSA-N -1 3 341.386 3.564 20 0 EHADHM CC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)cc1[O-] ZINC000411334495 1040743209 /nfs/dbraw/zinc/74/32/09/1040743209.db2.gz BSRFZVXJNWKEQW-ZDUSSCGKSA-N -1 3 341.407 3.873 20 0 EHADHM O=C([N-]c1nnc(C(F)F)s1)c1cccc(C(F)(F)F)c1F ZINC000429865217 1040842787 /nfs/dbraw/zinc/84/27/87/1040842787.db2.gz GWWVYROYPQAJCB-UHFFFAOYSA-N -1 3 341.236 3.886 20 0 EHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)[C@@H]1CCC[C@@H](F)C1 ZINC000567717919 1040886522 /nfs/dbraw/zinc/88/65/22/1040886522.db2.gz XQPVRHQMMNCQCD-VXGBXAGGSA-N -1 3 328.347 3.685 20 0 EHADHM O=C(NCc1ccc([O-])c(Br)c1)[C@H]1CC2CCC1CC2 ZINC000481449327 1040917999 /nfs/dbraw/zinc/91/79/99/1040917999.db2.gz DMUHAVPKGTUCRA-GDKBPFBDSA-N -1 3 338.245 3.597 20 0 EHADHM O=C(Nc1ccccc1Cc1ccccc1)c1cc(F)cc2n[n-]nc21 ZINC000433219276 1041104957 /nfs/dbraw/zinc/10/49/57/1041104957.db2.gz IZJDSYWOZZLYNL-UHFFFAOYSA-N -1 3 346.365 3.940 20 0 EHADHM CCc1cccc(C(=O)Nc2cccc([C@H]3CCCC(=O)N3)c2)c1[O-] ZINC000899802724 1041141056 /nfs/dbraw/zinc/14/10/56/1041141056.db2.gz HITZNYNPFDIKOU-QGZVFWFLSA-N -1 3 338.407 3.548 20 0 EHADHM COC(=O)c1ccc(C(=O)Nc2ccc3nc(C4CC4)sc3c2)[n-]1 ZINC000433242905 1041145917 /nfs/dbraw/zinc/14/59/17/1041145917.db2.gz GXZWDOJJFRJIRV-UHFFFAOYSA-N -1 3 341.392 3.541 20 0 EHADHM CSc1ccc([O-])c(C(=O)N2CCO[C@H](c3ccccc3C)C2)c1 ZINC000669179767 1041191225 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O=S(=O)([N-]c1ccc(N2CCCCCC2)cc1)c1ccccc1 ZINC000244206873 1042435098 /nfs/dbraw/zinc/43/50/98/1042435098.db2.gz VRXGTOKKZCYQNU-UHFFFAOYSA-N -1 3 330.453 3.868 20 0 EHADHM O=C([O-])[C@H](c1ccsc1)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000652423368 1042468413 /nfs/dbraw/zinc/46/84/13/1042468413.db2.gz VJWGLSDFDZLNIG-CJNGLKHVSA-N -1 3 347.411 3.608 20 0 EHADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CCCCF)c1Cl ZINC000643214863 1042544952 /nfs/dbraw/zinc/54/49/52/1042544952.db2.gz DDXCHQYNNFPLQR-UHFFFAOYSA-N -1 3 328.236 3.638 20 0 EHADHM CCCn1nccc1CN[C@@H](CC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000663260837 1042609808 /nfs/dbraw/zinc/60/98/08/1042609808.db2.gz WRRNPJYJZRKXAJ-SFHVURJKSA-N -1 3 329.444 3.722 20 0 EHADHM CCOc1cc(C=NNc2ccccc2)cc(Br)c1[O-] ZINC000254858321 1042631266 /nfs/dbraw/zinc/63/12/66/1042631266.db2.gz NSLPNFCORVOPLV-UHFFFAOYSA-N -1 3 335.201 3.999 20 0 EHADHM Cc1cccc(-c2cncc(C(=O)Nc3n[n-]c(-c4ccco4)n3)c2)c1 ZINC000162126558 1042709383 /nfs/dbraw/zinc/70/93/83/1042709383.db2.gz SPMJWLCAVUCIOD-UHFFFAOYSA-N -1 3 345.362 3.687 20 0 EHADHM O=S(=O)(Cc1cccc(F)c1)[N-]c1cnccc1-c1ccccc1 ZINC000432355430 1042992544 /nfs/dbraw/zinc/99/25/44/1042992544.db2.gz DUUIXCWJYHTJHU-UHFFFAOYSA-N -1 3 342.395 3.830 20 0 EHADHM Cc1nc([N-]C(=O)c2csc(-c3cccc4ccccc43)n2)nn1C ZINC000344551724 1044119541 /nfs/dbraw/zinc/11/95/41/1044119541.db2.gz DVAKEBXMXDDOKG-UHFFFAOYSA-N -1 3 349.419 3.653 20 0 EHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CCOc2c(F)cccc21 ZINC000344870892 1044567888 /nfs/dbraw/zinc/56/78/88/1044567888.db2.gz TYQFWSHXVLOHDC-MRXNPFEDSA-N -1 3 347.361 3.633 20 0 EHADHM CCCc1nnc([N-]C(=O)c2cnc(-c3ccsc3)s2)s1 ZINC000112230046 1044590609 /nfs/dbraw/zinc/59/06/09/1044590609.db2.gz HPYFJMDHLRJVAX-UHFFFAOYSA-N -1 3 336.467 3.928 20 0 EHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cccc(Oc2ccncc2)c1 ZINC000112634873 1044619866 /nfs/dbraw/zinc/61/98/66/1044619866.db2.gz ZGJDUOXFEQZDIY-UHFFFAOYSA-N -1 3 347.334 3.504 20 0 EHADHM O=S(=O)([N-][C@H]1CC[C@H](F)C1)c1ccc(Cl)cc1C(F)(F)F ZINC000344925030 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CC(C)(C)[C@H]1CCc2sc(C(=O)NCc3ncccc3[O-])cc2C1 ZINC000622570595 1126726316 /nfs/dbraw/zinc/72/63/16/1126726316.db2.gz JHQAFGVTSIRYGI-ZDUSSCGKSA-N -1 3 344.480 3.930 20 0 EHADHM CCc1ccc(C(=O)N2Cc3ccccc3OC(C)(C)C2)c([O-])c1 ZINC000622604633 1126728398 /nfs/dbraw/zinc/72/83/98/1126728398.db2.gz LQBCLIGTQITHNT-UHFFFAOYSA-N -1 3 325.408 3.768 20 0 EHADHM C[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1cscn1 ZINC000622748532 1126757154 /nfs/dbraw/zinc/75/71/54/1126757154.db2.gz FBDRUEDPFOGOPJ-CYBMUJFWSA-N -1 3 338.432 3.931 20 0 EHADHM CC1=CC[C@](C)(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CC1 ZINC000622887741 1126809155 /nfs/dbraw/zinc/80/91/55/1126809155.db2.gz GTMKVENSJFOLJL-ZDUSSCGKSA-N -1 3 335.757 3.596 20 0 EHADHM Cc1cc(F)cc(C)c1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000622888210 1126809546 /nfs/dbraw/zinc/80/95/46/1126809546.db2.gz XMSAEGSBMPCTQS-UHFFFAOYSA-N -1 3 349.715 3.529 20 0 EHADHM COCc1cccc(C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)c1 ZINC000622892288 1126814729 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C[C@@H](c1ccccc1)N(C)C(=O)COC(=O)c1cc2ccsc2[n-]1 ZINC000914891291 1121039305 /nfs/dbraw/zinc/03/93/05/1121039305.db2.gz MPHAUPLWNPVJPR-LBPRGKRZSA-N -1 3 342.420 3.606 20 0 EHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3cccc(C(C)C)n3)c2)n1 ZINC000762087658 1121098905 /nfs/dbraw/zinc/09/89/05/1121098905.db2.gz HXOSMWUUPVMMJA-UHFFFAOYSA-N -1 3 349.390 3.895 20 0 EHADHM CN(C)c1ccccc1CN(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000356536922 1128981654 /nfs/dbraw/zinc/98/16/54/1128981654.db2.gz GQDCWYUVBGCORR-UHFFFAOYSA-N -1 3 334.419 3.884 20 0 EHADHM CN(c1nc(CO[N-]C(=O)CCC2CCCCC2)cs1)C1CC1 ZINC000762741630 1121432706 /nfs/dbraw/zinc/43/27/06/1121432706.db2.gz ZUUYMDKZDZUADC-UHFFFAOYSA-N -1 3 337.489 3.650 20 0 EHADHM CCc1ccc(C(=O)Nc2cccc(NC(=O)OC)c2C)c([O-])c1 ZINC000495963366 1121585404 /nfs/dbraw/zinc/58/54/04/1121585404.db2.gz ZXNPENZRUJNHMU-UHFFFAOYSA-N -1 3 328.368 3.694 20 0 EHADHM Cc1nn(Cc2ccccc2Cl)c(C)c1C=C1SC(=O)[N-]C1=O ZINC000915839856 1121687310 /nfs/dbraw/zinc/68/73/10/1121687310.db2.gz AGUZJBCGNSCEOS-AUWJEWJLSA-N -1 3 347.827 3.526 20 0 EHADHM Cc1cc(=O)[n-]c(CSCc2cc(-c3ccc(F)cc3)no2)n1 ZINC000763210290 1121883100 /nfs/dbraw/zinc/88/31/00/1121883100.db2.gz WTCASRPQFVJZRS-UHFFFAOYSA-N -1 3 331.372 3.718 20 0 EHADHM COc1ccc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)c2ccccc12 ZINC000915987265 1122012796 /nfs/dbraw/zinc/01/27/96/1122012796.db2.gz BHLFMWZDKYTLFK-LDADJPATSA-N -1 3 329.355 3.659 20 0 EHADHM C[C@@H](OCc1ccccc1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125321286 1122312999 /nfs/dbraw/zinc/31/29/99/1122312999.db2.gz QWMHBEZILZBOAZ-LLVKDONJSA-N -1 3 339.313 3.955 20 0 EHADHM C[C@H](OCc1ccccc1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125321074 1122313147 /nfs/dbraw/zinc/31/31/47/1122313147.db2.gz QWMHBEZILZBOAZ-NSHDSACASA-N -1 3 339.313 3.955 20 0 EHADHM COC(=O)N(C)c1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000497257576 1122418274 /nfs/dbraw/zinc/41/82/74/1122418274.db2.gz PGPZMAAERYCTKQ-UHFFFAOYSA-N -1 3 334.759 3.501 20 0 EHADHM O=C([N-]c1nnc(C(F)F)s1)c1cc(C(F)(F)F)ccc1F ZINC000127441556 1122484652 /nfs/dbraw/zinc/48/46/52/1122484652.db2.gz DJLQDYIJFPSDAN-UHFFFAOYSA-N -1 3 341.236 3.886 20 0 EHADHM O=C(Cc1csc2ccccc12)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000497571920 1122593880 /nfs/dbraw/zinc/59/38/80/1122593880.db2.gz UYDGKAOZLHOOSL-UHFFFAOYSA-N -1 3 333.416 3.895 20 0 EHADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000497568310 1122594141 /nfs/dbraw/zinc/59/41/41/1122594141.db2.gz SDRVLXWCMDQJCV-CABCVRRESA-N -1 3 337.810 3.894 20 0 EHADHM O=C(Cc1csc(Cc2ccccc2)n1)Nc1cccc([O-])c1F ZINC000128561126 1122624466 /nfs/dbraw/zinc/62/44/66/1122624466.db2.gz FHNQTDASJBXBTD-UHFFFAOYSA-N -1 3 342.395 3.760 20 0 EHADHM CCCOc1ccc(C(=O)Nc2cccc([O-])c2F)cc1OCC ZINC000128719186 1122654510 /nfs/dbraw/zinc/65/45/10/1122654510.db2.gz PKIIQFLHCVEKHL-UHFFFAOYSA-N -1 3 333.359 3.971 20 0 EHADHM [O-]c1cc(Br)cnc1Nc1ccnc(Cl)c1Cl ZINC001212229620 1122668584 /nfs/dbraw/zinc/66/85/84/1122668584.db2.gz APOVLIWQKPFFGC-UHFFFAOYSA-N -1 3 334.988 3.995 20 0 EHADHM COc1ccc(-c2cc(Nc3cc(F)cc(F)c3[O-])n(C)n2)cc1 ZINC001212477491 1129073501 /nfs/dbraw/zinc/07/35/01/1129073501.db2.gz GHJXUBHHQUUYRN-UHFFFAOYSA-N -1 3 331.322 3.823 20 0 EHADHM COc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c(C)c1 ZINC000170708379 1122787944 /nfs/dbraw/zinc/78/79/44/1122787944.db2.gz COMAINVGGMXPIK-UHFFFAOYSA-N -1 3 329.780 3.597 20 0 EHADHM Cc1ccc(-c2cc(C(=O)OCc3nc4ccccc4s3)n[n-]2)o1 ZINC000918497936 1122827447 /nfs/dbraw/zinc/82/74/47/1122827447.db2.gz LZGYASXKBYTLRM-UHFFFAOYSA-N -1 3 339.376 3.945 20 0 EHADHM Cc1ccc(-c2cc(C(=O)OCc3nc4ccccc4s3)[n-]n2)o1 ZINC000918497936 1122827457 /nfs/dbraw/zinc/82/74/57/1122827457.db2.gz LZGYASXKBYTLRM-UHFFFAOYSA-N -1 3 339.376 3.945 20 0 EHADHM CN(Cc1nc2ccccc2n1C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000358729377 1129084082 /nfs/dbraw/zinc/08/40/82/1129084082.db2.gz UICSSRXOEBQCHJ-UHFFFAOYSA-N -1 3 345.402 3.704 20 0 EHADHM CC(=O)c1cccc(NC(=O)COc2ccc(Cl)c(C)c2)c1[O-] ZINC000556892078 1123176876 /nfs/dbraw/zinc/17/68/76/1123176876.db2.gz IBRRIYLTPLNXPU-UHFFFAOYSA-N -1 3 333.771 3.574 20 0 EHADHM CCC[C@@H](Cc1ccccc1)NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000132471446 1123233719 /nfs/dbraw/zinc/23/37/19/1123233719.db2.gz ZYKBJDKQZUEKHG-INIZCTEOSA-N -1 3 343.423 3.551 20 0 EHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)c3ccc4c(c3)OCO4)n[n-]2)o1 ZINC000920157056 1123319816 /nfs/dbraw/zinc/31/98/16/1123319816.db2.gz JNVIHJGOTPAUAT-LLVKDONJSA-N -1 3 340.335 3.625 20 0 EHADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)c3ccc4c(c3)OCO4)[n-]n2)o1 ZINC000920157056 1123319819 /nfs/dbraw/zinc/31/98/19/1123319819.db2.gz JNVIHJGOTPAUAT-LLVKDONJSA-N -1 3 340.335 3.625 20 0 EHADHM CCCCOc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1OC ZINC000132939657 1123320886 /nfs/dbraw/zinc/32/08/86/1123320886.db2.gz NTXUXSWKTKLROG-UHFFFAOYSA-N -1 3 347.386 3.649 20 0 EHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCOC2(CCC2)C1 ZINC000134190596 1123499467 /nfs/dbraw/zinc/49/94/67/1123499467.db2.gz FGPJUMPZYVEJEH-UHFFFAOYSA-N -1 3 339.391 3.580 20 0 EHADHM O=S(=O)([N-]C[C@@H]1CCCC(F)(F)C1)c1cc(F)cc(Cl)c1 ZINC000499646036 1129141852 /nfs/dbraw/zinc/14/18/52/1129141852.db2.gz IIPQDXGZUCEOAL-SECBINFHSA-N -1 3 341.782 3.583 20 0 EHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H](C)Cc1ccco1 ZINC000615474264 1123803738 /nfs/dbraw/zinc/80/37/38/1123803738.db2.gz KMCGCTSRAWDUJC-SECBINFHSA-N -1 3 338.201 3.873 20 0 EHADHM O=C([N-]c1cc(F)ccc1SCC(F)F)c1cccc(F)n1 ZINC000180693758 1124054423 /nfs/dbraw/zinc/05/44/23/1124054423.db2.gz XOEDHLGEJLWNTA-UHFFFAOYSA-N -1 3 330.306 3.969 20 0 EHADHM O=C(Cn1ccc2ccccc21)Nc1ccc(Br)cc1[O-] ZINC000617015843 1124078006 /nfs/dbraw/zinc/07/80/06/1124078006.db2.gz JIIKVMLUXCYOJG-UHFFFAOYSA-N -1 3 345.196 3.748 20 0 EHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc2[nH]ccc2c1 ZINC000085586935 1124629548 /nfs/dbraw/zinc/62/95/48/1124629548.db2.gz KATFWHQJHTZJLX-UHFFFAOYSA-N -1 3 331.169 3.888 20 0 EHADHM COc1cc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2Cl)ccc1[O-] ZINC000181398478 1124813853 /nfs/dbraw/zinc/81/38/53/1124813853.db2.gz RLMUOGJSGFISSV-ZZXKWVIFSA-N -1 3 333.727 3.859 20 0 EHADHM O=C([N-]c1cc(-c2ccccc2)on1)c1cnc([C@@H]2CCCO2)s1 ZINC000089833874 1124862401 /nfs/dbraw/zinc/86/24/01/1124862401.db2.gz SSAUMENMACEAQY-LBPRGKRZSA-N -1 3 341.392 3.902 20 0 EHADHM COc1cc(C(=O)N[C@@H](c2ccccc2F)C(C)C)cc(OC)c1[O-] ZINC000617993193 1124898469 /nfs/dbraw/zinc/89/84/69/1124898469.db2.gz MYUPPKGVYALVKE-QGZVFWFLSA-N -1 3 347.386 3.676 20 0 EHADHM CCc1ccc([O-])c(C(=O)N(C)[C@H](C)Cc2ccccc2OC)c1 ZINC000091981124 1125012190 /nfs/dbraw/zinc/01/21/90/1125012190.db2.gz GQLMJAMYYTZYSJ-CQSZACIVSA-N -1 3 327.424 3.666 20 0 EHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H]2CC(=O)c2cccs2)c1 ZINC000092422976 1125104848 /nfs/dbraw/zinc/10/48/48/1125104848.db2.gz UNIBIYGDUYBFSO-AWEZNQCLSA-N -1 3 343.448 3.894 20 0 EHADHM O=C(N[C@H](c1ccccc1)C1CCCC1)c1nnc2ccccc2c1[O-] ZINC000735519569 1131352353 /nfs/dbraw/zinc/35/23/53/1131352353.db2.gz DGVKBVSWWUJITD-GOSISDBHSA-N -1 3 347.418 3.997 20 0 EHADHM CC1(NC(=O)CCCc2ccc([O-])c(F)c2)CCC(F)(F)CC1 ZINC000682531046 1129223294 /nfs/dbraw/zinc/22/32/94/1129223294.db2.gz WCLZWVKMOLGHAZ-UHFFFAOYSA-N -1 3 329.362 3.938 20 0 EHADHM O=C(NCCCCCc1ccccc1)c1c[n-]c2ccccc2c1=O ZINC000067939478 1129324413 /nfs/dbraw/zinc/32/44/13/1129324413.db2.gz SCOWGHXDKQBQTH-UHFFFAOYSA-N -1 3 334.419 3.671 20 0 EHADHM CC(=O)c1cccc(NC(=O)[C@@H](C)CCc2cccc(F)c2)c1[O-] ZINC000673527302 1129481154 /nfs/dbraw/zinc/48/11/54/1129481154.db2.gz IONOMUVMLRVOTH-LBPRGKRZSA-N -1 3 329.371 3.941 20 0 EHADHM Cc1nc(C)c(CC(=O)Nc2ccccc2Nc2ccccc2)c(=O)[n-]1 ZINC000347725576 1129593939 /nfs/dbraw/zinc/59/39/39/1129593939.db2.gz FTNSOUSGXIWKRL-UHFFFAOYSA-N -1 3 348.406 3.724 20 0 EHADHM O=C(c1cc([O-])ccc1Cl)N1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000391053121 1129647961 /nfs/dbraw/zinc/64/79/61/1129647961.db2.gz NOFSGHVGDZHXDV-KBRIMQKVSA-N -1 3 337.847 3.591 20 0 EHADHM CC(C)CC[C@@H](NC(=O)c1cc(=O)[n-]cn1)c1ccc(Cl)cc1 ZINC001626088785 1129722320 /nfs/dbraw/zinc/72/23/20/1129722320.db2.gz ASQJGEKTKNWGIB-CQSZACIVSA-N -1 3 333.819 3.743 20 0 EHADHM Cc1noc(C(F)F)c1C(=O)[N-]c1nc(C(F)(F)F)cs1 ZINC000673698160 1129804316 /nfs/dbraw/zinc/80/43/16/1129804316.db2.gz RNDWOWRNPTWENV-UHFFFAOYSA-N -1 3 327.234 3.648 20 0 EHADHM CC(C)[C@H](Sc1ccccc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000132749740 1129916301 /nfs/dbraw/zinc/91/63/01/1129916301.db2.gz DBRMJXHDKFZDRS-KRWDZBQOSA-N -1 3 333.428 3.964 20 0 EHADHM CC[C@H](C)c1ccccc1OCC(=O)NCc1ccc([O-])c(F)c1 ZINC000132847837 1129920100 /nfs/dbraw/zinc/92/01/00/1129920100.db2.gz KDUJKLLFSYDQHX-ZDUSSCGKSA-N -1 3 331.387 3.740 20 0 EHADHM [O-]c1ccc(F)c(CNc2cccc(OC[C@@H]3CCCO3)c2)c1F ZINC000509193713 1129949297 /nfs/dbraw/zinc/94/92/97/1129949297.db2.gz GSIXTCWMPKMGQD-AWEZNQCLSA-N -1 3 335.350 3.840 20 0 EHADHM O=C(NCc1ccc(C(F)(F)F)cc1)NCc1ccc([O-])c(F)c1 ZINC000172530365 1130142354 /nfs/dbraw/zinc/14/23/54/1130142354.db2.gz AAOFCHMZDOWACT-UHFFFAOYSA-N -1 3 342.292 3.550 20 0 EHADHM O=C(NCCCc1cccc(Cl)c1)NCc1ccc([O-])c(F)c1 ZINC000172571291 1130144221 /nfs/dbraw/zinc/14/42/21/1130144221.db2.gz RAZYIRALJZFWID-UHFFFAOYSA-N -1 3 336.794 3.617 20 0 EHADHM O=C([N-]c1ccc(Cl)c(F)c1)c1nc([C@@H]2CCCS2)no1 ZINC000289869087 1130636069 /nfs/dbraw/zinc/63/60/69/1130636069.db2.gz QHXRUUKAJYMNBW-JTQLQIEISA-N -1 3 327.768 3.683 20 0 EHADHM Cc1cccc(C(=O)Nc2cnn(-c3ccccc3Cl)c2)c1[O-] ZINC000730189473 1130686543 /nfs/dbraw/zinc/68/65/43/1130686543.db2.gz SRFFVSDOSFLDSC-UHFFFAOYSA-N -1 3 327.771 3.792 20 0 EHADHM CCc1cc(=O)[n-]c(-c2ccc(N3Cc4ccccc4[C@H](C)C3)nc2)n1 ZINC000731662602 1130826816 /nfs/dbraw/zinc/82/68/16/1130826816.db2.gz DJWNYBFMYCIJLR-CQSZACIVSA-N -1 3 346.434 3.930 20 0 EHADHM C[C@H]1C[C@@H]1COC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000731769346 1130840008 /nfs/dbraw/zinc/84/00/08/1130840008.db2.gz SHELSMYWZWSSLP-GXSJLCMTSA-N -1 3 335.201 3.652 20 0 EHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)cc1F ZINC000731782084 1130846604 /nfs/dbraw/zinc/84/66/04/1130846604.db2.gz YMEOKQOTIQMOHK-UHFFFAOYSA-N -1 3 348.443 3.925 20 0 EHADHM CSCC[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000736346533 1131418171 /nfs/dbraw/zinc/41/81/71/1131418171.db2.gz JBFRJVPKANRPOE-VIFPVBQESA-N -1 3 342.313 3.722 20 0 EHADHM Cc1ccc(C(=O)Nc2ccc(N3CCSCC3)cc2)c([O-])c1 ZINC000741577452 1131624063 /nfs/dbraw/zinc/62/40/63/1131624063.db2.gz LHGGNTQNPFSAAM-UHFFFAOYSA-N -1 3 328.437 3.506 20 0 EHADHM CCc1ccc([C@@H](COC)[N-]C(=O)C(F)(F)c2ccc(F)cc2)o1 ZINC000741614644 1131625383 /nfs/dbraw/zinc/62/53/83/1131625383.db2.gz FTNIIAYPXYNCRT-CQSZACIVSA-N -1 3 341.329 3.577 20 0 EHADHM CN(CCCC(=O)Nc1cc(Cl)ccc1[O-])C(=O)OC(C)(C)C ZINC000742814874 1131792444 /nfs/dbraw/zinc/79/24/44/1131792444.db2.gz LEMLUEJEGXJPGD-UHFFFAOYSA-N -1 3 342.823 3.631 20 0 EHADHM O=c1cc(Nc2ccc(Cn3ccnc3)cc2)[n-]n1-c1ccccc1 ZINC001212693990 1131921951 /nfs/dbraw/zinc/92/19/51/1131921951.db2.gz DFUVUSRDIASIBD-UHFFFAOYSA-N -1 3 331.379 3.566 20 0 EHADHM O=C(c1ccccc1)c1ccc(-c2noc(-c3cncc([O-])c3)n2)cc1 ZINC001212708664 1131985354 /nfs/dbraw/zinc/98/53/54/1131985354.db2.gz NWHAEHDSLQWAAS-UHFFFAOYSA-N -1 3 343.342 3.735 20 0 EHADHM FC(F)(F)c1cc2nc([N-]c3ccoc3)nn2cc1Br ZINC001173933711 1132189175 /nfs/dbraw/zinc/18/91/75/1132189175.db2.gz GYKMTZVKFJLKRQ-UHFFFAOYSA-N -1 3 347.094 3.847 20 0 EHADHM COc1ccc(Cn2cc([N-]c3nc4ccc(F)cc4o3)cn2)cc1 ZINC001174434773 1132354521 /nfs/dbraw/zinc/35/45/21/1132354521.db2.gz HBLNHMZVANTFOI-UHFFFAOYSA-N -1 3 338.342 3.964 20 0 EHADHM O=c1nc(CN(CCc2ccccc2)C2CC2)[n-]c2ccsc21 ZINC000746123202 1132379085 /nfs/dbraw/zinc/37/90/85/1132379085.db2.gz JHTWAFFDFBYPOD-UHFFFAOYSA-N -1 3 325.437 3.604 20 0 EHADHM CC(C)S(=O)(=O)c1ccc(Nc2c(F)ccc([O-])c2F)cc1 ZINC001175265438 1132622797 /nfs/dbraw/zinc/62/27/97/1132622797.db2.gz OOOQKEWGCZVBBK-UHFFFAOYSA-N -1 3 327.352 3.596 20 0 EHADHM c1ccc(Oc2cccnc2)c(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175428945 1132665535 /nfs/dbraw/zinc/66/55/35/1132665535.db2.gz CLQCGQOXQJVLTO-UHFFFAOYSA-N -1 3 330.351 3.798 20 0 EHADHM CCC(F)(F)C(=O)[N-]CC(=O)c1sc2ccccc2c1Cl ZINC001175731771 1132747270 /nfs/dbraw/zinc/74/72/70/1132747270.db2.gz ARRVLCSNPJENEC-UHFFFAOYSA-N -1 3 331.771 3.899 20 0 EHADHM FC(F)(F)c1cccc2nc([N-]c3cnn(-c4ccccc4)c3)nn21 ZINC001175791905 1132769258 /nfs/dbraw/zinc/76/92/58/1132769258.db2.gz ALBBXYOVLPXLFS-UHFFFAOYSA-N -1 3 344.300 3.677 20 0 EHADHM COC(=O)C1(c2ccc(Nc3ccc(-n4ccc(=O)[n-]4)cc3)cc2)CC1 ZINC001175920547 1132797463 /nfs/dbraw/zinc/79/74/63/1132797463.db2.gz CCHZIOVTVDSWNU-UHFFFAOYSA-N -1 3 349.390 3.526 20 0 EHADHM C/C(=C\C(=O)[N-]OCC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000766768591 1132803821 /nfs/dbraw/zinc/80/38/21/1132803821.db2.gz OMWDDBJARLDBED-VMPITWQZSA-N -1 3 327.224 3.719 20 0 EHADHM [O-]c1cccnc1CNc1cc(C(F)(F)F)c(Br)cn1 ZINC001169733217 1132843164 /nfs/dbraw/zinc/84/31/64/1132843164.db2.gz QACYNDKGOIRVFZ-UHFFFAOYSA-N -1 3 348.122 3.576 20 0 EHADHM Cc1ccc2ccc(F)c(Nc3cccc(C(=O)N(C)C)c3[O-])c2n1 ZINC001176119153 1132852426 /nfs/dbraw/zinc/85/24/26/1132852426.db2.gz LRESMLCILKYTPD-UHFFFAOYSA-N -1 3 339.370 3.833 20 0 EHADHM Cc1ccc(Nc2ccc(S(C)(=O)=O)cc2F)c(Cl)c1[O-] ZINC001176276721 1132888774 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CC(C)c1ccc(C(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)c([O-])c1 ZINC000770149140 1133394422 /nfs/dbraw/zinc/39/44/22/1133394422.db2.gz CZIDXOQOWYNSIH-BMFZPTHFSA-N -1 3 337.510 3.625 20 0 EHADHM O=C([N-]OCCOc1ccccc1)C1(Cc2cccc(F)c2)CCC1 ZINC001180648720 1133402664 /nfs/dbraw/zinc/40/26/64/1133402664.db2.gz KJQPSQKACIPQCD-UHFFFAOYSA-N -1 3 343.398 3.665 20 0 EHADHM CCCCOc1ccc(C(=O)NCCOC2CCCCC2)c([O-])c1 ZINC001182455624 1133674245 /nfs/dbraw/zinc/67/42/45/1133674245.db2.gz WXOSXRBRIVTXME-UHFFFAOYSA-N -1 3 335.444 3.650 20 0 EHADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@H]3C[C@@H]3C(C)C)nc(=O)c2c1C ZINC000772512304 1133693189 /nfs/dbraw/zinc/69/31/89/1133693189.db2.gz ZETFMNOBWHTDBF-WCQGTBRESA-N -1 3 334.441 3.910 20 0 EHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)C(C)(C)Cc1ccccc1 ZINC001182606455 1133710758 /nfs/dbraw/zinc/71/07/58/1133710758.db2.gz ZQHVBZYRVBFAAZ-UHFFFAOYSA-N -1 3 345.370 3.525 20 0 EHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cnccc3C)nc(=O)c2c1C ZINC000785884998 1133763644 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EHADHM CCOC(=O)c1nc(C)oc1[N-]C(=O)Nc1c(C)cccc1Cl ZINC001183719180 1133845544 /nfs/dbraw/zinc/84/55/44/1133845544.db2.gz MEUHDGYIJFBBGU-UHFFFAOYSA-N -1 3 337.763 3.766 20 0 EHADHM CC(=O)Nc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1C ZINC000786732894 1133892646 /nfs/dbraw/zinc/89/26/46/1133892646.db2.gz WMYOTTDUIZHZCV-UHFFFAOYSA-N -1 3 344.386 3.760 20 0 EHADHM Cc1ccc(OC[C@@H](C)NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000786839902 1133915706 /nfs/dbraw/zinc/91/57/06/1133915706.db2.gz ALZZMFCRRNTQTO-OAHLLOKOSA-N -1 3 345.414 3.746 20 0 EHADHM CCc1ccc(C(=O)Nc2cnc(Br)cc2C)c([O-])c1 ZINC000787092769 1133950613 /nfs/dbraw/zinc/95/06/13/1133950613.db2.gz JQTWAKYSPBYTCX-UHFFFAOYSA-N -1 3 335.201 3.673 20 0 EHADHM CCc1ccc(C(=O)N(OC)[C@@H]2CCCOc3ccccc32)c([O-])c1 ZINC000787126589 1133961263 /nfs/dbraw/zinc/96/12/63/1133961263.db2.gz MRNGEPRLKMOQDG-QGZVFWFLSA-N -1 3 341.407 3.872 20 0 EHADHM C[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)c1ccc(F)cc1 ZINC000787842554 1134046690 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Cc1cnc([N-]S(=O)(=O)CCc2cccc3ccccc32)c(C)c1 ZINC001187615711 1134356460 /nfs/dbraw/zinc/35/64/60/1134356460.db2.gz BWIWYRAWMAJGBR-UHFFFAOYSA-N -1 3 340.448 3.836 20 0 EHADHM Cc1c2ccccc2oc1[C@H](C)N/C=C1/C(=O)[N-]C(=O)c2ccccc21 ZINC000790096957 1134370365 /nfs/dbraw/zinc/37/03/65/1134370365.db2.gz MXFAUTZXLXHZHW-HNEYUBDGSA-N -1 3 346.386 3.703 20 0 EHADHM CC(C)CC1(C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CCC1 ZINC001188214800 1134442583 /nfs/dbraw/zinc/44/25/83/1134442583.db2.gz RUWFCYOJHBXBCK-UHFFFAOYSA-N -1 3 335.391 3.599 20 0 EHADHM CCOC(=O)c1cccc(NC(=O)[N-]c2cc(-c3ccco3)no2)c1 ZINC001188638596 1134492205 /nfs/dbraw/zinc/49/22/05/1134492205.db2.gz KWSFAMRAQLDJAH-UHFFFAOYSA-N -1 3 341.323 3.755 20 0 EHADHM Cc1cccc([O-])c1C(=O)NCc1ccccc1OC(F)(F)F ZINC001188638004 1134492371 /nfs/dbraw/zinc/49/23/71/1134492371.db2.gz FOPPKVQIHYLJFD-UHFFFAOYSA-N -1 3 325.286 3.529 20 0 EHADHM Cc1ccc(Cl)cc1NC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001188733669 1134502561 /nfs/dbraw/zinc/50/25/61/1134502561.db2.gz BJKNGRDPGCCUHH-UHFFFAOYSA-N -1 3 344.758 3.647 20 0 EHADHM C[C@H](CNC(=O)c1cc2sccc2c([O-])c1)Oc1cccc(F)c1 ZINC000791376452 1134537072 /nfs/dbraw/zinc/53/70/72/1134537072.db2.gz MVWGIWBPSVHXQR-LLVKDONJSA-N -1 3 345.395 3.943 20 0 EHADHM CCCCCc1ccc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001189204239 1134552048 /nfs/dbraw/zinc/55/20/48/1134552048.db2.gz DXWBUTOFGBWNNE-UHFFFAOYSA-N -1 3 349.438 3.529 20 0 EHADHM CCCCCc1ccc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001189204239 1134552050 /nfs/dbraw/zinc/55/20/50/1134552050.db2.gz DXWBUTOFGBWNNE-UHFFFAOYSA-N -1 3 349.438 3.529 20 0 EHADHM CC(C)(C)Sc1ccc(NC(=O)NCc2ncccc2[O-])cc1 ZINC000791808710 1134608297 /nfs/dbraw/zinc/60/82/97/1134608297.db2.gz AFJKMZHJAWDGLK-UHFFFAOYSA-N -1 3 331.441 4.000 20 0 EHADHM O=C(N[C@H]1CCCC(F)(F)C1)c1cccc(OC(F)(F)F)c1[O-] ZINC001189764790 1134623696 /nfs/dbraw/zinc/62/36/96/1134623696.db2.gz GEZHJPCPWCQXKV-QMMMGPOBSA-N -1 3 339.260 3.599 20 0 EHADHM COc1cc(Cl)cc([N-]S(=O)(=O)Cc2ccc(F)cc2F)c1 ZINC001189826777 1134631413 /nfs/dbraw/zinc/63/14/13/1134631413.db2.gz GOQYHIBVOUUPGM-UHFFFAOYSA-N -1 3 347.770 3.569 20 0 EHADHM COC(=O)Nc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000792068229 1134647460 /nfs/dbraw/zinc/64/74/60/1134647460.db2.gz NYZSPUYRWZEXRJ-UHFFFAOYSA-N -1 3 336.347 3.976 20 0 EHADHM C[C@@](O)(CCNC(=O)c1cc([O-])c2ccccc2c1)c1ccccc1 ZINC000792339600 1134683125 /nfs/dbraw/zinc/68/31/25/1134683125.db2.gz YBCWFYYIOJIDSO-OAQYLSRUSA-N -1 3 335.403 3.573 20 0 EHADHM CC[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1F)c1ccc(F)cc1 ZINC001190404446 1134692432 /nfs/dbraw/zinc/69/24/32/1134692432.db2.gz VJMLWPGPSWTXGD-ZDUSSCGKSA-N -1 3 347.333 3.673 20 0 EHADHM Cc1cc(C)c(C[N-]S(=O)(=O)c2cc(F)cc(F)c2F)c(C)c1 ZINC001190404683 1134692787 /nfs/dbraw/zinc/69/27/87/1134692787.db2.gz XWMVMMCRUMKLCT-UHFFFAOYSA-N -1 3 343.370 3.508 20 0 EHADHM COc1ccc(CNC(=O)c2ccc(=O)[n-]c2Cl)c2ccccc12 ZINC001190918121 1134770220 /nfs/dbraw/zinc/77/02/20/1134770220.db2.gz MXCKPALRTYOLPJ-UHFFFAOYSA-N -1 3 342.782 3.532 20 0 EHADHM O=C(NC1CCC(c2ccccc2)CC1)c1ccc(=O)[n-]c1Cl ZINC001190918560 1134770317 /nfs/dbraw/zinc/77/03/17/1134770317.db2.gz YKIFPNXZKVOJLK-UHFFFAOYSA-N -1 3 330.815 3.897 20 0 EHADHM C[C@H]([N-]S(=O)(=O)c1ccc2c(c1)oc1ccccc12)C(F)(F)F ZINC001191614029 1134896710 /nfs/dbraw/zinc/89/67/10/1134896710.db2.gz BUMYDRJJNRYTOP-VIFPVBQESA-N -1 3 343.326 3.815 20 0 EHADHM CN(C)[C@H]1CCOc2c(Nc3ccc(C(=O)[O-])cc3F)cccc21 ZINC001203293002 1135007306 /nfs/dbraw/zinc/00/73/06/1135007306.db2.gz ABKANZLFOUAHJD-INIZCTEOSA-N -1 3 330.359 3.653 20 0 EHADHM O=C([N-]c1nnc(-c2ccco2)o1)c1cccnc1Oc1ccccc1 ZINC001192691572 1135045782 /nfs/dbraw/zinc/04/57/82/1135045782.db2.gz SMDLLRZMTCHTAP-UHFFFAOYSA-N -1 3 348.318 3.769 20 0 EHADHM CCCCCOC(=O)c1ccc([N-]S(=O)(=O)CC2CCC2)cc1 ZINC001193523581 1135152346 /nfs/dbraw/zinc/15/23/46/1135152346.db2.gz IGGONKOKTZTQIS-UHFFFAOYSA-N -1 3 339.457 3.575 20 0 EHADHM Cc1cc(NC(=O)c2ccc([O-])cc2C(F)(F)F)c2cc[nH]c2n1 ZINC001193736313 1135174193 /nfs/dbraw/zinc/17/41/93/1135174193.db2.gz 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598923235 /nfs/dbraw/zinc/92/32/35/598923235.db2.gz SEGRNKSJIPOUQU-OAHLLOKOSA-N -1 3 328.416 3.516 20 0 EHADHM CC[C@H](CC1CCCC1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000736351548 598923236 /nfs/dbraw/zinc/92/32/36/598923236.db2.gz SEGRNKSJIPOUQU-OAHLLOKOSA-N -1 3 328.416 3.516 20 0 EHADHM Fc1ccc(-c2nnn[n-]2)cc1CSC1=Nc2ccccc2C1 ZINC000737652578 598939815 /nfs/dbraw/zinc/93/98/15/598939815.db2.gz VFGGBKBABWSOSH-UHFFFAOYSA-N -1 3 325.372 3.525 20 0 EHADHM Fc1ccc(-c2nn[n-]n2)cc1CSC1=Nc2ccccc2C1 ZINC000737652578 598939816 /nfs/dbraw/zinc/93/98/16/598939816.db2.gz VFGGBKBABWSOSH-UHFFFAOYSA-N -1 3 325.372 3.525 20 0 EHADHM Fc1cccc(Cl)c1[C@@H]1C[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737659186 598972127 /nfs/dbraw/zinc/97/21/27/598972127.db2.gz AAIJOTOGPKYKFF-RISCZKNCSA-N -1 3 329.766 3.627 20 0 EHADHM CC[C@@H](C)c1ccc(OC(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000736329770 599026553 /nfs/dbraw/zinc/02/65/53/599026553.db2.gz VCNNYTPPMCSEIA-SNVBAGLBSA-N -1 3 328.397 3.661 20 0 EHADHM 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/nfs/dbraw/zinc/11/18/13/599111813.db2.gz OCVWVMYNJOBZCS-UHFFFAOYSA-N -1 3 348.341 3.937 20 0 EHADHM Fc1cccc(Nc2cccc(Oc3ccccn3)c2)c1-c1nn[n-]n1 ZINC000822791943 599111816 /nfs/dbraw/zinc/11/18/16/599111816.db2.gz OCVWVMYNJOBZCS-UHFFFAOYSA-N -1 3 348.341 3.937 20 0 EHADHM Cc1ccc([C@H]2CCCN2c2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000737332039 599173416 /nfs/dbraw/zinc/17/34/16/599173416.db2.gz NRBPWWCHIXSCGJ-CQSZACIVSA-N -1 3 329.791 3.763 20 0 EHADHM Cc1ccc([C@H]2CCCN2c2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000737332039 599173418 /nfs/dbraw/zinc/17/34/18/599173418.db2.gz NRBPWWCHIXSCGJ-CQSZACIVSA-N -1 3 329.791 3.763 20 0 EHADHM CCCCCC[C@@H](CC)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821048349 599180675 /nfs/dbraw/zinc/18/06/75/599180675.db2.gz BEQVQVOIBGMQMC-CYBMUJFWSA-N -1 3 347.438 3.619 20 0 EHADHM CCCCCC[C@@H](CC)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821048349 599180677 /nfs/dbraw/zinc/18/06/77/599180677.db2.gz BEQVQVOIBGMQMC-CYBMUJFWSA-N -1 3 347.438 3.619 20 0 EHADHM O=C([O-])c1ccc(CNCc2cccc(OCC(F)(F)F)c2)cc1 ZINC000426695596 597136019 /nfs/dbraw/zinc/13/60/19/597136019.db2.gz NYDHGYFPLIMFOL-UHFFFAOYSA-N -1 3 339.313 3.616 20 0 EHADHM FC(F)Sc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822736817 607310910 /nfs/dbraw/zinc/31/09/10/607310910.db2.gz KPURQVMEYDYZHT-UHFFFAOYSA-N -1 3 339.396 3.855 20 0 EHADHM Cc1cnc(-c2cccc(NCc3cc(-c4nnn[n-]4)cs3)c2)o1 ZINC000822389365 607317197 /nfs/dbraw/zinc/31/71/97/607317197.db2.gz TXIZFHUKQQAPIU-UHFFFAOYSA-N -1 3 338.396 3.504 20 0 EHADHM Cc1cnc(-c2cccc(NCc3cc(-c4nn[n-]n4)cs3)c2)o1 ZINC000822389365 607317198 /nfs/dbraw/zinc/31/71/98/607317198.db2.gz TXIZFHUKQQAPIU-UHFFFAOYSA-N -1 3 338.396 3.504 20 0 EHADHM C[C@@H](SC[C@H]1CC1(Cl)Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192499 599289350 /nfs/dbraw/zinc/28/93/50/599289350.db2.gz ZQFGWJBGQKVSRS-LDYMZIIASA-N -1 3 329.256 3.855 20 0 EHADHM C[C@@H](SC[C@H]1CC1(Cl)Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192499 599289352 /nfs/dbraw/zinc/28/93/52/599289352.db2.gz ZQFGWJBGQKVSRS-LDYMZIIASA-N -1 3 329.256 3.855 20 0 EHADHM CC[C@H](C)C(=O)Nc1cccc(CNCc2cccc(C(=O)[O-])c2)c1 ZINC000263510119 598202748 /nfs/dbraw/zinc/20/27/48/598202748.db2.gz YNHMJEKJMQXEHP-AWEZNQCLSA-N -1 3 340.423 3.659 20 0 EHADHM CC(C)OCc1cccc(Nc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000735904017 598241811 /nfs/dbraw/zinc/24/18/11/598241811.db2.gz KDTTVTOFGNLAOB-UHFFFAOYSA-N -1 3 327.363 3.674 20 0 EHADHM CC(C)OCc1cccc(Nc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000735904017 598241812 /nfs/dbraw/zinc/24/18/12/598241812.db2.gz KDTTVTOFGNLAOB-UHFFFAOYSA-N -1 3 327.363 3.674 20 0 EHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCCCCCC1 ZINC000737627357 598274016 /nfs/dbraw/zinc/27/40/16/598274016.db2.gz QFHHPIGMWFUQQL-UHFFFAOYSA-N -1 3 325.338 3.656 20 0 EHADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)c1c(Cl)cccc1Cl ZINC000736025327 598298524 /nfs/dbraw/zinc/29/85/24/598298524.db2.gz GAHKCPDMBHZXGV-VIFPVBQESA-N -1 3 349.225 3.784 20 0 EHADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)c1c(Cl)cccc1Cl ZINC000736025327 598298527 /nfs/dbraw/zinc/29/85/27/598298527.db2.gz GAHKCPDMBHZXGV-VIFPVBQESA-N -1 3 349.225 3.784 20 0 EHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(C(F)F)cc1 ZINC000738152659 598326484 /nfs/dbraw/zinc/32/64/84/598326484.db2.gz WNZTXFTVHBTGLR-UHFFFAOYSA-N -1 3 349.728 3.710 20 0 EHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(C(F)F)cc1 ZINC000738152659 598326486 /nfs/dbraw/zinc/32/64/86/598326486.db2.gz WNZTXFTVHBTGLR-UHFFFAOYSA-N -1 3 349.728 3.710 20 0 EHADHM CC(C)(C)Sc1ccc(Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735643025 598367881 /nfs/dbraw/zinc/36/78/81/598367881.db2.gz KDGCXPZXVFFOQA-UHFFFAOYSA-N -1 3 326.429 3.896 20 0 EHADHM CC(C)(C)Sc1ccc(Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735643025 598367883 /nfs/dbraw/zinc/36/78/83/598367883.db2.gz KDGCXPZXVFFOQA-UHFFFAOYSA-N -1 3 326.429 3.896 20 0 EHADHM C[C@H](Nc1ccc(-c2nnn[n-]2)cn1)c1nc(-c2ccccc2)cs1 ZINC000736140699 598426930 /nfs/dbraw/zinc/42/69/30/598426930.db2.gz ZYINGNBMSWJYQB-NSHDSACASA-N -1 3 349.423 3.558 20 0 EHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cn1)c1nc(-c2ccccc2)cs1 ZINC000736140699 598426931 /nfs/dbraw/zinc/42/69/31/598426931.db2.gz ZYINGNBMSWJYQB-NSHDSACASA-N -1 3 349.423 3.558 20 0 EHADHM CCCC[C@@H]1CCC[C@@H]1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736442340 598513578 /nfs/dbraw/zinc/51/35/78/598513578.db2.gz WNZXIGZZLNYDRK-OCCSQVGLSA-N -1 3 344.488 3.512 20 0 EHADHM CCCC[C@@H]1CCC[C@@H]1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736442340 598513579 /nfs/dbraw/zinc/51/35/79/598513579.db2.gz WNZXIGZZLNYDRK-OCCSQVGLSA-N -1 3 344.488 3.512 20 0 EHADHM CCc1c(C)sc(NC(=O)c2ccc(C)cc2C)c1-c1nnn[n-]1 ZINC000736675802 598517564 /nfs/dbraw/zinc/51/75/64/598517564.db2.gz NWWKCUJXPJMQAU-UHFFFAOYSA-N -1 3 341.440 3.668 20 0 EHADHM CCc1c(C)sc(NC(=O)c2ccc(C)cc2C)c1-c1nn[n-]n1 ZINC000736675802 598517566 /nfs/dbraw/zinc/51/75/66/598517566.db2.gz NWWKCUJXPJMQAU-UHFFFAOYSA-N -1 3 341.440 3.668 20 0 EHADHM CCc1c(C)sc(NC(=O)c2cc(C)cc(C)c2)c1-c1nnn[n-]1 ZINC000736676361 598519224 /nfs/dbraw/zinc/51/92/24/598519224.db2.gz SNSJDBUGAQPKPV-UHFFFAOYSA-N -1 3 341.440 3.668 20 0 EHADHM CCc1c(C)sc(NC(=O)c2cc(C)cc(C)c2)c1-c1nn[n-]n1 ZINC000736676361 598519225 /nfs/dbraw/zinc/51/92/25/598519225.db2.gz SNSJDBUGAQPKPV-UHFFFAOYSA-N -1 3 341.440 3.668 20 0 EHADHM O=C(CCCCCc1cccs1)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000737825696 598568750 /nfs/dbraw/zinc/56/87/50/598568750.db2.gz NXOHBEZVYGPFFT-UHFFFAOYSA-N -1 3 342.424 3.637 20 0 EHADHM O=C(CCCCCc1cccs1)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737825696 598568751 /nfs/dbraw/zinc/56/87/51/598568751.db2.gz NXOHBEZVYGPFFT-UHFFFAOYSA-N -1 3 342.424 3.637 20 0 EHADHM Fc1ccc(CSc2nc3ccccc3s2)c(-c2nnn[n-]2)c1 ZINC000737648164 598643233 /nfs/dbraw/zinc/64/32/33/598643233.db2.gz GRIVNLJUUBZMPB-UHFFFAOYSA-N -1 3 343.412 3.908 20 0 EHADHM Fc1ccc(CSc2nc3ccccc3s2)c(-c2nn[n-]n2)c1 ZINC000737648164 598643235 /nfs/dbraw/zinc/64/32/35/598643235.db2.gz GRIVNLJUUBZMPB-UHFFFAOYSA-N -1 3 343.412 3.908 20 0 EHADHM Fc1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)cc1Cl ZINC000737650573 598796305 /nfs/dbraw/zinc/79/63/05/598796305.db2.gz SVZVSULHRFXSRE-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM Fc1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)cc1Cl ZINC000737650573 598796308 /nfs/dbraw/zinc/79/63/08/598796308.db2.gz SVZVSULHRFXSRE-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM CC(C)[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000735704042 598803678 /nfs/dbraw/zinc/80/36/78/598803678.db2.gz ZENHICACZLCAQY-NSHDSACASA-N -1 3 347.488 3.818 20 0 EHADHM CC(C)[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000735704042 598803679 /nfs/dbraw/zinc/80/36/79/598803679.db2.gz ZENHICACZLCAQY-NSHDSACASA-N -1 3 347.488 3.818 20 0 EHADHM CCC[C@H](C)C(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000736419243 598804373 /nfs/dbraw/zinc/80/43/73/598804373.db2.gz KNNWTZDJGLCJLH-HNNXBMFYSA-N -1 3 349.438 3.836 20 0 EHADHM CCC[C@H](C)C(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000736419243 598804379 /nfs/dbraw/zinc/80/43/79/598804379.db2.gz KNNWTZDJGLCJLH-HNNXBMFYSA-N -1 3 349.438 3.836 20 0 EHADHM c1ccc2c(c1)cccc2NCCNc1ccc(-c2nn[n-]n2)cc1 ZINC000738436473 599304508 /nfs/dbraw/zinc/30/45/08/599304508.db2.gz JGDOHHGOYANLQM-UHFFFAOYSA-N -1 3 330.395 3.544 20 0 EHADHM COc1ccccc1CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737152545 599326917 /nfs/dbraw/zinc/32/69/17/599326917.db2.gz LAGZURRDERTURN-GFCCVEGCSA-N -1 3 326.425 3.870 20 0 EHADHM COc1ccccc1CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737152545 599326919 /nfs/dbraw/zinc/32/69/19/599326919.db2.gz LAGZURRDERTURN-GFCCVEGCSA-N -1 3 326.425 3.870 20 0 EHADHM C[C@@H](Nc1ccc(OC(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820456110 599362610 /nfs/dbraw/zinc/36/26/10/599362610.db2.gz QAEKUGCRMPNHJM-SNVBAGLBSA-N -1 3 331.326 3.641 20 0 EHADHM C[C@@H](Nc1ccc(OC(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820456110 599362611 /nfs/dbraw/zinc/36/26/11/599362611.db2.gz QAEKUGCRMPNHJM-SNVBAGLBSA-N -1 3 331.326 3.641 20 0 EHADHM Cc1ccccc1[C@@H](C)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737423995 599399566 /nfs/dbraw/zinc/39/95/66/599399566.db2.gz SZWQRUXKFUTZPI-CYBMUJFWSA-N -1 3 330.395 3.896 20 0 EHADHM Cc1ccccc1[C@@H](C)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737423995 599399569 /nfs/dbraw/zinc/39/95/69/599399569.db2.gz SZWQRUXKFUTZPI-CYBMUJFWSA-N -1 3 330.395 3.896 20 0 EHADHM C[C@H]1C[C@@H]1c1ccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)o1 ZINC000736236862 599414094 /nfs/dbraw/zinc/41/40/94/599414094.db2.gz MAUWDMKHYLCWBD-FZMZJTMJSA-N -1 3 346.394 3.743 20 0 EHADHM C[C@H]1C[C@@H]1c1ccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)o1 ZINC000736236862 599414095 /nfs/dbraw/zinc/41/40/95/599414095.db2.gz MAUWDMKHYLCWBD-FZMZJTMJSA-N -1 3 346.394 3.743 20 0 EHADHM c1cc(-c2nnn[n-]2)oc1CNCc1ccc(Oc2ccccc2)cc1 ZINC000823792594 599424234 /nfs/dbraw/zinc/42/42/34/599424234.db2.gz YSSMPKKBIWZHIW-UHFFFAOYSA-N -1 3 347.378 3.542 20 0 EHADHM C[C@H](Nc1cccc(F)c1-c1nnn[n-]1)c1ccc(F)cc1Cl ZINC000736139655 599440462 /nfs/dbraw/zinc/44/04/62/599440462.db2.gz WJUHOLCUQUQPKY-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@H](Nc1cccc(F)c1-c1nn[n-]n1)c1ccc(F)cc1Cl ZINC000736139655 599440465 /nfs/dbraw/zinc/44/04/65/599440465.db2.gz WJUHOLCUQUQPKY-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM Fc1ccccc1C1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000737662732 599441676 /nfs/dbraw/zinc/44/16/76/599441676.db2.gz DKXSIHGSASEVCW-UHFFFAOYSA-N -1 3 341.365 3.529 20 0 EHADHM Fc1ccccc1C1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000737662732 599441679 /nfs/dbraw/zinc/44/16/79/599441679.db2.gz DKXSIHGSASEVCW-UHFFFAOYSA-N -1 3 341.365 3.529 20 0 EHADHM C[C@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1cccc(OC(F)F)c1 ZINC000820455687 599476573 /nfs/dbraw/zinc/47/65/73/599476573.db2.gz LMRQWAPBIVQMLV-VIFPVBQESA-N -1 3 349.316 3.780 20 0 EHADHM C[C@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1cccc(OC(F)F)c1 ZINC000820455687 599476575 /nfs/dbraw/zinc/47/65/75/599476575.db2.gz LMRQWAPBIVQMLV-VIFPVBQESA-N -1 3 349.316 3.780 20 0 EHADHM C[C@@H]1C[C@H]1c1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)o1 ZINC000820677705 599484573 /nfs/dbraw/zinc/48/45/73/599484573.db2.gz SAGZHAGNUSIIIS-BXKDBHETSA-N -1 3 329.791 3.849 20 0 EHADHM C[C@@H]1C[C@H]1c1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)o1 ZINC000820677705 599484574 /nfs/dbraw/zinc/48/45/74/599484574.db2.gz SAGZHAGNUSIIIS-BXKDBHETSA-N -1 3 329.791 3.849 20 0 EHADHM CC(C)(C)C[C@H]1CCCN1c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000819906631 599505116 /nfs/dbraw/zinc/50/51/16/599505116.db2.gz HZYHOTKYCTVNTL-CYBMUJFWSA-N -1 3 336.443 3.820 20 0 EHADHM CC(C)(C)C[C@H]1CCCN1c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000819906631 599505118 /nfs/dbraw/zinc/50/51/18/599505118.db2.gz HZYHOTKYCTVNTL-CYBMUJFWSA-N -1 3 336.443 3.820 20 0 EHADHM C[C@H](SCCOc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000736187461 599524012 /nfs/dbraw/zinc/52/40/12/599524012.db2.gz AXLBRUSGZVERAZ-NSHDSACASA-N -1 3 332.454 3.801 20 0 EHADHM Cc1ccccc1[C@H]1C[C@H](C)N(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000737419703 599526904 /nfs/dbraw/zinc/52/69/04/599526904.db2.gz APTFGMWSEDMWMC-KBPBESRZSA-N -1 3 337.402 3.697 20 0 EHADHM Cc1ccccc1[C@H]1C[C@H](C)N(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000737419703 599526907 /nfs/dbraw/zinc/52/69/07/599526907.db2.gz APTFGMWSEDMWMC-KBPBESRZSA-N -1 3 337.402 3.697 20 0 EHADHM C[C@@H](NC(=O)c1cc2ccccc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820392362 599537531 /nfs/dbraw/zinc/53/75/31/599537531.db2.gz UYLDMPCDXXIRDA-LLVKDONJSA-N -1 3 349.419 3.572 20 0 EHADHM C[C@@H](NC(=O)c1cc2ccccc2s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820392362 599537533 /nfs/dbraw/zinc/53/75/33/599537533.db2.gz UYLDMPCDXXIRDA-LLVKDONJSA-N -1 3 349.419 3.572 20 0 EHADHM Cc1nccc(Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000822471593 599547252 /nfs/dbraw/zinc/54/72/52/599547252.db2.gz DXTSPJZWRGCMNX-UHFFFAOYSA-N -1 3 345.366 3.501 20 0 EHADHM Cc1nccc(Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000822471593 599547255 /nfs/dbraw/zinc/54/72/55/599547255.db2.gz DXTSPJZWRGCMNX-UHFFFAOYSA-N -1 3 345.366 3.501 20 0 EHADHM O=C([O-])[C@@H](NCc1cccc(F)c1)c1ccccc1C(F)(F)F ZINC000739501305 599792214 /nfs/dbraw/zinc/79/22/14/599792214.db2.gz WGKUWOPSLUEUPC-AWEZNQCLSA-N -1 3 327.277 3.760 20 0 EHADHM O=C([O-])CCN(Cc1ccccc1)Cc1cc2c(c(Cl)c1)OCO2 ZINC000692497185 599812298 /nfs/dbraw/zinc/81/22/98/599812298.db2.gz XIEUPINHGVBQSC-UHFFFAOYSA-N -1 3 347.798 3.546 20 0 EHADHM O=C([O-])c1coc(CN2CCC(CCc3ccc(O)cc3)CC2)c1 ZINC000740268197 599846214 /nfs/dbraw/zinc/84/62/14/599846214.db2.gz DKTDBPRRCYWSCY-UHFFFAOYSA-N -1 3 329.396 3.528 20 0 EHADHM CN(CCOc1ccccc1Cl)Cc1ccc(F)cc1C(=O)[O-] ZINC000737449336 600082563 /nfs/dbraw/zinc/08/25/63/600082563.db2.gz SENZBNLZKXAIQR-UHFFFAOYSA-N -1 3 337.778 3.688 20 0 EHADHM Cc1ccc(OC2CCN([C@H](C)c3ccc(C(=O)[O-])o3)CC2)cc1 ZINC000579603272 600261829 /nfs/dbraw/zinc/26/18/29/600261829.db2.gz NOSLBAIYMVFXOY-CQSZACIVSA-N -1 3 329.396 3.891 20 0 EHADHM Cc1cc(CN2CCC[C@@H]2c2cccc(N(C)C)c2)oc1C(=O)[O-] ZINC000738383944 600564780 /nfs/dbraw/zinc/56/47/80/600564780.db2.gz ZLYCLDVYYVFADC-QGZVFWFLSA-N -1 3 328.412 3.689 20 0 EHADHM CC(C)N(CCOc1ccc(C(=O)[O-])cc1Cl)Cc1ccco1 ZINC000579364777 600820312 /nfs/dbraw/zinc/82/03/12/600820312.db2.gz XFGGMKTWCPOMEZ-UHFFFAOYSA-N -1 3 337.803 3.921 20 0 EHADHM Cc1ccc(-c2nc(CNC3(CC(=O)[O-])CCCCC3)co2)cc1 ZINC000832907892 601562103 /nfs/dbraw/zinc/56/21/03/601562103.db2.gz AWUUPOKYQZSHPM-UHFFFAOYSA-N -1 3 328.412 3.917 20 0 EHADHM CCN(Cc1ccc(C(=O)[O-])c(F)c1)Cc1ccc(OC)c(OC)c1 ZINC000829718291 601617049 /nfs/dbraw/zinc/61/70/49/601617049.db2.gz GWDKZYZRPIEUIW-UHFFFAOYSA-N -1 3 347.386 3.563 20 0 EHADHM COc1cc(OC)cc([C@H](N[C@@H](C)c2ccc(C)c(C)c2)C(=O)[O-])c1 ZINC000832049905 602169640 /nfs/dbraw/zinc/16/96/40/602169640.db2.gz KZCYKMGOUQUAFQ-LIRRHRJNSA-N -1 3 343.423 3.797 20 0 EHADHM CC(C)Oc1ccc([C@@H](C)NCc2ccc(NC(=O)[O-])nc2)cc1 ZINC000824411988 603537188 /nfs/dbraw/zinc/53/71/88/603537188.db2.gz RRPIYDHEQDLLIO-CYBMUJFWSA-N -1 3 329.400 3.810 20 0 EHADHM CCCN(Cc1ccc(C)cc1)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825322807 607656016 /nfs/dbraw/zinc/65/60/16/607656016.db2.gz JKZUSNNIGFSSRG-UHFFFAOYSA-N -1 3 349.438 3.536 20 0 EHADHM CCCN(Cc1ccc(C)cc1)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825322807 607656017 /nfs/dbraw/zinc/65/60/17/607656017.db2.gz JKZUSNNIGFSSRG-UHFFFAOYSA-N -1 3 349.438 3.536 20 0 EHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)c1ccc(C(C)(C)C)cc1 ZINC000826243798 607667966 /nfs/dbraw/zinc/66/79/66/607667966.db2.gz WENZQDQUTXPCHR-UHFFFAOYSA-N -1 3 349.438 3.749 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)c1ccc(C(C)(C)C)cc1 ZINC000826243798 607667967 /nfs/dbraw/zinc/66/79/67/607667967.db2.gz WENZQDQUTXPCHR-UHFFFAOYSA-N -1 3 349.438 3.749 20 0 EHADHM C[C@@H](NC(=O)[O-])c1ccc(CN[C@H]2CCc3c2cccc3F)cc1 ZINC000825398679 604304505 /nfs/dbraw/zinc/30/45/05/604304505.db2.gz ZOIWUEOVBYRLAL-XIKOKIGWSA-N -1 3 328.387 3.931 20 0 EHADHM CC(C)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c(C(C)C)c1 ZINC000824347878 607695584 /nfs/dbraw/zinc/69/55/84/607695584.db2.gz QMHLUOFAUXJLSJ-UHFFFAOYSA-N -1 3 338.415 3.694 20 0 EHADHM CC(C)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c(C(C)C)c1 ZINC000824347878 607695585 /nfs/dbraw/zinc/69/55/85/607695585.db2.gz QMHLUOFAUXJLSJ-UHFFFAOYSA-N -1 3 338.415 3.694 20 0 EHADHM C[C@@H](NCC1CCN(C(=O)[O-])CC1)c1nc(-c2ccccc2)cs1 ZINC000825489585 604509666 /nfs/dbraw/zinc/50/96/66/604509666.db2.gz CAOGXEOVMIXSRR-CYBMUJFWSA-N -1 3 345.468 3.851 20 0 EHADHM CC1(C)CO[C@@H](c2ccccc2)CN1Cc1ccccc1C(=O)[O-] ZINC000578756530 604626579 /nfs/dbraw/zinc/62/65/79/604626579.db2.gz XVHBONAATLJBDG-GOSISDBHSA-N -1 3 325.408 3.737 20 0 EHADHM COc1ccc(C)cc1CN[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833730543 604867927 /nfs/dbraw/zinc/86/79/27/604867927.db2.gz GPAMLSXUHUUPSV-GOSISDBHSA-N -1 3 327.424 3.945 20 0 EHADHM O=C([O-])[C@@H](NCc1ccc(Oc2ccccc2)cc1)c1cccnc1 ZINC000833169777 604999845 /nfs/dbraw/zinc/99/98/45/604999845.db2.gz KMFXSNAJPCVKAU-IBGZPJMESA-N -1 3 334.375 3.789 20 0 EHADHM Cc1ccc(-c2nc(CN[C@]3(C)CCCC[C@H]3C(=O)[O-])co2)cc1 ZINC000833746387 605062360 /nfs/dbraw/zinc/06/23/60/605062360.db2.gz CTCGCVBTKCCLEL-QFBILLFUSA-N -1 3 328.412 3.773 20 0 EHADHM Cc1ccccc1-c1cnc(CN[C@@]2(C)CCCC[C@@H]2C(=O)[O-])o1 ZINC000833753017 605070554 /nfs/dbraw/zinc/07/05/54/605070554.db2.gz JVIFJCJDQZDCMC-BEFAXECRSA-N -1 3 328.412 3.773 20 0 EHADHM C[C@@H](C[C@H](O)c1cccs1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824391749 607732757 /nfs/dbraw/zinc/73/27/57/607732757.db2.gz KDALYEFGYBUUAQ-ZANVPECISA-N -1 3 349.847 3.506 20 0 EHADHM C[C@@H](C[C@H](O)c1cccs1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824391749 607732758 /nfs/dbraw/zinc/73/27/58/607732758.db2.gz KDALYEFGYBUUAQ-ZANVPECISA-N -1 3 349.847 3.506 20 0 EHADHM CC[C@@H](NCc1ccc(C(=O)[O-])c(F)c1)c1ccc2c(c1)OCCO2 ZINC000833644568 605098029 /nfs/dbraw/zinc/09/80/29/605098029.db2.gz QUGONRGTJCPFNK-MRXNPFEDSA-N -1 3 345.370 3.536 20 0 EHADHM CC1=C(C(=O)[O-])C[C@H](CN[C@H](CC(F)(F)F)c2ccc(F)cc2)O1 ZINC000833580947 605386807 /nfs/dbraw/zinc/38/68/07/605386807.db2.gz SYAVHVQIJMQKII-TZMCWYRMSA-N -1 3 347.308 3.556 20 0 EHADHM O=C([O-])Nc1ccc(CN2CC[C@H](CSc3ccccc3)C2)cn1 ZINC000834259447 605615327 /nfs/dbraw/zinc/61/53/27/605615327.db2.gz ZPTAMMIQVHAIOJ-HNNXBMFYSA-N -1 3 343.452 3.786 20 0 EHADHM O=C([O-])N[C@@H]1C[C@H](N[C@@H]2CCCOc3ccccc32)c2ccccc21 ZINC000834160777 605798066 /nfs/dbraw/zinc/79/80/66/605798066.db2.gz WFQAXVLZUIRQAZ-FGTMMUONSA-N -1 3 338.407 3.944 20 0 EHADHM O=C([O-])N[C@@H]1C[C@@H](N[C@@H](CCCO)c2ccccc2)c2ccccc21 ZINC000834157339 605799915 /nfs/dbraw/zinc/79/99/15/605799915.db2.gz GXIQZLDDPDSLJA-IPMKNSEASA-N -1 3 340.423 3.544 20 0 EHADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)c1cccc(Cl)c1Cl ZINC000820456335 606086895 /nfs/dbraw/zinc/08/68/95/606086895.db2.gz SSMXXUOVTONRER-MRVPVSSYSA-N -1 3 335.198 3.742 20 0 EHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)c1cccc(Cl)c1Cl ZINC000820456335 606086898 /nfs/dbraw/zinc/08/68/98/606086898.db2.gz SSMXXUOVTONRER-MRVPVSSYSA-N -1 3 335.198 3.742 20 0 EHADHM Fc1cc(-c2nnn[n-]2)ccc1CN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000822741046 606099104 /nfs/dbraw/zinc/09/91/04/606099104.db2.gz QOBPTFIHLHPKGU-MRXNPFEDSA-N -1 3 343.793 3.606 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1CN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000822741046 606099105 /nfs/dbraw/zinc/09/91/05/606099105.db2.gz QOBPTFIHLHPKGU-MRXNPFEDSA-N -1 3 343.793 3.606 20 0 EHADHM CCc1c(C)sc(NC(=O)[C@H](C)C2CCCC2)c1-c1nnn[n-]1 ZINC000821466007 606126797 /nfs/dbraw/zinc/12/67/97/606126797.db2.gz UKJUSXBMWGLKCH-SECBINFHSA-N -1 3 333.461 3.564 20 0 EHADHM CCc1c(C)sc(NC(=O)[C@H](C)C2CCCC2)c1-c1nn[n-]n1 ZINC000821466007 606126798 /nfs/dbraw/zinc/12/67/98/606126798.db2.gz UKJUSXBMWGLKCH-SECBINFHSA-N -1 3 333.461 3.564 20 0 EHADHM C[C@H](c1ccc(Cl)cc1)[S@](=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820563004 606155522 /nfs/dbraw/zinc/15/55/22/606155522.db2.gz LCZCMRKPHXJQCM-QVQLBTGDSA-N -1 3 346.843 3.530 20 0 EHADHM C[C@H](c1ccc(Cl)cc1)[S@](=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820563004 606155524 /nfs/dbraw/zinc/15/55/24/606155524.db2.gz LCZCMRKPHXJQCM-QVQLBTGDSA-N -1 3 346.843 3.530 20 0 EHADHM Clc1ccc2oc(C=Cc3cc(-c4nnn[n-]4)cs3)nc2c1 ZINC000822581141 606303851 /nfs/dbraw/zinc/30/38/51/606303851.db2.gz BYDXOMNYISQPTG-DUXPYHPUSA-N -1 3 329.772 3.893 20 0 EHADHM Clc1ccc2oc(C=Cc3cc(-c4nn[n-]n4)cs3)nc2c1 ZINC000822581141 606303853 /nfs/dbraw/zinc/30/38/53/606303853.db2.gz BYDXOMNYISQPTG-DUXPYHPUSA-N -1 3 329.772 3.893 20 0 EHADHM Fc1ccc(N[C@H]2CCC[C@H](C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000822779308 606447332 /nfs/dbraw/zinc/44/73/32/606447332.db2.gz VHHYUDTWHKUIFX-WPRPVWTQSA-N -1 3 329.301 3.539 20 0 EHADHM Fc1ccc(N[C@H]2CCC[C@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000822779308 606447334 /nfs/dbraw/zinc/44/73/34/606447334.db2.gz VHHYUDTWHKUIFX-WPRPVWTQSA-N -1 3 329.301 3.539 20 0 EHADHM CSc1ccc(Cl)cc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821983367 606450831 /nfs/dbraw/zinc/45/08/31/606450831.db2.gz HHCOJAXOLNJCSB-UHFFFAOYSA-N -1 3 349.822 3.993 20 0 EHADHM CSc1ccc(Cl)cc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821983367 606450833 /nfs/dbraw/zinc/45/08/33/606450833.db2.gz HHCOJAXOLNJCSB-UHFFFAOYSA-N -1 3 349.822 3.993 20 0 EHADHM CC(C)(C)OCc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819951571 606473413 /nfs/dbraw/zinc/47/34/13/606473413.db2.gz TVNUKTJMCPBEEE-UHFFFAOYSA-N -1 3 337.427 3.794 20 0 EHADHM CC(C)(C)OCc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819951571 606473414 /nfs/dbraw/zinc/47/34/14/606473414.db2.gz TVNUKTJMCPBEEE-UHFFFAOYSA-N -1 3 337.427 3.794 20 0 EHADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSc1cccs1 ZINC000822732919 606591673 /nfs/dbraw/zinc/59/16/73/606591673.db2.gz ORTKNGKRLAVGOR-UHFFFAOYSA-N -1 3 340.380 3.822 20 0 EHADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSc1cccs1 ZINC000822732919 606591674 /nfs/dbraw/zinc/59/16/74/606591674.db2.gz ORTKNGKRLAVGOR-UHFFFAOYSA-N -1 3 340.380 3.822 20 0 EHADHM Cc1ccc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c(F)c1 ZINC000822254510 606597196 /nfs/dbraw/zinc/59/71/96/606597196.db2.gz LWAQGZVBUOEWGW-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM Cc1ccc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c(F)c1 ZINC000822254510 606597198 /nfs/dbraw/zinc/59/71/98/606597198.db2.gz LWAQGZVBUOEWGW-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM FC(F)Sc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822736371 606606882 /nfs/dbraw/zinc/60/68/82/606606882.db2.gz DOYMZKVAXAWIIH-UHFFFAOYSA-N -1 3 333.367 3.794 20 0 EHADHM FC(F)Sc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822736371 606606884 /nfs/dbraw/zinc/60/68/84/606606884.db2.gz DOYMZKVAXAWIIH-UHFFFAOYSA-N -1 3 333.367 3.794 20 0 EHADHM CC(C)(C)[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(F)cc1F ZINC000819898875 606948625 /nfs/dbraw/zinc/94/86/25/606948625.db2.gz JVQHGRLMAPGVTN-HNNXBMFYSA-N -1 3 344.369 3.739 20 0 EHADHM CC(C)(C)[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(F)cc1F ZINC000819898875 606948626 /nfs/dbraw/zinc/94/86/26/606948626.db2.gz JVQHGRLMAPGVTN-HNNXBMFYSA-N -1 3 344.369 3.739 20 0 EHADHM CC(C)(C)[C@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(F)cc1F ZINC000819898876 606948693 /nfs/dbraw/zinc/94/86/93/606948693.db2.gz JVQHGRLMAPGVTN-OAHLLOKOSA-N -1 3 344.369 3.739 20 0 EHADHM CC(C)(C)[C@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(F)cc1F ZINC000819898876 606948694 /nfs/dbraw/zinc/94/86/94/606948694.db2.gz JVQHGRLMAPGVTN-OAHLLOKOSA-N -1 3 344.369 3.739 20 0 EHADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(Cl)c1 ZINC000820556677 607009834 /nfs/dbraw/zinc/00/98/34/607009834.db2.gz VHLVVKLJWLRGRG-SNVBAGLBSA-N -1 3 344.827 3.884 20 0 EHADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(Cl)c1 ZINC000820556677 607009836 /nfs/dbraw/zinc/00/98/36/607009836.db2.gz VHLVVKLJWLRGRG-SNVBAGLBSA-N -1 3 344.827 3.884 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C1CC1)C1CCCCC1 ZINC000822217299 607021838 /nfs/dbraw/zinc/02/18/38/607021838.db2.gz ALDSCOWJXVNSQN-UHFFFAOYSA-N -1 3 340.431 3.504 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C1CC1)C1CCCCC1 ZINC000822217299 607021839 /nfs/dbraw/zinc/02/18/39/607021839.db2.gz ALDSCOWJXVNSQN-UHFFFAOYSA-N -1 3 340.431 3.504 20 0 EHADHM CCc1c(C)sc(NC(=O)C[C@H]2CC[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000821465607 607088937 /nfs/dbraw/zinc/08/89/37/607088937.db2.gz KJJCRQUKDPZZHP-KOLCDFICSA-N -1 3 333.461 3.564 20 0 EHADHM CCc1c(C)sc(NC(=O)C[C@H]2CC[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000821465607 607088938 /nfs/dbraw/zinc/08/89/38/607088938.db2.gz KJJCRQUKDPZZHP-KOLCDFICSA-N -1 3 333.461 3.564 20 0 EHADHM Cc1cc(Br)ccc1NCc1ccccc1-c1nnn[n-]1 ZINC000822160933 607095435 /nfs/dbraw/zinc/09/54/35/607095435.db2.gz MEQLPMNHSVFLGC-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM Cc1cc(Br)ccc1NCc1ccccc1-c1nn[n-]n1 ZINC000822160933 607095436 /nfs/dbraw/zinc/09/54/36/607095436.db2.gz MEQLPMNHSVFLGC-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM CC(C)C[C@@H]1CCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820069317 607202252 /nfs/dbraw/zinc/20/22/52/607202252.db2.gz ZXRRTHNFADCLMU-LBPRGKRZSA-N -1 3 348.838 3.563 20 0 EHADHM CC(C)C[C@@H]1CCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820069317 607202253 /nfs/dbraw/zinc/20/22/53/607202253.db2.gz ZXRRTHNFADCLMU-LBPRGKRZSA-N -1 3 348.838 3.563 20 0 EHADHM Cc1cc(Cl)ccc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822202113 607242983 /nfs/dbraw/zinc/24/29/83/607242983.db2.gz LQCUDELZWBWLDF-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1cc(Cl)ccc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822202113 607242984 /nfs/dbraw/zinc/24/29/84/607242984.db2.gz LQCUDELZWBWLDF-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1ccc(NC(=S)Nc2cccc(-c3nnn[n-]3)c2C)c(C)c1 ZINC000822255073 607252070 /nfs/dbraw/zinc/25/20/70/607252070.db2.gz UXTWWZQBXCNEAS-UHFFFAOYSA-N -1 3 338.440 3.601 20 0 EHADHM Cc1ccc(NC(=S)Nc2cccc(-c3nn[n-]n3)c2C)c(C)c1 ZINC000822255073 607252071 /nfs/dbraw/zinc/25/20/71/607252071.db2.gz UXTWWZQBXCNEAS-UHFFFAOYSA-N -1 3 338.440 3.601 20 0 EHADHM Fc1ccc(-c2nnn[n-]2)c(CSCCCCC(F)(F)F)c1 ZINC000826373160 607786183 /nfs/dbraw/zinc/78/61/83/607786183.db2.gz BSDMLCSVIHNBIT-UHFFFAOYSA-N -1 3 334.342 3.972 20 0 EHADHM Fc1ccc(-c2nn[n-]n2)c(CSCCCCC(F)(F)F)c1 ZINC000826373160 607786184 /nfs/dbraw/zinc/78/61/84/607786184.db2.gz BSDMLCSVIHNBIT-UHFFFAOYSA-N -1 3 334.342 3.972 20 0 EHADHM Clc1cc(-c2nnn[n-]2)ccc1SCc1nc2ccccc2[nH]1 ZINC000826350681 607844918 /nfs/dbraw/zinc/84/49/18/607844918.db2.gz GZTMCAJHRXBJDQ-UHFFFAOYSA-N -1 3 342.815 3.689 20 0 EHADHM Clc1cc(-c2nn[n-]n2)ccc1SCc1nc2ccccc2[nH]1 ZINC000826350681 607844919 /nfs/dbraw/zinc/84/49/19/607844919.db2.gz GZTMCAJHRXBJDQ-UHFFFAOYSA-N -1 3 342.815 3.689 20 0 EHADHM Clc1cc(-c2nnn[n-]2)ccc1SCc1cccnc1Cl ZINC000826350715 607844928 /nfs/dbraw/zinc/84/49/28/607844928.db2.gz IFNZMYUVBMTBHO-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM Clc1cc(-c2nn[n-]n2)ccc1SCc1cccnc1Cl ZINC000826350715 607844929 /nfs/dbraw/zinc/84/49/29/607844929.db2.gz IFNZMYUVBMTBHO-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM CCC(CC)[C@@H](C)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825094769 608071598 /nfs/dbraw/zinc/07/15/98/608071598.db2.gz BGNSBIILDCJJDG-SNVBAGLBSA-N -1 3 335.839 3.555 20 0 EHADHM CCC(CC)[C@@H](C)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825094769 608071599 /nfs/dbraw/zinc/07/15/99/608071599.db2.gz BGNSBIILDCJJDG-SNVBAGLBSA-N -1 3 335.839 3.555 20 0 EHADHM O=C(Nc1ccc(C2CC2)cc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826453499 608262740 /nfs/dbraw/zinc/26/27/40/608262740.db2.gz MVKKGVNCJJOAIY-UHFFFAOYSA-N -1 3 338.346 3.527 20 0 EHADHM O=C(Nc1ccc(C2CC2)cc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826453499 608262743 /nfs/dbraw/zinc/26/27/43/608262743.db2.gz MVKKGVNCJJOAIY-UHFFFAOYSA-N -1 3 338.346 3.527 20 0 EHADHM Cc1nc(C)c(CSCc2cccc(-c3nnn[n-]3)c2F)s1 ZINC000826324076 608404604 /nfs/dbraw/zinc/40/46/04/608404604.db2.gz CRKUCVDOMRMSEI-UHFFFAOYSA-N -1 3 335.433 3.513 20 0 EHADHM Cc1nc(C)c(CSCc2cccc(-c3nn[n-]n3)c2F)s1 ZINC000826324076 608404606 /nfs/dbraw/zinc/40/46/06/608404606.db2.gz CRKUCVDOMRMSEI-UHFFFAOYSA-N -1 3 335.433 3.513 20 0 EHADHM C[C@H](c1ccccc1Cl)N(C)Cc1ccc(-c2nnn[n-]2)s1 ZINC000824773184 608523408 /nfs/dbraw/zinc/52/34/08/608523408.db2.gz ZFPZOFKMHPUCNL-SNVBAGLBSA-N -1 3 333.848 3.775 20 0 EHADHM C[C@H](c1ccccc1Cl)N(C)Cc1ccc(-c2nn[n-]n2)s1 ZINC000824773184 608523409 /nfs/dbraw/zinc/52/34/09/608523409.db2.gz ZFPZOFKMHPUCNL-SNVBAGLBSA-N -1 3 333.848 3.775 20 0 EHADHM CC(C)(C)Oc1cccc(CSc2ccccc2-c2nnn[n-]2)n1 ZINC000824124499 608543387 /nfs/dbraw/zinc/54/33/87/608543387.db2.gz UNKOEFXKFYJZAR-UHFFFAOYSA-N -1 3 341.440 3.731 20 0 EHADHM CC(C)(C)Oc1cccc(CSc2ccccc2-c2nn[n-]n2)n1 ZINC000824124499 608543388 /nfs/dbraw/zinc/54/33/88/608543388.db2.gz UNKOEFXKFYJZAR-UHFFFAOYSA-N -1 3 341.440 3.731 20 0 EHADHM Cc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826289070 608573553 /nfs/dbraw/zinc/57/35/53/608573553.db2.gz JKAPXDHLYVYREV-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826289070 608573554 /nfs/dbraw/zinc/57/35/54/608573554.db2.gz JKAPXDHLYVYREV-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM C[C@@H](Nc1ccc(N2CCCC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824655512 609162291 /nfs/dbraw/zinc/16/22/91/609162291.db2.gz CYVVQWKQYKXQHO-CQSZACIVSA-N -1 3 334.427 3.640 20 0 EHADHM C[C@@H](Nc1ccc(N2CCCC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824655512 609162293 /nfs/dbraw/zinc/16/22/93/609162293.db2.gz CYVVQWKQYKXQHO-CQSZACIVSA-N -1 3 334.427 3.640 20 0 EHADHM FCc1ccc(CSCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826370344 609185831 /nfs/dbraw/zinc/18/58/31/609185831.db2.gz ODNJPYQQSHEJEZ-UHFFFAOYSA-N -1 3 332.379 3.909 20 0 EHADHM FCc1ccc(CSCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826370344 609185832 /nfs/dbraw/zinc/18/58/32/609185832.db2.gz ODNJPYQQSHEJEZ-UHFFFAOYSA-N -1 3 332.379 3.909 20 0 EHADHM CCc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1F ZINC000825716775 609249110 /nfs/dbraw/zinc/24/91/10/609249110.db2.gz AYBXMHYYAXCIHC-JTQLQIEISA-N -1 3 329.354 3.880 20 0 EHADHM CCc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1F ZINC000825716775 609249112 /nfs/dbraw/zinc/24/91/12/609249112.db2.gz AYBXMHYYAXCIHC-JTQLQIEISA-N -1 3 329.354 3.880 20 0 EHADHM c1cc2c(cc1N[C@@H]1CCCc3cc(-c4nnn[n-]4)ccc31)CCCO2 ZINC000826518511 609278671 /nfs/dbraw/zinc/27/86/71/609278671.db2.gz PXPLVRKPZOCCFV-GOSISDBHSA-N -1 3 347.422 3.681 20 0 EHADHM c1cc2c(cc1N[C@@H]1CCCc3cc(-c4nn[n-]n4)ccc31)CCCO2 ZINC000826518511 609278673 /nfs/dbraw/zinc/27/86/73/609278673.db2.gz PXPLVRKPZOCCFV-GOSISDBHSA-N -1 3 347.422 3.681 20 0 EHADHM COc1ccc(Cl)c(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826208685 609349469 /nfs/dbraw/zinc/34/94/69/609349469.db2.gz WAQRXSCLKPMHIT-VIFPVBQESA-N -1 3 347.781 3.841 20 0 EHADHM COc1ccc(Cl)c(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826208685 609349471 /nfs/dbraw/zinc/34/94/71/609349471.db2.gz WAQRXSCLKPMHIT-VIFPVBQESA-N -1 3 347.781 3.841 20 0 EHADHM c1cc(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)co1 ZINC000826516590 609485372 /nfs/dbraw/zinc/48/53/72/609485372.db2.gz QSQXLUWOPDJKHQ-UHFFFAOYSA-N -1 3 347.378 3.651 20 0 EHADHM c1cc(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)co1 ZINC000826516590 609485374 /nfs/dbraw/zinc/48/53/74/609485374.db2.gz QSQXLUWOPDJKHQ-UHFFFAOYSA-N -1 3 347.378 3.651 20 0 EHADHM CC(C)Oc1ccc(NCc2ccc(Cl)o2)cc1-c1nnn[n-]1 ZINC000824329045 609490148 /nfs/dbraw/zinc/49/01/48/609490148.db2.gz FYYJEDUHFWZVSI-UHFFFAOYSA-N -1 3 333.779 3.512 20 0 EHADHM CC(C)Oc1ccc(NCc2ccc(Cl)o2)cc1-c1nn[n-]n1 ZINC000824329045 609490149 /nfs/dbraw/zinc/49/01/49/609490149.db2.gz FYYJEDUHFWZVSI-UHFFFAOYSA-N -1 3 333.779 3.512 20 0 EHADHM Fc1cccc(Cc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)c1 ZINC000826377612 609505478 /nfs/dbraw/zinc/50/54/78/609505478.db2.gz YVMAXQGMYLFIOB-UHFFFAOYSA-N -1 3 337.383 3.720 20 0 EHADHM Fc1cccc(Cc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)c1 ZINC000826377612 609505480 /nfs/dbraw/zinc/50/54/80/609505480.db2.gz YVMAXQGMYLFIOB-UHFFFAOYSA-N -1 3 337.383 3.720 20 0 EHADHM Cc1c(Cl)cnc(NCc2ccc([C@H]3C[C@H]3C)o2)c1-c1nnn[n-]1 ZINC000826240479 609537583 /nfs/dbraw/zinc/53/75/83/609537583.db2.gz VKBHHWUNPBSYQH-KCJUWKMLSA-N -1 3 344.806 3.552 20 0 EHADHM Cc1c(Cl)cnc(NCc2ccc([C@H]3C[C@H]3C)o2)c1-c1nn[n-]n1 ZINC000826240479 609537584 /nfs/dbraw/zinc/53/75/84/609537584.db2.gz VKBHHWUNPBSYQH-KCJUWKMLSA-N -1 3 344.806 3.552 20 0 EHADHM Cc1ccc2c(c1)[C@H](Nc1ncc(-c3nnn[n-]3)cc1Cl)[C@@H](C)C2 ZINC000826294652 609570860 /nfs/dbraw/zinc/57/08/60/609570860.db2.gz YGQFZVDSFJJEAM-ZUZCIYMTSA-N -1 3 340.818 3.569 20 0 EHADHM Cc1ccc2c(c1)[C@H](Nc1ncc(-c3nn[n-]n3)cc1Cl)[C@@H](C)C2 ZINC000826294652 609570861 /nfs/dbraw/zinc/57/08/61/609570861.db2.gz YGQFZVDSFJJEAM-ZUZCIYMTSA-N -1 3 340.818 3.569 20 0 EHADHM C[C@H]1C[C@H](C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C[C@@H](C)C1 ZINC000824875925 609594633 /nfs/dbraw/zinc/59/46/33/609594633.db2.gz POBLCUIACGEZCY-IAZYJMLFSA-N -1 3 333.823 3.531 20 0 EHADHM C[C@H]1C[C@H](C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C[C@@H](C)C1 ZINC000824875925 609594635 /nfs/dbraw/zinc/59/46/35/609594635.db2.gz POBLCUIACGEZCY-IAZYJMLFSA-N -1 3 333.823 3.531 20 0 EHADHM c1ccc2nc(N3CCC4(CCCC4)CC3)c(-c3nnn[n-]3)cc2c1 ZINC000823802649 946484246 /nfs/dbraw/zinc/48/42/46/946484246.db2.gz WMBGQDUEXJGQOF-UHFFFAOYSA-N -1 3 334.427 3.576 20 0 EHADHM c1ccc2nc(N3CCC4(CCCC4)CC3)c(-c3nn[n-]n3)cc2c1 ZINC000823802649 946484252 /nfs/dbraw/zinc/48/42/52/946484252.db2.gz WMBGQDUEXJGQOF-UHFFFAOYSA-N -1 3 334.427 3.576 20 0 EHADHM CC(C)OCCCCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000824315074 946654856 /nfs/dbraw/zinc/65/48/56/946654856.db2.gz KANDTYMQOZOLHC-UHFFFAOYSA-N -1 3 343.353 3.503 20 0 EHADHM C[C@H](N[C@@H](CC(C)(C)C)C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000824533129 946773829 /nfs/dbraw/zinc/77/38/29/946773829.db2.gz ZDYMAASXQYRZEU-GWCFXTLKSA-N -1 3 341.381 3.884 20 0 EHADHM C[C@H](N[C@@H](CC(C)(C)C)C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824533129 946773836 /nfs/dbraw/zinc/77/38/36/946773836.db2.gz ZDYMAASXQYRZEU-GWCFXTLKSA-N -1 3 341.381 3.884 20 0 EHADHM C[C@H]1CCC(=CC(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)C1 ZINC000824899101 946981276 /nfs/dbraw/zinc/98/12/76/946981276.db2.gz IAMRFYXOEBUKGQ-NGPGYTDTSA-N -1 3 345.472 3.911 20 0 EHADHM C[C@H]1CCC(=CC(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)C1 ZINC000824899101 946981288 /nfs/dbraw/zinc/98/12/88/946981288.db2.gz IAMRFYXOEBUKGQ-NGPGYTDTSA-N -1 3 345.472 3.911 20 0 EHADHM C[C@H]1CC/C(=C\C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)C1 ZINC000824899101 946981297 /nfs/dbraw/zinc/98/12/97/946981297.db2.gz IAMRFYXOEBUKGQ-NGPGYTDTSA-N -1 3 345.472 3.911 20 0 EHADHM CC[C@@H](C)n1nc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825082172 947070946 /nfs/dbraw/zinc/07/09/46/947070946.db2.gz QXYNBIMIQDZNSN-YPMHNXCESA-N -1 3 325.420 3.516 20 0 EHADHM CC[C@@H](C)n1nc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825082172 947070956 /nfs/dbraw/zinc/07/09/56/947070956.db2.gz QXYNBIMIQDZNSN-YPMHNXCESA-N -1 3 325.420 3.516 20 0 EHADHM CCCCC[C@H](CC)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825266270 947135825 /nfs/dbraw/zinc/13/58/25/947135825.db2.gz DJFKGCDWIACQAG-KGLIPLIRSA-N -1 3 329.448 3.650 20 0 EHADHM CCCCC[C@H](CC)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825266270 947135827 /nfs/dbraw/zinc/13/58/27/947135827.db2.gz DJFKGCDWIACQAG-KGLIPLIRSA-N -1 3 329.448 3.650 20 0 EHADHM C/C(=C/C1CCC(C)CC1)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC001573366889 947750548 /nfs/dbraw/zinc/75/05/48/947750548.db2.gz UVHCWHLYVOVPJD-OWBHPGMISA-N -1 3 339.443 3.602 20 0 EHADHM C/C(=C/C1CCC(C)CC1)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC001573366889 947750561 /nfs/dbraw/zinc/75/05/61/947750561.db2.gz UVHCWHLYVOVPJD-OWBHPGMISA-N -1 3 339.443 3.602 20 0 EHADHM CC(C)c1ccc(NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC001574416773 948759812 /nfs/dbraw/zinc/75/98/12/948759812.db2.gz HKKCBLOITSIATN-UHFFFAOYSA-N -1 3 340.362 3.773 20 0 EHADHM CC(C)c1ccc(NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC001574416773 948759825 /nfs/dbraw/zinc/75/98/25/948759825.db2.gz HKKCBLOITSIATN-UHFFFAOYSA-N -1 3 340.362 3.773 20 0 EHADHM CC(C)c1ccc(OCCNc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC001574418600 948779027 /nfs/dbraw/zinc/77/90/27/948779027.db2.gz YXEOCPOPCOWVPV-UHFFFAOYSA-N -1 3 341.390 3.620 20 0 EHADHM CC(C)c1ccc(OCCNc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC001574418600 948779039 /nfs/dbraw/zinc/77/90/39/948779039.db2.gz YXEOCPOPCOWVPV-UHFFFAOYSA-N -1 3 341.390 3.620 20 0 EHADHM C[C@H](CCc1ccc(F)cc1)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001574693313 949053403 /nfs/dbraw/zinc/05/34/03/949053403.db2.gz GBUNYXBAGBFMJF-LLVKDONJSA-N -1 3 329.354 3.578 20 0 EHADHM C[C@H](CCc1ccc(F)cc1)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001574693313 949053421 /nfs/dbraw/zinc/05/34/21/949053421.db2.gz GBUNYXBAGBFMJF-LLVKDONJSA-N -1 3 329.354 3.578 20 0 EHADHM C[C@H](c1ccccc1Br)N1CCC[C@H](CC(=O)[O-])C1 ZINC000086757134 949061951 /nfs/dbraw/zinc/06/19/51/949061951.db2.gz SNJSIAPCMKXUQS-VXGBXAGGSA-N -1 3 326.234 3.697 20 0 EHADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N1CC2(CCC2)c2ccccc21 ZINC001575513890 949156821 /nfs/dbraw/zinc/15/68/21/949156821.db2.gz UGVQCSBSPCOOGB-CQSZACIVSA-N -1 3 331.423 3.870 20 0 EHADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N1CC2(CCC2)c2ccccc21 ZINC001575513890 949156832 /nfs/dbraw/zinc/15/68/32/949156832.db2.gz UGVQCSBSPCOOGB-CQSZACIVSA-N -1 3 331.423 3.870 20 0 EHADHM CC(C)(C)Oc1cccc(CSc2ccc(-c3nnn[n-]3)cn2)c1 ZINC001573876591 950680536 /nfs/dbraw/zinc/68/05/36/950680536.db2.gz RSVPDQNINXKVSJ-UHFFFAOYSA-N -1 3 341.440 3.731 20 0 EHADHM CC(C)(C)Oc1cccc(CSc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001573876591 950680550 /nfs/dbraw/zinc/68/05/50/950680550.db2.gz RSVPDQNINXKVSJ-UHFFFAOYSA-N -1 3 341.440 3.731 20 0 EHADHM C[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1)c1ccccc1 ZINC001574520056 950712941 /nfs/dbraw/zinc/71/29/41/950712941.db2.gz KWACGTJIQDJLRD-CYBMUJFWSA-N -1 3 347.422 3.876 20 0 EHADHM C[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1)c1ccccc1 ZINC001574520056 950712956 /nfs/dbraw/zinc/71/29/56/950712956.db2.gz KWACGTJIQDJLRD-CYBMUJFWSA-N -1 3 347.422 3.876 20 0 EHADHM CC(C)(C)c1cccc(OC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC001573884114 950786230 /nfs/dbraw/zinc/78/62/30/950786230.db2.gz IPJPPYNECQUTDG-QXMHVHEDSA-N -1 3 348.406 3.783 20 0 EHADHM CC(C)(C)c1cccc(OC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC001573884114 950786249 /nfs/dbraw/zinc/78/62/49/950786249.db2.gz IPJPPYNECQUTDG-QXMHVHEDSA-N -1 3 348.406 3.783 20 0 EHADHM C[C@H](Cc1coc2ccccc12)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001575205966 952526653 /nfs/dbraw/zinc/52/66/53/952526653.db2.gz GBFOQTZKFJJPRP-LLVKDONJSA-N -1 3 337.358 3.795 20 0 EHADHM C[C@H](Cc1coc2ccccc12)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001575205966 952526660 /nfs/dbraw/zinc/52/66/60/952526660.db2.gz GBFOQTZKFJJPRP-LLVKDONJSA-N -1 3 337.358 3.795 20 0 EHADHM 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CCCCOc1ccc(C(=O)NC[C@]2(C)CCO[C@H]2C2CC2)c([O-])c1 ZINC000436989005 1021444130 /nfs/dbraw/zinc/44/41/30/1021444130.db2.gz LFLMFXZELYDNHR-ICSRJNTNSA-N -1 3 347.455 3.506 20 0 EHADHM COc1cccc(-c2nc(-c3ccc(OC(F)F)cc3)no2)c1[O-] ZINC000436994723 1021451239 /nfs/dbraw/zinc/45/12/39/1021451239.db2.gz AJMDTYLMXHQDEB-UHFFFAOYSA-N -1 3 334.278 3.719 20 0 EHADHM CC[C@H](C)Oc1ccc(-c2noc(-c3ccc(C(=O)OC)[n-]3)n2)cc1 ZINC000426392993 1021463091 /nfs/dbraw/zinc/46/30/91/1021463091.db2.gz ZWSZHGSTXRXGHR-NSHDSACASA-N -1 3 341.367 3.696 20 0 EHADHM Clc1ccccc1C[C@H](N=c1ncnc2[nH][n-]cc1-2)c1ccccc1 ZINC000519874385 1021730177 /nfs/dbraw/zinc/73/01/77/1021730177.db2.gz IVRFZAHXEXNHQQ-KRWDZBQOSA-N -1 3 349.825 3.776 20 0 EHADHM O=C([O-])c1ccccc1CCN(Cc1ccc(F)cc1F)C1CC1 ZINC000516932614 1021865996 /nfs/dbraw/zinc/86/59/96/1021865996.db2.gz WFNMMXSUAAUEGI-UHFFFAOYSA-N -1 3 331.362 3.870 20 0 EHADHM Cc1nc(C)c(CCC(=O)Nc2ccccc2CCC(C)C)c(=O)[n-]1 ZINC000520079980 1021915528 /nfs/dbraw/zinc/91/55/28/1021915528.db2.gz HHVGCHVQCWPQCJ-UHFFFAOYSA-N -1 3 341.455 3.959 20 0 EHADHM O=C([O-])c1cccc(Cl)c1CN(C[C@@H]1CCCO1)C1CCCC1 ZINC000579133047 1021931033 /nfs/dbraw/zinc/93/10/33/1021931033.db2.gz UEHCLCMJDLVZRC-AWEZNQCLSA-N -1 3 337.847 3.962 20 0 EHADHM C[C@@H](N=c1ncnc2[nH][n-]cc1-2)c1ccccc1Oc1ccccc1 ZINC000506769257 1021979568 /nfs/dbraw/zinc/97/95/68/1021979568.db2.gz VXHFFJFJFSKVEI-CYBMUJFWSA-N -1 3 331.379 3.692 20 0 EHADHM C[C@H]1CC[C@](CNCc2csc(-c3ccccn3)n2)(CC(=O)[O-])C1 ZINC000426632132 1022094860 /nfs/dbraw/zinc/09/48/60/1022094860.db2.gz SMKIOFUOTQVLDQ-SCLBCKFNSA-N -1 3 345.468 3.576 20 0 EHADHM O=C(Nc1ccc(Br)cc1[O-])c1csc(C2CC2)n1 ZINC000520327880 1022141341 /nfs/dbraw/zinc/14/13/41/1022141341.db2.gz KCFZPBFKOZQHKF-UHFFFAOYSA-N -1 3 339.214 3.741 20 0 EHADHM Cc1nnc([C@H](C)Sc2nnc([N-]c3ccccc3F)s2)o1 ZINC000142028128 1033038261 /nfs/dbraw/zinc/03/82/61/1033038261.db2.gz ZKDVAFJEJCVGLO-ZETCQYMHSA-N -1 3 337.405 3.966 20 0 EHADHM 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1130711493 /nfs/dbraw/zinc/71/14/93/1130711493.db2.gz HKGBNORPPSHGFF-UHFFFAOYSA-N -1 3 327.405 3.509 20 0 EHADHM CCCCN(C)c1ccc(NC(=O)c2cccc(OC)c2[O-])cc1 ZINC000730507438 1130715778 /nfs/dbraw/zinc/71/57/78/1130715778.db2.gz GOZKBPHBOVAOEA-UHFFFAOYSA-N -1 3 328.412 3.889 20 0 EHADHM CC(C)C[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccccc1 ZINC000731868042 1130855858 /nfs/dbraw/zinc/85/58/58/1130855858.db2.gz JMSXEFKOBIIMEZ-QGZVFWFLSA-N -1 3 335.407 3.853 20 0 EHADHM Cc1nonc1C(=O)[N-]c1ncc(Cc2ccc(C)c(Cl)c2)s1 ZINC000733875946 1131087944 /nfs/dbraw/zinc/08/79/44/1131087944.db2.gz DMJFVHVZVWVTCD-UHFFFAOYSA-N -1 3 348.815 3.639 20 0 EHADHM Cc1ccc(OCCO[N-]C(=O)Cc2cccc3ccccc32)cc1 ZINC000733894485 1131161592 /nfs/dbraw/zinc/16/15/92/1131161592.db2.gz DIGXFQLYQPVTEA-UHFFFAOYSA-N -1 3 335.403 3.818 20 0 EHADHM Cc1c([O-])ccc2c(CN3CC4(CC4)c4ccccc43)cc(=O)oc12 ZINC000739924314 1131517836 /nfs/dbraw/zinc/51/78/36/1131517836.db2.gz PSCPMCGLTHCDRO-UHFFFAOYSA-N -1 3 333.387 3.859 20 0 EHADHM CCSCc1cccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000741645860 1131629140 /nfs/dbraw/zinc/62/91/40/1131629140.db2.gz DJHYWWWYIWQOBY-BOPFTXTBSA-N -1 3 338.432 3.663 20 0 EHADHM O=S(=O)([N-][C@@H]1CC[C@H]2CCC[C@H]2C1)c1ccc(Cl)nc1Cl ZINC000742319450 1131708163 /nfs/dbraw/zinc/70/81/63/1131708163.db2.gz QEJXVKNAGKOVAS-OUAUKWLOSA-N -1 3 349.283 3.636 20 0 EHADHM Cc1noc2ncc([N-]S(=O)(=O)/C=C\c3ccccc3Cl)cc12 ZINC000743265377 1131887068 /nfs/dbraw/zinc/88/70/68/1131887068.db2.gz WONYPJFMNWCRAV-SREVYHEPSA-N -1 3 349.799 3.597 20 0 EHADHM CCCn1ccc2ccc(NC(=O)c3nnc4ccccc4c3[O-])cc21 ZINC000743541889 1131944261 /nfs/dbraw/zinc/94/42/61/1131944261.db2.gz DZCVKZWXPKVTMI-UHFFFAOYSA-N -1 3 346.390 3.952 20 0 EHADHM [O-]c1cncc(-c2nc(-c3cc(F)cc(OC(F)(F)F)c3)no2)c1 ZINC001212708441 1131984166 /nfs/dbraw/zinc/98/41/66/1131984166.db2.gz IEFMCJGUKINXIM-UHFFFAOYSA-N -1 3 341.220 3.542 20 0 EHADHM COc1cccc(-c2noc([N-]Cc3nc4cc(C)ccc4[nH]3)n2)c1 ZINC000745976416 1132341727 /nfs/dbraw/zinc/34/17/27/1132341727.db2.gz 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COc1cccc(C2(CNC(=O)c3c(C)cccc3[O-])CCCC2)c1 ZINC001145065975 1137384555 /nfs/dbraw/zinc/38/45/55/1137384555.db2.gz OGNIBIYMXCZQQP-UHFFFAOYSA-N -1 3 339.435 3.951 20 0 EHADHM CC(C)(C)C[C@@H](O)CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001147757016 1137411833 /nfs/dbraw/zinc/41/18/33/1137411833.db2.gz HJRFTZOXCRKPCE-QGZVFWFLSA-N -1 3 341.451 3.510 20 0 EHADHM CC(=O)c1cc(C(=O)N2CCC3(C=Cc4ccccc43)CC2)ccc1[O-] ZINC001148657174 1137431341 /nfs/dbraw/zinc/43/13/41/1137431341.db2.gz ICSMXFRPASSEEP-UHFFFAOYSA-N -1 3 347.414 3.796 20 0 EHADHM CC(=O)c1cc(C(=O)N2CCc3c4ccccc4oc3C2)ccc1[O-] ZINC001148663229 1137431428 /nfs/dbraw/zinc/43/14/28/1137431428.db2.gz XIBZZACMGXADHT-UHFFFAOYSA-N -1 3 335.359 3.540 20 0 EHADHM CC(=O)c1cc(C(=O)N[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2c2ccccc2)ccc1[O-] ZINC001148671419 1137431673 /nfs/dbraw/zinc/43/16/73/1137431673.db2.gz VAMONIOHVYKTGU-HDIOYNLWSA-N -1 3 349.430 3.907 20 0 EHADHM O=C(NCc1ncn2ccccc12)c1cccc(-c2ccccc2)c1[O-] ZINC001148872983 1137436950 /nfs/dbraw/zinc/43/69/50/1137436950.db2.gz OMCZDAAEQBEENK-UHFFFAOYSA-N -1 3 343.386 3.637 20 0 EHADHM O=C(Nc1cncc([O-])c1)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC001149029994 1137439474 /nfs/dbraw/zinc/43/94/74/1137439474.db2.gz YNKIZDSTDIBNAP-UHFFFAOYSA-N -1 3 332.665 3.592 20 0 EHADHM CC(C)[C@@](C)(Cc1ccccc1)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC001171557159 1137497567 /nfs/dbraw/zinc/49/75/67/1137497567.db2.gz OFDKPFAKNPJAQT-HXUWFJFHSA-N -1 3 341.407 3.508 20 0 EHADHM O=C(Cc1cccc(C(F)(F)F)c1)[N-]OCCCC(F)(F)F ZINC000871210119 1137527118 /nfs/dbraw/zinc/52/71/18/1137527118.db2.gz UHVPWOZLEFENSO-UHFFFAOYSA-N -1 3 329.240 3.638 20 0 EHADHM O=C(CCCOc1ccccc1Cl)[N-]OCCCC(F)(F)F ZINC000871211314 1137527291 /nfs/dbraw/zinc/52/72/91/1137527291.db2.gz NRGSJSWZYGEXAT-UHFFFAOYSA-N -1 3 339.741 3.889 20 0 EHADHM C/C=C\COc1cccc(CC(=O)[N-]OCCCC(F)(F)F)c1 ZINC000871215954 1137527843 /nfs/dbraw/zinc/52/78/43/1137527843.db2.gz KDCNKXYJBBYMSR-IHWYPQMZSA-N -1 3 331.334 3.574 20 0 EHADHM C[C@@H](NC[C@@](O)(c1ccccc1)C(F)(F)F)c1cccc([O-])c1F ZINC000872032358 1137566576 /nfs/dbraw/zinc/56/65/76/1137566576.db2.gz RMWCXWLDUKVUJL-BDJLRTHQSA-N -1 3 343.320 3.632 20 0 EHADHM C[C@H](NCc1ncc(Br)s1)c1cccc([O-])c1F ZINC000872091442 1137570865 /nfs/dbraw/zinc/57/08/65/1137570865.db2.gz HQAQBEWSFIVNJD-ZETCQYMHSA-N -1 3 331.210 3.601 20 0 EHADHM O=C([O-])c1csc(CN2CC[C@@H](OCCCc3ccccc3)C2)c1 ZINC000872159437 1137574452 /nfs/dbraw/zinc/57/44/52/1137574452.db2.gz UFKQDRKPTCOILG-QGZVFWFLSA-N -1 3 345.464 3.670 20 0 EHADHM Cc1cccc(C2(O)CCN(Cc3cc(C(=O)[O-])cs3)CC2)c1C ZINC000872158791 1137574636 /nfs/dbraw/zinc/57/46/36/1137574636.db2.gz IKRYQMZFLJDSMD-UHFFFAOYSA-N -1 3 345.464 3.547 20 0 EHADHM O=C(c1ccc([O-])cc1)C1CCN(CC2=Cc3ccccc3OC2)CC1 ZINC000124036783 1137577999 /nfs/dbraw/zinc/57/79/99/1137577999.db2.gz CHHFXUYQOAGTOJ-UHFFFAOYSA-N -1 3 349.430 3.763 20 0 EHADHM Cc1cccnc1[C@H](NCc1nnc(-c2ccccc2[O-])o1)C(C)C ZINC000878247697 1137708488 /nfs/dbraw/zinc/70/84/88/1137708488.db2.gz FLDPODRKDQMJRM-QGZVFWFLSA-N -1 3 338.411 3.633 20 0 EHADHM O=C(Nc1cccc([O-])c1F)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000127291152 1137726058 /nfs/dbraw/zinc/72/60/58/1137726058.db2.gz PSPAACZWYSAUPN-CYBMUJFWSA-N -1 3 330.142 3.510 20 0 EHADHM CC(C)(C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)CC(F)F ZINC000882577303 1137829947 /nfs/dbraw/zinc/82/99/47/1137829947.db2.gz AQVPOVAVIQFVLT-UHFFFAOYSA-N -1 3 345.333 3.665 20 0 EHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1nc(C)cs1 ZINC000104759601 1137879245 /nfs/dbraw/zinc/87/92/45/1137879245.db2.gz KOMZBUINIFFYOW-LLVKDONJSA-N -1 3 348.852 3.674 20 0 EHADHM O=C([N-]c1nc2ccccn2n1)c1sc2ccccc2c1Cl ZINC000133185708 1137880357 /nfs/dbraw/zinc/88/03/57/1137880357.db2.gz KOCPOJUGRJMYGG-UHFFFAOYSA-N -1 3 328.784 3.850 20 0 EHADHM COc1ccccc1-c1cc(C(=O)[N-]c2sccc2C(C)=O)no1 ZINC001273993975 1137957684 /nfs/dbraw/zinc/95/76/84/1137957684.db2.gz CTJUJWHBSFGQKP-UHFFFAOYSA-N -1 3 342.376 3.867 20 0 EHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000121448449 1137957912 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RLPPMDRSDIZQMK-UHFFFAOYSA-N -1 3 348.406 3.788 20 0 EHADHM Cc1csc(C2(NC(=O)c3cc(=O)c4ccccc4[n-]3)CCC2)n1 ZINC000265345386 1138822817 /nfs/dbraw/zinc/82/28/17/1138822817.db2.gz WLBJKZWNGOVTPC-UHFFFAOYSA-N -1 3 339.420 3.515 20 0 EHADHM CC(C)(NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cccc(Cl)c1 ZINC000348488377 1138934044 /nfs/dbraw/zinc/93/40/44/1138934044.db2.gz CVQADDJQZNJWOF-UHFFFAOYSA-N -1 3 340.810 3.847 20 0 EHADHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2cccc(Cl)c2Cl)n1 ZINC000183754755 1140056348 /nfs/dbraw/zinc/05/63/48/1140056348.db2.gz LSQHEUDWFXIPAL-VIFPVBQESA-N -1 3 326.227 3.902 20 0 EHADHM O=C([N-]c1ncn(C2CCCCC2)n1)c1ccc(F)c(Cl)c1F ZINC000184903358 1140125183 /nfs/dbraw/zinc/12/51/83/1140125183.db2.gz BVNPECGMSRJCHO-UHFFFAOYSA-N -1 3 340.761 3.967 20 0 EHADHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](C)c2ccc(C(F)(F)F)cc2)n1 ZINC000192724494 1140546278 /nfs/dbraw/zinc/54/62/78/1140546278.db2.gz WUICJBGQHANLGP-QWRGUYRKSA-N -1 3 325.334 3.921 20 0 EHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccccc2F)C(C)C)c1 ZINC000270021273 1141168601 /nfs/dbraw/zinc/16/86/01/1141168601.db2.gz DTZGVBXUEWOKFF-UHFFFAOYSA-N -1 3 344.386 3.541 20 0 EHADHM COc1cc(C(=O)N2CC[C@H]2c2ccc(Cl)cc2)cc(OC)c1[O-] ZINC000270799805 1141271395 /nfs/dbraw/zinc/27/13/95/1141271395.db2.gz LUEZHASEZROGFV-AWEZNQCLSA-N -1 3 347.798 3.650 20 0 EHADHM CC(C)(C)c1nsc([N-]C(=O)c2cc(F)cc3cccnc32)n1 ZINC000271337968 1141347563 /nfs/dbraw/zinc/34/75/63/1141347563.db2.gz WSVOQECQKVBCHU-UHFFFAOYSA-N -1 3 330.388 3.775 20 0 EHADHM CCCOc1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1OCC ZINC000020933364 202058719 /nfs/dbraw/zinc/05/87/19/202058719.db2.gz BEYZGQLGEOQVKH-UHFFFAOYSA-N -1 3 343.423 3.862 20 0 EHADHM COc1ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1F ZINC000071977247 203156521 /nfs/dbraw/zinc/15/65/21/203156521.db2.gz IMSMJRKXAYBOSV-UHFFFAOYSA-N -1 3 337.416 3.869 20 0 EHADHM Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)c([O-])c1C ZINC000130981445 205269975 /nfs/dbraw/zinc/26/99/75/205269975.db2.gz ZBMXQYNZBBIPIZ-KBXCAEBGSA-N -1 3 325.408 3.611 20 0 EHADHM O=C([O-])C[C@@H]1CCCN(CCOc2cc(Cl)ccc2Cl)CC1 ZINC000299742424 563913319 /nfs/dbraw/zinc/91/33/19/563913319.db2.gz HWHTZENEGHYSEV-GFCCVEGCSA-N -1 3 346.254 3.949 20 0 EHADHM Cc1cc(C)c([C@H](C)OC(=O)c2sccc2-c2nnn[n-]2)c(C)c1 ZINC000737244976 598845370 /nfs/dbraw/zinc/84/53/70/598845370.db2.gz AWIYGOKGTOUSTE-LBPRGKRZSA-N -1 3 342.424 3.771 20 0 EHADHM C[C@H](CC1CCCC1)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000735987044 598902602 /nfs/dbraw/zinc/90/26/02/598902602.db2.gz WPHSIXNDCDBYLJ-SNVBAGLBSA-N -1 3 333.823 3.675 20 0 EHADHM C[C@H](CC1CCCC1)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000735987044 598902604 /nfs/dbraw/zinc/90/26/04/598902604.db2.gz WPHSIXNDCDBYLJ-SNVBAGLBSA-N -1 3 333.823 3.675 20 0 EHADHM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000566590997 598910149 /nfs/dbraw/zinc/91/01/49/598910149.db2.gz OHFINDNDUZSDJK-MSOLQXFVSA-N -1 3 347.422 3.732 20 0 EHADHM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000566590997 598910151 /nfs/dbraw/zinc/91/01/51/598910151.db2.gz OHFINDNDUZSDJK-MSOLQXFVSA-N -1 3 347.422 3.732 20 0 EHADHM CC1(C)CN(c2ncc(-c3nnn[n-]3)cc2Cl)[C@@H]1c1ccccc1 ZINC000736213595 598938125 /nfs/dbraw/zinc/93/81/25/598938125.db2.gz KVWUGQRSFPBZMT-CQSZACIVSA-N -1 3 340.818 3.503 20 0 EHADHM CC1(C)CN(c2ncc(-c3nn[n-]n3)cc2Cl)[C@@H]1c1ccccc1 ZINC000736213595 598938126 /nfs/dbraw/zinc/93/81/26/598938126.db2.gz KVWUGQRSFPBZMT-CQSZACIVSA-N -1 3 340.818 3.503 20 0 EHADHM C[C@@H](c1cccc(Cl)c1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736198154 598938131 /nfs/dbraw/zinc/93/81/31/598938131.db2.gz GVFNPEDAHYIRAU-VIFPVBQESA-N -1 3 349.225 3.766 20 0 EHADHM C[C@@H](c1cccc(Cl)c1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736198154 598938133 /nfs/dbraw/zinc/93/81/33/598938133.db2.gz GVFNPEDAHYIRAU-VIFPVBQESA-N -1 3 349.225 3.766 20 0 EHADHM Clc1ccc(CCCSc2cc(-c3nnn[n-]3)ccn2)cc1 ZINC000737576323 598938896 /nfs/dbraw/zinc/93/88/96/598938896.db2.gz PPNIKNDCQPWXEO-UHFFFAOYSA-N -1 3 331.832 3.640 20 0 EHADHM Clc1ccc(CCCSc2cc(-c3nn[n-]n3)ccn2)cc1 ZINC000737576323 598938898 /nfs/dbraw/zinc/93/88/98/598938898.db2.gz PPNIKNDCQPWXEO-UHFFFAOYSA-N -1 3 331.832 3.640 20 0 EHADHM Fc1cccc(Cl)c1[C@H]1C[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737659184 598972091 /nfs/dbraw/zinc/97/20/91/598972091.db2.gz AAIJOTOGPKYKFF-FZMZJTMJSA-N -1 3 329.766 3.627 20 0 EHADHM C[C@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CC[C@@H]1c1ccccc1 ZINC000820775395 599050294 /nfs/dbraw/zinc/05/02/94/599050294.db2.gz HVRCWBIROPOJDQ-ZFWWWQNUSA-N -1 3 337.402 3.636 20 0 EHADHM C[C@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CC[C@@H]1c1ccccc1 ZINC000820775395 599050296 /nfs/dbraw/zinc/05/02/96/599050296.db2.gz HVRCWBIROPOJDQ-ZFWWWQNUSA-N -1 3 337.402 3.636 20 0 EHADHM C[C@@H]1CC[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)[C@@H](C)C1 ZINC000736244566 599056565 /nfs/dbraw/zinc/05/65/65/599056565.db2.gz KFKMIIJBCIVODP-WCABBAIRSA-N -1 3 340.353 3.517 20 0 EHADHM C[C@@H]1CC[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC000736244566 599056567 /nfs/dbraw/zinc/05/65/67/599056567.db2.gz KFKMIIJBCIVODP-WCABBAIRSA-N -1 3 340.353 3.517 20 0 EHADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cc1F)Oc1ccccc1Cl ZINC000820274234 599064337 /nfs/dbraw/zinc/06/43/37/599064337.db2.gz FIIYKMVEDDEENA-SNVBAGLBSA-N -1 3 347.781 3.539 20 0 EHADHM CS[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC000821951382 599073292 /nfs/dbraw/zinc/07/32/92/599073292.db2.gz XTDZHVVKPNAQIA-UWVGGRQHSA-N -1 3 343.378 3.582 20 0 EHADHM CS[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC000821951384 599073426 /nfs/dbraw/zinc/07/34/26/599073426.db2.gz XTDZHVVKPNAQIA-ZJUUUORDSA-N -1 3 343.378 3.582 20 0 EHADHM CCC(CC)(CNc1c(Cl)cccc1-c1nnn[n-]1)SC ZINC000820887642 599085168 /nfs/dbraw/zinc/08/51/68/599085168.db2.gz KGRYHAWEQUVAMM-UHFFFAOYSA-N -1 3 325.869 3.854 20 0 EHADHM CCC(CC)(CNc1c(Cl)cccc1-c1nn[n-]n1)SC ZINC000820887642 599085171 /nfs/dbraw/zinc/08/51/71/599085171.db2.gz KGRYHAWEQUVAMM-UHFFFAOYSA-N -1 3 325.869 3.854 20 0 EHADHM CCC(CC)(CNc1ccc(-c2nnn[n-]2)c(Cl)c1)SC ZINC000820887763 599085563 /nfs/dbraw/zinc/08/55/63/599085563.db2.gz PRXRYISEDWFZPN-UHFFFAOYSA-N -1 3 325.869 3.854 20 0 EHADHM CCC(CC)(CNc1ccc(-c2nn[n-]n2)c(Cl)c1)SC ZINC000820887763 599085568 /nfs/dbraw/zinc/08/55/68/599085568.db2.gz PRXRYISEDWFZPN-UHFFFAOYSA-N -1 3 325.869 3.854 20 0 EHADHM CCc1ccc(COc2c(Cl)cc(-c3nnn[n-]3)cc2OC)cc1 ZINC000736690650 599233306 /nfs/dbraw/zinc/23/33/06/599233306.db2.gz MFYYUYPSJAAILB-UHFFFAOYSA-N -1 3 344.802 3.670 20 0 EHADHM CCc1ccc(COc2c(Cl)cc(-c3nn[n-]n3)cc2OC)cc1 ZINC000736690650 599233307 /nfs/dbraw/zinc/23/33/07/599233307.db2.gz MFYYUYPSJAAILB-UHFFFAOYSA-N -1 3 344.802 3.670 20 0 EHADHM C[C@H](Nc1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc(F)c1F ZINC000824650604 608304358 /nfs/dbraw/zinc/30/43/58/608304358.db2.gz SSBBROVIGNVOHU-ZETCQYMHSA-N -1 3 337.280 3.596 20 0 EHADHM C[C@H](Nc1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc(F)c1F ZINC000824650604 608304360 /nfs/dbraw/zinc/30/43/60/608304360.db2.gz SSBBROVIGNVOHU-ZETCQYMHSA-N -1 3 337.280 3.596 20 0 EHADHM Cc1c(NC(=O)N2CCC[C@@H]2c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822083835 607283859 /nfs/dbraw/zinc/28/38/59/607283859.db2.gz DXILETFIGQJGSF-QGZVFWFLSA-N -1 3 348.410 3.544 20 0 EHADHM Cc1c(NC(=O)N2CCC[C@@H]2c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822083835 607283860 /nfs/dbraw/zinc/28/38/60/607283860.db2.gz DXILETFIGQJGSF-QGZVFWFLSA-N -1 3 348.410 3.544 20 0 EHADHM CCC[C@H]1[C@H](C)CCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821034291 607285516 /nfs/dbraw/zinc/28/55/16/607285516.db2.gz KDYXWQUKSLZCDM-WBMJQRKESA-N -1 3 342.447 3.608 20 0 EHADHM CCC[C@H]1[C@H](C)CCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821034291 607285517 /nfs/dbraw/zinc/28/55/17/607285517.db2.gz KDYXWQUKSLZCDM-WBMJQRKESA-N -1 3 342.447 3.608 20 0 EHADHM Cc1c(NC(=O)C2(Cc3ccccc3)CCC2)cccc1-c1nnn[n-]1 ZINC000822061512 607296603 /nfs/dbraw/zinc/29/66/03/607296603.db2.gz OQRHNHXSMJYDFK-UHFFFAOYSA-N -1 3 347.422 3.527 20 0 EHADHM Cc1c(NC(=O)C2(Cc3ccccc3)CCC2)cccc1-c1nn[n-]n1 ZINC000822061512 607296604 /nfs/dbraw/zinc/29/66/04/607296604.db2.gz OQRHNHXSMJYDFK-UHFFFAOYSA-N -1 3 347.422 3.527 20 0 EHADHM COc1ccc(CNc2cccc(C(F)(F)F)c2)cc1-c1nnn[n-]1 ZINC000821821617 607310488 /nfs/dbraw/zinc/31/04/88/607310488.db2.gz NPDUWTGSUUHODJ-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM COc1ccc(CNc2cccc(C(F)(F)F)c2)cc1-c1nn[n-]n1 ZINC000821821617 607310489 /nfs/dbraw/zinc/31/04/89/607310489.db2.gz NPDUWTGSUUHODJ-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM Cc1c(NCc2cc(-c3nnn[n-]3)cs2)cccc1C(F)(F)F ZINC000822123193 607311699 /nfs/dbraw/zinc/31/16/99/607311699.db2.gz VMYIOKIITWRIQP-UHFFFAOYSA-N -1 3 339.346 3.868 20 0 EHADHM Cc1c(NCc2cc(-c3nn[n-]n3)cs2)cccc1C(F)(F)F ZINC000822123193 607311700 /nfs/dbraw/zinc/31/17/00/607311700.db2.gz VMYIOKIITWRIQP-UHFFFAOYSA-N -1 3 339.346 3.868 20 0 EHADHM CCCCN(C)c1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821062552 607317038 /nfs/dbraw/zinc/31/70/38/607317038.db2.gz XICHYYMNVDJPBB-UHFFFAOYSA-N -1 3 342.472 3.777 20 0 EHADHM CCCCN(C)c1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821062552 607317039 /nfs/dbraw/zinc/31/70/39/607317039.db2.gz XICHYYMNVDJPBB-UHFFFAOYSA-N -1 3 342.472 3.777 20 0 EHADHM O=C([O-])c1cccc(CNCc2ccnc(Oc3ccccc3)c2)c1 ZINC000821552277 598202563 /nfs/dbraw/zinc/20/25/63/598202563.db2.gz FERLZMKNHLUGPJ-UHFFFAOYSA-N -1 3 334.375 3.862 20 0 EHADHM FC(F)(F)c1ccc(NCc2ccsc2)cc1-c1nnn[n-]1 ZINC000822727916 607346773 /nfs/dbraw/zinc/34/67/73/607346773.db2.gz BWJZGQKPYGKYCI-UHFFFAOYSA-N -1 3 325.319 3.559 20 0 EHADHM FC(F)(F)c1ccc(NCc2ccsc2)cc1-c1nn[n-]n1 ZINC000822727916 607346775 /nfs/dbraw/zinc/34/67/75/607346775.db2.gz BWJZGQKPYGKYCI-UHFFFAOYSA-N -1 3 325.319 3.559 20 0 EHADHM Clc1cc(-c2nnn[n-]2)cnc1NCCCSc1ccccc1 ZINC000737559601 598388195 /nfs/dbraw/zinc/38/81/95/598388195.db2.gz ZWICBGUFNJJTQN-UHFFFAOYSA-N -1 3 346.847 3.509 20 0 EHADHM Clc1cc(-c2nn[n-]n2)cnc1NCCCSc1ccccc1 ZINC000737559601 598388196 /nfs/dbraw/zinc/38/81/96/598388196.db2.gz ZWICBGUFNJJTQN-UHFFFAOYSA-N -1 3 346.847 3.509 20 0 EHADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(Cl)s1 ZINC000736137662 598388808 /nfs/dbraw/zinc/38/88/08/598388808.db2.gz NKWRTIUJWGWWCX-ZCFIWIBFSA-N -1 3 341.227 3.803 20 0 EHADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(Cl)s1 ZINC000736137662 598388811 /nfs/dbraw/zinc/38/88/11/598388811.db2.gz NKWRTIUJWGWWCX-ZCFIWIBFSA-N -1 3 341.227 3.803 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1OCc1csc(C2CCCC2)n1 ZINC000737221315 598395016 /nfs/dbraw/zinc/39/50/16/598395016.db2.gz IMVZDPODPZUYHT-UHFFFAOYSA-N -1 3 341.440 3.868 20 0 EHADHM CC=CC=CC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736302816 598552830 /nfs/dbraw/zinc/55/28/30/598552830.db2.gz HCFYCYGOYJZDEX-HOJFPOIOSA-N -1 3 347.378 3.730 20 0 EHADHM CC=CC=CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736302816 598552831 /nfs/dbraw/zinc/55/28/31/598552831.db2.gz HCFYCYGOYJZDEX-HOJFPOIOSA-N -1 3 347.378 3.730 20 0 EHADHM Cc1cccc2c1OCC[C@H]2Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737411308 598668436 /nfs/dbraw/zinc/66/84/36/598668436.db2.gz ZUWHLOGHOWEQBP-OAHLLOKOSA-N -1 3 341.802 3.764 20 0 EHADHM Cc1cccc2c1OCC[C@H]2Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737411308 598668438 /nfs/dbraw/zinc/66/84/38/598668438.db2.gz ZUWHLOGHOWEQBP-OAHLLOKOSA-N -1 3 341.802 3.764 20 0 EHADHM Fc1ccc(CSCCCOc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000737649425 598695443 /nfs/dbraw/zinc/69/54/43/598695443.db2.gz OAPZNMVUSMTFSH-UHFFFAOYSA-N -1 3 344.415 3.708 20 0 EHADHM Fc1ccc(CSCCCOc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000737649425 598695444 /nfs/dbraw/zinc/69/54/44/598695444.db2.gz OAPZNMVUSMTFSH-UHFFFAOYSA-N -1 3 344.415 3.708 20 0 EHADHM C[C@@H](Nc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000736137363 598791158 /nfs/dbraw/zinc/79/11/58/598791158.db2.gz JZLIRTNAJYCIDR-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@@H](Nc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000736137363 598791159 /nfs/dbraw/zinc/79/11/59/598791159.db2.gz JZLIRTNAJYCIDR-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM Fc1ccccc1OCCCNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737667699 599401140 /nfs/dbraw/zinc/40/11/40/599401140.db2.gz BJXRJQFGFDVXSZ-UHFFFAOYSA-N -1 3 347.781 3.540 20 0 EHADHM Fc1ccccc1OCCCNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737667699 599401141 /nfs/dbraw/zinc/40/11/41/599401141.db2.gz BJXRJQFGFDVXSZ-UHFFFAOYSA-N -1 3 347.781 3.540 20 0 EHADHM Cc1ccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)c(C)c1 ZINC000737342816 599411675 /nfs/dbraw/zinc/41/16/75/599411675.db2.gz QPQKHXVXDYNNBC-UHFFFAOYSA-N -1 3 330.395 3.644 20 0 EHADHM Cc1ccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)c(C)c1 ZINC000737342816 599411681 /nfs/dbraw/zinc/41/16/81/599411681.db2.gz QPQKHXVXDYNNBC-UHFFFAOYSA-N -1 3 330.395 3.644 20 0 EHADHM CCOc1ccccc1CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736654222 599416354 /nfs/dbraw/zinc/41/63/54/599416354.db2.gz SNDWRDCMZSGQGO-UHFFFAOYSA-N -1 3 329.791 3.531 20 0 EHADHM CCOc1ccccc1CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736654222 599416357 /nfs/dbraw/zinc/41/63/57/599416357.db2.gz SNDWRDCMZSGQGO-UHFFFAOYSA-N -1 3 329.791 3.531 20 0 EHADHM CS[C@@H]1CCC[C@@H](Nc2cc(-c3nnn[n-]3)c3ccccc3n2)C1 ZINC000737182290 599441724 /nfs/dbraw/zinc/44/17/24/599441724.db2.gz YRTCHQJFKKMERT-VXGBXAGGSA-N -1 3 340.456 3.501 20 0 EHADHM CS[C@@H]1CCC[C@@H](Nc2cc(-c3nn[n-]n3)c3ccccc3n2)C1 ZINC000737182290 599441726 /nfs/dbraw/zinc/44/17/26/599441726.db2.gz YRTCHQJFKKMERT-VXGBXAGGSA-N -1 3 340.456 3.501 20 0 EHADHM C[C@H]1CN(c2c(Cl)cccc2-c2nnn[n-]2)Cc2ccccc21 ZINC000820768514 599464653 /nfs/dbraw/zinc/46/46/53/599464653.db2.gz NPRBAJRQIQJIDV-NSHDSACASA-N -1 3 325.803 3.644 20 0 EHADHM C[C@H]1CN(c2c(Cl)cccc2-c2nn[n-]n2)Cc2ccccc21 ZINC000820768514 599464656 /nfs/dbraw/zinc/46/46/56/599464656.db2.gz NPRBAJRQIQJIDV-NSHDSACASA-N -1 3 325.803 3.644 20 0 EHADHM CCC[C@H](C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000821008797 599502615 /nfs/dbraw/zinc/50/26/15/599502615.db2.gz LONZHFJLZWTPLE-KDOFPFPSSA-N -1 3 349.438 3.628 20 0 EHADHM CCC[C@H](C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000821008797 599502617 /nfs/dbraw/zinc/50/26/17/599502617.db2.gz LONZHFJLZWTPLE-KDOFPFPSSA-N -1 3 349.438 3.628 20 0 EHADHM C[C@H](Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccc(O)c1 ZINC000820456453 599516554 /nfs/dbraw/zinc/51/65/54/599516554.db2.gz UFTGMDWRDVATKO-VIFPVBQESA-N -1 3 349.316 3.764 20 0 EHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc(O)c1 ZINC000820456453 599516556 /nfs/dbraw/zinc/51/65/56/599516556.db2.gz UFTGMDWRDVATKO-VIFPVBQESA-N -1 3 349.316 3.764 20 0 EHADHM Cc1ccccc1[C@@H]1C[C@H](C)N(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000737422234 599527007 /nfs/dbraw/zinc/52/70/07/599527007.db2.gz MNGUPSATEKKSAW-DZGCQCFKSA-N -1 3 337.402 3.697 20 0 EHADHM CCc1ccc([C@H]2CCCN2c2ccc(F)cc2-c2nnn[n-]2)o1 ZINC000821481798 599561177 /nfs/dbraw/zinc/56/11/77/599561177.db2.gz OJKDLBIKAPFBBP-OAHLLOKOSA-N -1 3 327.363 3.503 20 0 EHADHM CCc1ccc([C@H]2CCCN2c2ccc(F)cc2-c2nn[n-]n2)o1 ZINC000821481798 599561178 /nfs/dbraw/zinc/56/11/78/599561178.db2.gz OJKDLBIKAPFBBP-OAHLLOKOSA-N -1 3 327.363 3.503 20 0 EHADHM c1ccc2c(c1)ncc(-c1nnn[n-]1)c2N1CCC2(CCCC2)CC1 ZINC000823791989 599568734 /nfs/dbraw/zinc/56/87/34/599568734.db2.gz LVBMCSUOJQEFCZ-UHFFFAOYSA-N -1 3 334.427 3.576 20 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NSTVYMIRLIPPEH-LLVKDONJSA-N -1 3 337.416 3.740 20 0 EHADHM O=C([O-])c1cc(F)ccc1CN1CCC[C@@H](Oc2ccccc2)C1 ZINC000740080218 600644517 /nfs/dbraw/zinc/64/45/17/600644517.db2.gz ZSUPHBPKCVNKNS-QGZVFWFLSA-N -1 3 329.371 3.567 20 0 EHADHM O=C([O-])[C@@H](NCCOc1ccc2ccccc2c1)c1ccccc1F ZINC000833165413 600734957 /nfs/dbraw/zinc/73/49/57/600734957.db2.gz JBBYETYVDQAOHR-IBGZPJMESA-N -1 3 339.366 3.773 20 0 EHADHM COc1ccc2c(c1)CCC[C@H]2N[C@@H](C(=O)[O-])c1ccccc1F ZINC000832493373 600744586 /nfs/dbraw/zinc/74/45/86/600744586.db2.gz ALUSNBGDCGGSDS-QZTJIDSGSA-N -1 3 329.371 3.627 20 0 EHADHM O=C([O-])[C@H](N[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1ccccc1F ZINC000833168011 600753167 /nfs/dbraw/zinc/75/31/67/600753167.db2.gz SABXILPHJSUEDR-QSGSBWRWSA-N -1 3 337.753 3.890 20 0 EHADHM C[C@H](CN[C@H](C(=O)[O-])c1ccccc1F)Oc1cccc(Cl)c1 ZINC000827502651 600756085 /nfs/dbraw/zinc/75/60/85/600756085.db2.gz NUNCFAOSSZUZNQ-BZNIZROVSA-N -1 3 337.778 3.662 20 0 EHADHM CC(C)OCCCN(C)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl 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CCC(CC)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000820893811 607052840 /nfs/dbraw/zinc/05/28/40/607052840.db2.gz WDTNOKYCWFWIBZ-UHFFFAOYSA-N -1 3 333.461 3.572 20 0 EHADHM CCC(CC)CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000820893811 607052842 /nfs/dbraw/zinc/05/28/42/607052842.db2.gz WDTNOKYCWFWIBZ-UHFFFAOYSA-N -1 3 333.461 3.572 20 0 EHADHM Clc1ccc(CNc2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000822574345 607125102 /nfs/dbraw/zinc/12/51/02/607125102.db2.gz RYIRQRMRKQILRA-UHFFFAOYSA-N -1 3 326.212 3.847 20 0 EHADHM Cc1ccc(-c2cnc(COc3ccc(-c4nn[n-]n4)cc3C)o2)cc1 ZINC000822213900 607158699 /nfs/dbraw/zinc/15/86/99/607158699.db2.gz GFLPUSKYWOINIC-UHFFFAOYSA-N -1 3 347.378 3.718 20 0 EHADHM C[C@H]1CCC[C@H](CC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820699155 607189735 /nfs/dbraw/zinc/18/97/35/607189735.db2.gz XVTBQKKEVHVOIW-QWRGUYRKSA-N -1 3 333.823 3.675 20 0 EHADHM C[C@H]1CCC[C@H](CC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820699155 607189736 /nfs/dbraw/zinc/18/97/36/607189736.db2.gz XVTBQKKEVHVOIW-QWRGUYRKSA-N -1 3 333.823 3.675 20 0 EHADHM CCCCC[C@H]1CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000821049919 607193972 /nfs/dbraw/zinc/19/39/72/607193972.db2.gz NXSVIZDHENRWAP-HNNXBMFYSA-N -1 3 342.447 3.752 20 0 EHADHM CCCCC[C@H]1CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000821049919 607193973 /nfs/dbraw/zinc/19/39/73/607193973.db2.gz NXSVIZDHENRWAP-HNNXBMFYSA-N -1 3 342.447 3.752 20 0 EHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)C1CCCCCCC1 ZINC000823313455 607243160 /nfs/dbraw/zinc/24/31/60/607243160.db2.gz BKDUFHBBTOMSKL-UHFFFAOYSA-N -1 3 333.823 3.819 20 0 EHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C1CCCCCCC1 ZINC000823313455 607243161 /nfs/dbraw/zinc/24/31/61/607243161.db2.gz BKDUFHBBTOMSKL-UHFFFAOYSA-N -1 3 333.823 3.819 20 0 EHADHM Clc1cc(-c2nnn[n-]2)ccc1SC[C@H]1CC1(Cl)Cl ZINC000826351007 607844915 /nfs/dbraw/zinc/84/49/15/607844915.db2.gz UDJAPMHRPJJWCE-SSDOTTSWSA-N -1 3 335.647 3.806 20 0 EHADHM Clc1cc(-c2nn[n-]n2)ccc1SC[C@H]1CC1(Cl)Cl ZINC000826351007 607844916 /nfs/dbraw/zinc/84/49/16/607844916.db2.gz UDJAPMHRPJJWCE-SSDOTTSWSA-N -1 3 335.647 3.806 20 0 EHADHM C[C@@H](NC(=O)C[C@H]1CCCC(C)(C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824478282 607881231 /nfs/dbraw/zinc/88/12/31/607881231.db2.gz GHFILKBKRIEUFG-ZIAGYGMSSA-N -1 3 341.459 3.650 20 0 EHADHM C[C@@H](NC(=O)C[C@H]1CCCC(C)(C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824478282 607881232 /nfs/dbraw/zinc/88/12/32/607881232.db2.gz GHFILKBKRIEUFG-ZIAGYGMSSA-N -1 3 341.459 3.650 20 0 EHADHM CC(=Cc1ccccc1Cl)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000823943932 607920420 /nfs/dbraw/zinc/92/04/20/607920420.db2.gz VJHYUKXAMAOZPJ-ZHACJKMWSA-N -1 3 339.786 3.562 20 0 EHADHM CC(=Cc1ccccc1Cl)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000823943932 607920421 /nfs/dbraw/zinc/92/04/21/607920421.db2.gz VJHYUKXAMAOZPJ-ZHACJKMWSA-N -1 3 339.786 3.562 20 0 EHADHM c1sc(C2CC2)nc1CSCc1cccc(-c2nnn[n-]2)c1 ZINC000826516648 607984974 /nfs/dbraw/zinc/98/49/74/607984974.db2.gz UUDCPEQGQOLFCG-UHFFFAOYSA-N -1 3 329.454 3.634 20 0 EHADHM c1sc(C2CC2)nc1CSCc1cccc(-c2nn[n-]n2)c1 ZINC000826516648 607984975 /nfs/dbraw/zinc/98/49/75/607984975.db2.gz UUDCPEQGQOLFCG-UHFFFAOYSA-N -1 3 329.454 3.634 20 0 EHADHM Cc1ccc(Br)c(NCc2ccccc2-c2nnn[n-]2)c1 ZINC000826281086 608048861 /nfs/dbraw/zinc/04/88/61/608048861.db2.gz CWVGDNYNDACPML-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM Cc1ccc(Br)c(NCc2ccccc2-c2nn[n-]n2)c1 ZINC000826281086 608048862 /nfs/dbraw/zinc/04/88/62/608048862.db2.gz CWVGDNYNDACPML-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM Clc1cc(CNCc2ccc(-c3nn[n-]n3)cc2)c(Cl)s1 ZINC000826350557 608162059 /nfs/dbraw/zinc/16/20/59/608162059.db2.gz BHYJAPUQZXYEDN-UHFFFAOYSA-N -1 3 340.239 3.525 20 0 EHADHM C[C@H](Cc1cccs1)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000824457110 608221360 /nfs/dbraw/zinc/22/13/60/608221360.db2.gz FFFWOQOZEUHINM-LLVKDONJSA-N -1 3 336.424 3.520 20 0 EHADHM C[C@H](Cc1cccs1)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000824457110 608221361 /nfs/dbraw/zinc/22/13/61/608221361.db2.gz FFFWOQOZEUHINM-LLVKDONJSA-N -1 3 336.424 3.520 20 0 EHADHM CCC[C@@H](C(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)C ZINC000825225452 608343218 /nfs/dbraw/zinc/34/32/18/608343218.db2.gz TVVMRZJVRASBKF-CYBMUJFWSA-N -1 3 349.866 3.945 20 0 EHADHM CCC[C@@H](C(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1)C(C)C ZINC000825225452 608343220 /nfs/dbraw/zinc/34/32/20/608343220.db2.gz TVVMRZJVRASBKF-CYBMUJFWSA-N -1 3 349.866 3.945 20 0 EHADHM CCN(C(=O)[C@@H]1CCC[C@@H](C)C1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825368044 608346622 /nfs/dbraw/zinc/34/66/22/608346622.db2.gz ZOYBCJSCVQQPHY-VXGBXAGGSA-N -1 3 347.850 3.699 20 0 EHADHM CCN(C(=O)[C@@H]1CCC[C@@H](C)C1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825368044 608346625 /nfs/dbraw/zinc/34/66/25/608346625.db2.gz ZOYBCJSCVQQPHY-VXGBXAGGSA-N -1 3 347.850 3.699 20 0 EHADHM CC[C@H](C)n1ncc(NCc2cccc(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825081128 608427725 /nfs/dbraw/zinc/42/77/25/608427725.db2.gz GOXZZZRVGAVISE-LBPRGKRZSA-N -1 3 337.431 3.524 20 0 EHADHM CC[C@H](C)n1ncc(NCc2cccc(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825081128 608427727 /nfs/dbraw/zinc/42/77/27/608427727.db2.gz GOXZZZRVGAVISE-LBPRGKRZSA-N -1 3 337.431 3.524 20 0 EHADHM CCOc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c(C)c1 ZINC000825642754 609160456 /nfs/dbraw/zinc/16/04/56/609160456.db2.gz AYKCADMAJGSFCT-GFCCVEGCSA-N -1 3 341.390 3.886 20 0 EHADHM CCOc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c(C)c1 ZINC000825642754 609160457 /nfs/dbraw/zinc/16/04/57/609160457.db2.gz AYKCADMAJGSFCT-GFCCVEGCSA-N -1 3 341.390 3.886 20 0 EHADHM COc1cc(-c2nnn[n-]2)ccc1CSCc1ccc(CF)cc1 ZINC000826173402 609185457 /nfs/dbraw/zinc/18/54/57/609185457.db2.gz CCWBZNWTPXNPJJ-UHFFFAOYSA-N -1 3 344.415 3.778 20 0 EHADHM COc1cc(-c2nn[n-]n2)ccc1CSCc1ccc(CF)cc1 ZINC000826173402 609185459 /nfs/dbraw/zinc/18/54/59/609185459.db2.gz CCWBZNWTPXNPJJ-UHFFFAOYSA-N -1 3 344.415 3.778 20 0 EHADHM CCCOc1ccccc1N[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000825341424 609236851 /nfs/dbraw/zinc/23/68/51/609236851.db2.gz CYGBBCPQXXXCQB-GFCCVEGCSA-N -1 3 341.390 3.968 20 0 EHADHM CCCOc1ccccc1N[C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000825341424 609236853 /nfs/dbraw/zinc/23/68/53/609236853.db2.gz CYGBBCPQXXXCQB-GFCCVEGCSA-N -1 3 341.390 3.968 20 0 EHADHM C[C@@H](Nc1cc(F)ccc1OC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824648722 609247040 /nfs/dbraw/zinc/24/70/40/609247040.db2.gz JGWCQNQDZPHHQA-SECBINFHSA-N -1 3 349.316 3.780 20 0 EHADHM C[C@@H](Nc1cc(F)ccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824648722 609247042 /nfs/dbraw/zinc/24/70/42/609247042.db2.gz JGWCQNQDZPHHQA-SECBINFHSA-N -1 3 349.316 3.780 20 0 EHADHM Clc1ccc2nc(NCc3cc(-c4nnn[n-]4)cs3)sc2c1 ZINC000826352495 609264681 /nfs/dbraw/zinc/26/46/81/609264681.db2.gz CPROWHVUYDAVAM-UHFFFAOYSA-N -1 3 348.844 3.803 20 0 EHADHM Clc1ccc2nc(NCc3cc(-c4nn[n-]n4)cs3)sc2c1 ZINC000826352495 609264683 /nfs/dbraw/zinc/26/46/83/609264683.db2.gz CPROWHVUYDAVAM-UHFFFAOYSA-N -1 3 348.844 3.803 20 0 EHADHM C[C@@H](Nc1ccccc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000824662156 609271198 /nfs/dbraw/zinc/27/11/98/609271198.db2.gz DUEAFDVRJUFBAZ-SNVBAGLBSA-N -1 3 344.216 3.802 20 0 EHADHM C[C@@H](Nc1ccccc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000824662156 609271200 /nfs/dbraw/zinc/27/12/00/609271200.db2.gz DUEAFDVRJUFBAZ-SNVBAGLBSA-N -1 3 344.216 3.802 20 0 EHADHM COc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c2cccnc12 ZINC000826210203 609277118 /nfs/dbraw/zinc/27/71/18/609277118.db2.gz IXJMWKQMNNZKCM-LBPRGKRZSA-N -1 3 346.394 3.597 20 0 EHADHM COc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c2cccnc12 ZINC000826210203 609277120 /nfs/dbraw/zinc/27/71/20/609277120.db2.gz IXJMWKQMNNZKCM-LBPRGKRZSA-N -1 3 346.394 3.597 20 0 EHADHM COc1ccc(Cl)c(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826208575 609281711 /nfs/dbraw/zinc/28/17/11/609281711.db2.gz QNGRSTIYECDHQF-SNVBAGLBSA-N -1 3 329.791 3.702 20 0 EHADHM COc1ccc(Cl)c(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826208575 609281713 /nfs/dbraw/zinc/28/17/13/609281713.db2.gz QNGRSTIYECDHQF-SNVBAGLBSA-N -1 3 329.791 3.702 20 0 EHADHM CCOc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000825642908 609346297 /nfs/dbraw/zinc/34/62/97/609346297.db2.gz FGCQYFSBPQSMAL-LLVKDONJSA-N -1 3 327.363 3.578 20 0 EHADHM CCOc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000825642908 609346299 /nfs/dbraw/zinc/34/62/99/609346299.db2.gz FGCQYFSBPQSMAL-LLVKDONJSA-N -1 3 327.363 3.578 20 0 EHADHM COc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000826210161 609346568 /nfs/dbraw/zinc/34/65/68/609346568.db2.gz HBFDSFNKHHFYOI-VIFPVBQESA-N -1 3 347.781 3.841 20 0 EHADHM COc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000826210161 609346570 /nfs/dbraw/zinc/34/65/70/609346570.db2.gz HBFDSFNKHHFYOI-VIFPVBQESA-N -1 3 347.781 3.841 20 0 EHADHM C[C@H](Nc1ccc(F)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824658011 609349365 /nfs/dbraw/zinc/34/93/65/609349365.db2.gz UAEZERUTQYHFMQ-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@H](Nc1ccc(F)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824658011 609349366 /nfs/dbraw/zinc/34/93/66/609349366.db2.gz UAEZERUTQYHFMQ-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM CC(C)[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccc(Cl)cc1F ZINC000824200749 609381813 /nfs/dbraw/zinc/38/18/13/609381813.db2.gz UKDQCMUADWGPQR-HNNXBMFYSA-N -1 3 349.797 3.739 20 0 EHADHM CC(C)[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccc(Cl)cc1F ZINC000824200749 609381814 /nfs/dbraw/zinc/38/18/14/609381814.db2.gz UKDQCMUADWGPQR-HNNXBMFYSA-N -1 3 349.797 3.739 20 0 EHADHM FC(F)(F)CCSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826367667 609451440 /nfs/dbraw/zinc/45/14/40/609451440.db2.gz JGJZCOUMGAOVHL-UHFFFAOYSA-N -1 3 342.268 3.930 20 0 EHADHM FC(F)(F)CCSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826367667 609451441 /nfs/dbraw/zinc/45/14/41/609451441.db2.gz JGJZCOUMGAOVHL-UHFFFAOYSA-N -1 3 342.268 3.930 20 0 EHADHM FC(F)(F)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826367807 609454067 /nfs/dbraw/zinc/45/40/67/609454067.db2.gz PCWBIOKXMVFHPZ-UHFFFAOYSA-N -1 3 328.241 3.540 20 0 EHADHM FC(F)(F)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826367807 609454071 /nfs/dbraw/zinc/45/40/71/609454071.db2.gz PCWBIOKXMVFHPZ-UHFFFAOYSA-N -1 3 328.241 3.540 20 0 EHADHM Fc1c(CNc2ccccc2C(F)(F)F)cccc1-c1nnn[n-]1 ZINC000826370862 609476332 /nfs/dbraw/zinc/47/63/32/609476332.db2.gz JYZFPHNKJTXIPT-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Fc1c(CNc2ccccc2C(F)(F)F)cccc1-c1nn[n-]n1 ZINC000826370862 609476333 /nfs/dbraw/zinc/47/63/33/609476333.db2.gz JYZFPHNKJTXIPT-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Cc1ccc(NCc2cccc(-c3nnn[n-]3)c2F)cc1OC(F)F ZINC000826291471 609479402 /nfs/dbraw/zinc/47/94/02/609479402.db2.gz IBRPPZWYGDKCEU-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM Cc1ccc(NCc2cccc(-c3nn[n-]n3)c2F)cc1OC(F)F ZINC000826291471 609479405 /nfs/dbraw/zinc/47/94/05/609479405.db2.gz IBRPPZWYGDKCEU-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM CSc1cccc(NCc2cccc(-c3nnn[n-]3)c2F)c1C ZINC000826230959 609482068 /nfs/dbraw/zinc/48/20/68/609482068.db2.gz QOLQKXIXRMNTCB-UHFFFAOYSA-N -1 3 329.404 3.648 20 0 EHADHM CSc1cccc(NCc2cccc(-c3nn[n-]n3)c2F)c1C ZINC000826230959 609482071 /nfs/dbraw/zinc/48/20/71/609482071.db2.gz QOLQKXIXRMNTCB-UHFFFAOYSA-N -1 3 329.404 3.648 20 0 EHADHM Cc1c(NCc2csc(-c3ccccc3)n2)cccc1-c1nnn[n-]1 ZINC000826243007 609486550 /nfs/dbraw/zinc/48/65/50/609486550.db2.gz PRYLPKQSBIWAHQ-UHFFFAOYSA-N -1 3 348.435 3.911 20 0 EHADHM Cc1c(NCc2csc(-c3ccccc3)n2)cccc1-c1nn[n-]n1 ZINC000826243007 609486552 /nfs/dbraw/zinc/48/65/52/609486552.db2.gz PRYLPKQSBIWAHQ-UHFFFAOYSA-N -1 3 348.435 3.911 20 0 EHADHM CC[C@H](Nc1nccc(C)c1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000825149104 609525903 /nfs/dbraw/zinc/52/59/03/609525903.db2.gz VHYCCVXMKFSUIJ-ZDUSSCGKSA-N -1 3 328.807 3.787 20 0 EHADHM CC[C@H](Nc1nccc(C)c1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000825149104 609525904 /nfs/dbraw/zinc/52/59/04/609525904.db2.gz VHYCCVXMKFSUIJ-ZDUSSCGKSA-N -1 3 328.807 3.787 20 0 EHADHM COc1ccc2c(c1)[C@H](NCc1ccc(C(=O)[O-])cc1)CCS2 ZINC001611057912 970872179 /nfs/dbraw/zinc/87/21/79/970872179.db2.gz VYCDUCSRJRWBSX-MRXNPFEDSA-N -1 3 329.421 3.720 20 0 EHADHM COc1ccc(C(=O)[O-])cc1CN1CC[C@@H](C(F)(F)F)C1(C)C ZINC000324168023 971091627 /nfs/dbraw/zinc/09/16/27/971091627.db2.gz QLZGDPDZIJDMDZ-CYBMUJFWSA-N -1 3 331.334 3.556 20 0 EHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(F)ccc1-c1ccoc1 ZINC000366376741 944630224 /nfs/dbraw/zinc/63/02/24/944630224.db2.gz QBXQOSOZPUAVLB-UHFFFAOYSA-N -1 3 349.325 3.518 20 0 EHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1-c1ccoc1 ZINC000366376741 944630238 /nfs/dbraw/zinc/63/02/38/944630238.db2.gz QBXQOSOZPUAVLB-UHFFFAOYSA-N -1 3 349.325 3.518 20 0 EHADHM CCS[C@@H]1CCC[C@@H]1Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000821455897 945700318 /nfs/dbraw/zinc/70/03/18/945700318.db2.gz MMMUJCIENOJZFG-LSDHHAIUSA-N -1 3 340.456 3.501 20 0 EHADHM CCS[C@@H]1CCC[C@@H]1Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000821455897 945700324 /nfs/dbraw/zinc/70/03/24/945700324.db2.gz MMMUJCIENOJZFG-LSDHHAIUSA-N -1 3 340.456 3.501 20 0 EHADHM Cc1cnc(COc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)o1 ZINC000822395283 946080628 /nfs/dbraw/zinc/08/06/28/946080628.db2.gz ZWCSIXIEBHSWMU-UHFFFAOYSA-N -1 3 349.350 3.534 20 0 EHADHM Cc1cnc(COc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)o1 ZINC000822395283 946080643 /nfs/dbraw/zinc/08/06/43/946080643.db2.gz ZWCSIXIEBHSWMU-UHFFFAOYSA-N -1 3 349.350 3.534 20 0 EHADHM CC(=O)c1ccc(-c2nnn[n-]2)c(N[C@@H](C)CCc2ccccc2)c1 ZINC000824014945 946553409 /nfs/dbraw/zinc/55/34/09/946553409.db2.gz OWJHCAIBMQWIEH-ZDUSSCGKSA-N -1 3 335.411 3.503 20 0 EHADHM CC(=O)c1ccc(-c2nn[n-]n2)c(N[C@@H](C)CCc2ccccc2)c1 ZINC000824014945 946553417 /nfs/dbraw/zinc/55/34/17/946553417.db2.gz OWJHCAIBMQWIEH-ZDUSSCGKSA-N -1 3 335.411 3.503 20 0 EHADHM C[C@@H]1CCC[C@H]1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000824928823 946997042 /nfs/dbraw/zinc/99/70/42/946997042.db2.gz VABIGZTYXXYRJA-GHMZBOCLSA-N -1 3 345.472 3.572 20 0 EHADHM C[C@@H]1CCC[C@H]1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000824928823 946997050 /nfs/dbraw/zinc/99/70/50/946997050.db2.gz VABIGZTYXXYRJA-GHMZBOCLSA-N -1 3 345.472 3.572 20 0 EHADHM CSc1ccc(C)c(NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000826230327 947675646 /nfs/dbraw/zinc/67/56/46/947675646.db2.gz NRWLRXZTHQFGGB-UHFFFAOYSA-N -1 3 329.404 3.648 20 0 EHADHM CSc1ccc(C)c(NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000826230327 947675651 /nfs/dbraw/zinc/67/56/51/947675651.db2.gz NRWLRXZTHQFGGB-UHFFFAOYSA-N -1 3 329.404 3.648 20 0 EHADHM C/C(=C/Cl)CSCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC001573366484 947743667 /nfs/dbraw/zinc/74/36/67/947743667.db2.gz RDCLNADVFORJEW-YVMONPNESA-N -1 3 346.790 3.844 20 0 EHADHM C/C(=C/Cl)CSCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC001573366484 947743671 /nfs/dbraw/zinc/74/36/71/947743671.db2.gz RDCLNADVFORJEW-YVMONPNESA-N -1 3 346.790 3.844 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H](C)c2ccccc2C(F)(F)F)n1 ZINC000826274802 947793888 /nfs/dbraw/zinc/79/38/88/947793888.db2.gz FSURSGNUUJQNPM-JTQLQIEISA-N -1 3 348.332 3.762 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H](C)c2ccccc2C(F)(F)F)n1 ZINC000826274802 947793896 /nfs/dbraw/zinc/79/38/96/947793896.db2.gz FSURSGNUUJQNPM-JTQLQIEISA-N -1 3 348.332 3.762 20 0 EHADHM Cc1ccnc(N[C@H](C)c2ccccc2C(F)(F)F)c1-c1nnn[n-]1 ZINC000826312216 947905086 /nfs/dbraw/zinc/90/50/86/947905086.db2.gz YOLRCSKEVGQGFY-SNVBAGLBSA-N -1 3 348.332 3.762 20 0 EHADHM Cc1ccnc(N[C@H](C)c2ccccc2C(F)(F)F)c1-c1nn[n-]n1 ZINC000826312216 947905093 /nfs/dbraw/zinc/90/50/93/947905093.db2.gz YOLRCSKEVGQGFY-SNVBAGLBSA-N -1 3 348.332 3.762 20 0 EHADHM Cc1nc(CCSc2cccc(Cl)c2-c2nnn[n-]2)cs1 ZINC000826325889 947950857 /nfs/dbraw/zinc/95/08/57/947950857.db2.gz PTNFCFRAWLNDRW-UHFFFAOYSA-N -1 3 337.861 3.620 20 0 EHADHM Cc1nc(CCSc2cccc(Cl)c2-c2nn[n-]n2)cs1 ZINC000826325889 947950860 /nfs/dbraw/zinc/95/08/60/947950860.db2.gz PTNFCFRAWLNDRW-UHFFFAOYSA-N -1 3 337.861 3.620 20 0 EHADHM Cc1sc(NC(=O)CCCc2ccsc2)c(-c2nnn[n-]2)c1C ZINC000826349800 948092418 /nfs/dbraw/zinc/09/24/18/948092418.db2.gz VGMYGZGWLWABJD-UHFFFAOYSA-N -1 3 347.469 3.568 20 0 EHADHM Cc1sc(NC(=O)CCCc2ccsc2)c(-c2nn[n-]n2)c1C ZINC000826349800 948092429 /nfs/dbraw/zinc/09/24/29/948092429.db2.gz VGMYGZGWLWABJD-UHFFFAOYSA-N -1 3 347.469 3.568 20 0 EHADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2cc(Br)cs2)C1 ZINC000062877219 948964401 /nfs/dbraw/zinc/96/44/01/948964401.db2.gz IQRRITSDWJROMS-CYBMUJFWSA-N -1 3 332.263 3.587 20 0 EHADHM C[C@H](N(C)c1cc(Br)ccc1-c1nnn[n-]1)C(C)(C)C ZINC001575248245 949063828 /nfs/dbraw/zinc/06/38/28/949063828.db2.gz PXYXEWFVSRQVLI-VIFPVBQESA-N -1 3 338.253 3.500 20 0 EHADHM C[C@H](N(C)c1cc(Br)ccc1-c1nn[n-]n1)C(C)(C)C ZINC001575248245 949063845 /nfs/dbraw/zinc/06/38/45/949063845.db2.gz PXYXEWFVSRQVLI-VIFPVBQESA-N -1 3 338.253 3.500 20 0 EHADHM O=C([O-])c1ccccc1C1CCN(Cc2ccc3c(n2)CCC3)CC1 ZINC001595253883 949569294 /nfs/dbraw/zinc/56/92/94/949569294.db2.gz HDEFBBLOZMNWLS-UHFFFAOYSA-N -1 3 336.435 3.648 20 0 EHADHM C[C@@H](c1cccc(Br)c1)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000302493632 950567084 /nfs/dbraw/zinc/56/70/84/950567084.db2.gz JMYQHPXCLLSKLI-SUNKGSAMSA-N -1 3 326.234 3.553 20 0 EHADHM Cc1ccc(OCc2nc(CNC3(C(=O)[O-])CCCC3)cs2)cc1 ZINC000340680140 951131206 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O=C([O-])c1cccc(CN[C@@H](c2ccccc2)C2(CO)CCCC2)c1 ZINC000263393393 962555313 /nfs/dbraw/zinc/55/53/13/962555313.db2.gz FWPRSJLVZWEYHO-IBGZPJMESA-N -1 3 339.435 3.768 20 0 EHADHM CCCCOc1ccc(CN2CCC(C(=O)[O-])CC2)cc1OCC ZINC000263415515 962586094 /nfs/dbraw/zinc/58/60/94/962586094.db2.gz NCGZXJKYWBYEQD-UHFFFAOYSA-N -1 3 335.444 3.561 20 0 EHADHM COc1cc(CNCc2cccc(C(=O)[O-])c2)cc(C(F)(F)F)c1 ZINC001574185654 962829581 /nfs/dbraw/zinc/82/95/81/962829581.db2.gz YDPNFLCDYHAEAK-UHFFFAOYSA-N -1 3 339.313 3.702 20 0 EHADHM C[C@H](c1ccc(Br)cc1)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000311385535 967948124 /nfs/dbraw/zinc/94/81/24/967948124.db2.gz OUENLLMFBUJWOD-GYSYKLTISA-N -1 3 326.234 3.553 20 0 EHADHM CC[C@@]1(C(=O)[O-])CCCN([C@@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000923468952 969650788 /nfs/dbraw/zinc/65/07/88/969650788.db2.gz RMELKXRNTRFYPH-IFXJQAMLSA-N -1 3 343.427 3.683 20 0 EHADHM C[C@]1(C(=O)[O-])CCCN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000320576232 970680789 /nfs/dbraw/zinc/68/07/89/970680789.db2.gz 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CC[C@](NCc1cnn(C(C)(C)C)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000901871427 980583819 /nfs/dbraw/zinc/58/38/19/980583819.db2.gz CZWUFPDFMUIXQB-GOSISDBHSA-N -1 3 349.862 3.771 20 0 EHADHM O=C([O-])c1ccc2c(c1)[C@@H](CNCc1csc(C3CC3)n1)CCC2 ZINC000901876362 980592191 /nfs/dbraw/zinc/59/21/91/980592191.db2.gz DNDURQKNWIGHOG-OAHLLOKOSA-N -1 3 342.464 3.928 20 0 EHADHM Cc1cc(CNCCc2coc(-c3ccc(C)cc3)n2)oc1C(=O)[O-] ZINC000902209229 980784687 /nfs/dbraw/zinc/78/46/87/980784687.db2.gz UGBJIUABULHZNM-UHFFFAOYSA-N -1 3 340.379 3.582 20 0 EHADHM CC[C@H](NCc1ccc(O[C@H](C)C(=O)[O-])cc1)c1ccccc1OC ZINC000902357110 980850598 /nfs/dbraw/zinc/85/05/98/980850598.db2.gz WCDPIQKKDXZILT-KDOFPFPSSA-N -1 3 343.423 3.788 20 0 EHADHM CC(C)(CCNCc1csc(CCc2ccccc2)n1)C(=O)[O-] ZINC000902363766 980853861 /nfs/dbraw/zinc/85/38/61/980853861.db2.gz LFRMEUPINOZZEJ-UHFFFAOYSA-N -1 3 332.469 3.519 20 0 EHADHM CC1(C)CC[C@@H](CNCc2ccc(-c3ccc(C(=O)[O-])cc3)o2)OC1 ZINC000902505670 980912785 /nfs/dbraw/zinc/91/27/85/980912785.db2.gz 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EHADHM CSC[C@@H]1CCCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC001599794101 988063626 /nfs/dbraw/zinc/06/36/26/988063626.db2.gz HNWMSNGWDDYECC-YGRLFVJLSA-N -1 3 331.840 3.680 20 0 EHADHM CC(C)(C)CN(CC(=O)Nc1ccccc1C(=O)[O-])CC(C)(C)C ZINC001589780187 988149392 /nfs/dbraw/zinc/14/93/92/988149392.db2.gz QNLXPCBXMBVICO-UHFFFAOYSA-N -1 3 334.460 3.718 20 0 EHADHM Cc1cnn(-c2ccc(C(=O)Nc3ccc(Cl)cc3[O-])cc2)c1 ZINC000153487386 1125503242 /nfs/dbraw/zinc/50/32/42/1125503242.db2.gz PWYZNYSRHCVWFB-UHFFFAOYSA-N -1 3 327.771 3.792 20 0 EHADHM C[C@@H](N[C@@H](C(=O)[O-])c1ccsc1)c1ccc(-n2cccn2)c(F)c1 ZINC001599841300 988838611 /nfs/dbraw/zinc/83/86/11/988838611.db2.gz YDJVFAPDSQFPMI-BDJLRTHQSA-N -1 3 345.399 3.549 20 0 EHADHM CC(C)C(=O)CCN(C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001590928168 990939469 /nfs/dbraw/zinc/93/94/69/990939469.db2.gz VGFSHEDHNNRNAC-AWEZNQCLSA-N -1 3 332.227 3.666 20 0 EHADHM CC(C)CCOC1CCN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)CC1 ZINC001591256463 992156123 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EHADHM COc1cccc([C@@H](NCc2ccccc2COC(C)C)C(=O)[O-])c1 ZINC001599658178 994614570 /nfs/dbraw/zinc/61/45/70/994614570.db2.gz ADAFSTMTJMXFSQ-LJQANCHMSA-N -1 3 343.423 3.536 20 0 EHADHM COc1cccc([C@@H](NCc2cccc(OCC(C)C)c2)C(=O)[O-])c1 ZINC001599659200 994629569 /nfs/dbraw/zinc/62/95/69/994629569.db2.gz IJSXDIRGZUKOLX-LJQANCHMSA-N -1 3 343.423 3.646 20 0 EHADHM O=C(Nc1ccc2[nH]c(C3CCCCC3)nc2c1)c1cncc([O-])c1 ZINC000339909453 1015884705 /nfs/dbraw/zinc/88/47/05/1015884705.db2.gz ADUPVBKBZFJLOX-UHFFFAOYSA-N -1 3 336.395 3.964 20 0 EHADHM O=C(Nc1ccc2nc(C3CCCCC3)[nH]c2c1)c1cncc([O-])c1 ZINC000339909453 1015884720 /nfs/dbraw/zinc/88/47/20/1015884720.db2.gz ADUPVBKBZFJLOX-UHFFFAOYSA-N -1 3 336.395 3.964 20 0 EHADHM COc1cccc2c1CC[C@@H]2NCc1cccc([O-])c1Br ZINC000459446355 1032132768 /nfs/dbraw/zinc/13/27/68/1032132768.db2.gz PQOOIYQRMZJANV-AWEZNQCLSA-N -1 3 348.240 3.940 20 0 EHADHM C[C@H](Oc1ccc(CNCc2ccc(C(C)(F)F)cc2)cc1)C(=O)[O-] ZINC001593617546 995851858 /nfs/dbraw/zinc/85/18/58/995851858.db2.gz 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341.226 3.690 20 0 EHADHM O=S(=O)(Cc1csc(-c2ccccc2F)n1)c1cccc([O-])c1 ZINC000184000874 1032222610 /nfs/dbraw/zinc/22/26/10/1032222610.db2.gz VGZSIIWSTWKHAW-UHFFFAOYSA-N -1 3 349.408 3.629 20 0 EHADHM C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1cccc([O-])c1Br ZINC000459533248 1032253832 /nfs/dbraw/zinc/25/38/32/1032253832.db2.gz SEGNHJCAGXMABN-WPRPVWTQSA-N -1 3 338.167 3.927 20 0 EHADHM COc1ccc(C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)c([O-])c1 ZINC000081676948 1032345896 /nfs/dbraw/zinc/34/58/96/1032345896.db2.gz KAKDUJXXIMQTSR-UHFFFAOYSA-N -1 3 343.810 3.984 20 0 EHADHM CCc1cccc(C(=O)Nc2cccc(CN(CC)C(C)=O)c2)c1[O-] ZINC000081733580 1032349371 /nfs/dbraw/zinc/34/93/71/1032349371.db2.gz RZNRLTAYOKNDMS-UHFFFAOYSA-N -1 3 340.423 3.575 20 0 EHADHM O=S(=O)([N-][C@@H](c1ccccn1)C1CCC1)c1ccc(Cl)s1 ZINC000528499012 1032361003 /nfs/dbraw/zinc/36/10/03/1032361003.db2.gz HCEZZPGUVBIVMR-CQSZACIVSA-N -1 3 342.873 3.616 20 0 EHADHM Cc1ccc([C@@H](C)N(C)C(=O)c2cc3c(cc2[O-])OCO3)c(C)c1 ZINC000436756760 1032393281 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Cc1ccc2c(c1)[C@H](NCc1ncc(Br)cc1[O-])CC2 ZINC000892921577 1017720527 /nfs/dbraw/zinc/72/05/27/1017720527.db2.gz WLYJTWGVTDZFCJ-CQSZACIVSA-N -1 3 333.229 3.635 20 0 EHADHM COc1ccc(OCc2nc(=O)c3c(CC(C)C)csc3[n-]2)cc1 ZINC000063579633 1018422836 /nfs/dbraw/zinc/42/28/36/1018422836.db2.gz ICAVIEJXIJPPTO-UHFFFAOYSA-N -1 3 344.436 3.771 20 0 EHADHM C[C@@H]1CC(F)(F)CCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000528765790 1032765771 /nfs/dbraw/zinc/76/57/71/1032765771.db2.gz FSVTWWWFKVRNLN-SNVBAGLBSA-N -1 3 333.338 3.701 20 0 EHADHM CC(C)Oc1ccccc1[C@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000606639960 1032774469 /nfs/dbraw/zinc/77/44/69/1032774469.db2.gz ZLIYQEWMIUDNQA-ZDUSSCGKSA-N -1 3 346.402 3.879 20 0 EHADHM CCOC(=O)c1c(C)csc1[N-]C(=O)c1c(C)noc1C(F)F ZINC000610432194 1019092585 /nfs/dbraw/zinc/09/25/85/1019092585.db2.gz SDMJCFKEDJWVFA-UHFFFAOYSA-N -1 3 344.339 3.720 20 0 EHADHM O=c1cc(COc2cc(Br)ccc2F)nc(C2CC2)[n-]1 ZINC000413005751 1019395800 /nfs/dbraw/zinc/39/58/00/1019395800.db2.gz ZZZFWCCLPJEPMI-UHFFFAOYSA-N -1 3 339.164 3.540 20 0 EHADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc3nccn3c2)cc1 ZINC000606752469 1032831561 /nfs/dbraw/zinc/83/15/61/1032831561.db2.gz OUHRHTNMKBTTLS-ZDUSSCGKSA-N -1 3 329.425 3.649 20 0 EHADHM O=S(=O)([N-]CCCc1cccc(F)c1)c1cc(F)ccc1Cl ZINC000598018135 1032843685 /nfs/dbraw/zinc/84/36/85/1032843685.db2.gz MRANZLIXUSXSAA-UHFFFAOYSA-N -1 3 345.798 3.529 20 0 EHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cccc(COCc2ccco2)c1 ZINC000155785338 1019642586 /nfs/dbraw/zinc/64/25/86/1019642586.db2.gz PXKWFBXWCWTFFW-QGZVFWFLSA-N -1 3 346.383 3.576 20 0 EHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cccc(COCc2ccco2)c1 ZINC000155785338 1019642602 /nfs/dbraw/zinc/64/26/02/1019642602.db2.gz PXKWFBXWCWTFFW-QGZVFWFLSA-N -1 3 346.383 3.576 20 0 EHADHM O=C([O-])[C@@H]1CN(Cc2cc(Cl)ccc2F)C[C@@H]1c1ccccc1 ZINC000580561019 1019643173 /nfs/dbraw/zinc/64/31/73/1019643173.db2.gz HYECLSHXTXQHQW-HZPDHXFCSA-N -1 3 333.790 3.779 20 0 EHADHM Cc1ccc(NC(=O)Cc2nc(=O)c3c4ccccc4sc3[n-]2)cc1 ZINC000077251857 1019700614 /nfs/dbraw/zinc/70/06/14/1019700614.db2.gz WBCOQRXGDXHFCP-UHFFFAOYSA-N -1 3 349.415 3.627 20 0 EHADHM CCCCc1cc([N-]S(=O)(=O)C=Cc2ccc(Cl)cc2)n[nH]1 ZINC000760322750 1032856446 /nfs/dbraw/zinc/85/64/46/1032856446.db2.gz MHKIUZVKUHMCSX-KTKRTIGZSA-N -1 3 339.848 3.818 20 0 EHADHM [O-]c1cccc(CN2CCC[C@H](OC3CCC3)C2)c1Br ZINC000656271644 1019847745 /nfs/dbraw/zinc/84/77/45/1019847745.db2.gz QKFOOWRNDMPJJH-AWEZNQCLSA-N -1 3 340.261 3.688 20 0 EHADHM Cc1ccccc1-c1cc(=NC(=O)Cc2ccc(Cl)s2)[nH][n-]1 ZINC000513638773 1019899377 /nfs/dbraw/zinc/89/93/77/1019899377.db2.gz VSDHBJWYOSLGJM-UHFFFAOYSA-N -1 3 331.828 3.703 20 0 EHADHM COc1cc([C@@H](C)N[C@H](C)c2nc(C)cc(=O)[n-]2)ccc1OC(C)C ZINC000684094857 1020145445 /nfs/dbraw/zinc/14/54/45/1020145445.db2.gz WUZVVLOJKBIPRO-ZIAGYGMSSA-N -1 3 345.443 3.698 20 0 EHADHM CC[C@]1(C(=O)[O-])CCCN(Cc2ccc(Br)s2)C1 ZINC000062877663 1032883810 /nfs/dbraw/zinc/88/38/10/1032883810.db2.gz AOVQDEDKEYTMNJ-ZDUSSCGKSA-N -1 3 332.263 3.587 20 0 EHADHM CCn1c2ccccc2nc1SCC(=O)Nc1cccc([O-])c1F ZINC000128316692 1020492135 /nfs/dbraw/zinc/49/21/35/1020492135.db2.gz RSJYTGMEVHINFO-UHFFFAOYSA-N -1 3 345.399 3.632 20 0 EHADHM CCOc1cc(CN2CCOC[C@@H]2c2ccco2)cc(Cl)c1[O-] ZINC000656438633 1020575107 /nfs/dbraw/zinc/57/51/07/1020575107.db2.gz YUXKRBZCGXRRQH-CQSZACIVSA-N -1 3 337.803 3.611 20 0 EHADHM Oc1[n-]c(SCc2cc(Cl)cc3cccnc32)nc2nncc1-2 ZINC000340912009 1020589369 /nfs/dbraw/zinc/58/93/69/1020589369.db2.gz MCOCCVFCTXSQLE-UHFFFAOYSA-N -1 3 343.799 3.552 20 0 EHADHM Cc1ccc([O-])c(NC(=O)c2csc(Cc3cccc(F)c3)n2)n1 ZINC000345949618 1020624571 /nfs/dbraw/zinc/62/45/71/1020624571.db2.gz XVRCZUBGYIRPHQ-UHFFFAOYSA-N -1 3 343.383 3.534 20 0 EHADHM CCOc1cc(CNc2cnc3c(c2)COCC3)cc(Cl)c1[O-] ZINC000656523572 1020819519 /nfs/dbraw/zinc/81/95/19/1020819519.db2.gz GZOAYEXGJVSADZ-UHFFFAOYSA-N -1 3 334.803 3.524 20 0 EHADHM Cc1coc(-c2ccc(C)c(NC([O-])=NO[C@@H]3CCCCO3)c2)n1 ZINC000156198736 1020863808 /nfs/dbraw/zinc/86/38/08/1020863808.db2.gz 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ZINC000436764621 1021213870 /nfs/dbraw/zinc/21/38/70/1021213870.db2.gz MQBLNFRHZXMELH-LLVKDONJSA-N -1 3 334.213 3.516 20 0 EHADHM C[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1cccnc1 ZINC000436789558 1021233773 /nfs/dbraw/zinc/23/37/73/1021233773.db2.gz DSRMNAXSWJVLLE-HNNXBMFYSA-N -1 3 332.403 3.869 20 0 EHADHM CCc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCO3)c([O-])c1 ZINC000436802654 1021248915 /nfs/dbraw/zinc/24/89/15/1021248915.db2.gz JTEZMVYXTSUANF-UHFFFAOYSA-N -1 3 333.771 3.632 20 0 EHADHM CCc1ccc(C(=O)Nc2ccc(-c3csnn3)cc2)c([O-])c1 ZINC000436807716 1021253801 /nfs/dbraw/zinc/25/38/01/1021253801.db2.gz LPLIUVMMLIOEHF-UHFFFAOYSA-N -1 3 325.393 3.725 20 0 EHADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(C(F)F)c1)c1ccccc1 ZINC000296140785 1021265247 /nfs/dbraw/zinc/26/52/47/1021265247.db2.gz ZSGXPSHVAPYPCH-HNNXBMFYSA-N -1 3 341.379 3.754 20 0 EHADHM CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1ccccc1[O-] ZINC000436832426 1021267592 /nfs/dbraw/zinc/26/75/92/1021267592.db2.gz VLJNOTAADINZKN-UHFFFAOYSA-N -1 3 339.313 3.606 20 0 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CC(=O)Nc1ccc([O-])c(C(=O)N(C)C/C(C)=C/c2ccccc2)c1 ZINC000427542557 1021457957 /nfs/dbraw/zinc/45/79/57/1021457957.db2.gz YPHAOSLOCCIXNQ-SDNWHVSQSA-N -1 3 338.407 3.526 20 0 EHADHM COC(=O)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)[n-]1 ZINC000426398755 1021487471 /nfs/dbraw/zinc/48/74/71/1021487471.db2.gz ZYBALNXHPALMOI-UHFFFAOYSA-N -1 3 337.257 3.537 20 0 EHADHM O=C(CCCc1ccc([O-])c(F)c1)NC1(Cc2ccccc2)CC1 ZINC000505943001 1021509948 /nfs/dbraw/zinc/50/99/48/1021509948.db2.gz UVGYGOZFICRBLH-UHFFFAOYSA-N -1 3 327.399 3.746 20 0 EHADHM Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2ccc(C)cc2[O-])cc1 ZINC000440670168 1021700022 /nfs/dbraw/zinc/70/00/22/1021700022.db2.gz NDSUXZYNZSQCFD-XLIONFOSSA-N -1 3 339.435 3.907 20 0 EHADHM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000437334130 1021743961 /nfs/dbraw/zinc/74/39/61/1021743961.db2.gz FDBIQSSCMMLUSP-UHFFFAOYSA-N -1 3 348.443 3.844 20 0 EHADHM COC(=O)c1ccc(-c2nc(C(C)(C)c3ccc(Cl)cc3)no2)[n-]1 ZINC000426634288 1022102852 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Cc1ccccc1C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000049335733 1022499757 /nfs/dbraw/zinc/49/97/57/1022499757.db2.gz GZKJTMZLELYYCL-NSHDSACASA-N -1 3 329.874 3.619 20 0 EHADHM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2ccc(Cl)s2)s1 ZINC000303835989 1022550794 /nfs/dbraw/zinc/55/07/94/1022550794.db2.gz RTDPFVFUCHPCGL-QMMMGPOBSA-N -1 3 335.903 3.681 20 0 EHADHM Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2cc(F)ccc2Cl)s1 ZINC000303882115 1022609151 /nfs/dbraw/zinc/60/91/51/1022609151.db2.gz YOXWUGQOHINVRT-SECBINFHSA-N -1 3 347.864 3.759 20 0 EHADHM C[C@@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])[C@@H](C)[C@H](C)O1 ZINC000438394780 1022634748 /nfs/dbraw/zinc/63/47/48/1022634748.db2.gz IKRFUDMUQHAOER-ILXRZTDVSA-N -1 3 341.407 3.822 20 0 EHADHM CC(=O)c1ccc(C(=O)N2C[C@H](c3ccc(C)cc3)C[C@@H]2C)cc1[O-] ZINC000331332195 1022788399 /nfs/dbraw/zinc/78/83/99/1022788399.db2.gz HXAJXIXIULBRLR-KBXCAEBGSA-N -1 3 337.419 3.921 20 0 EHADHM CC[C@H](c1ccncc1)N(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000345986779 1022795536 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[O-]c1cccc(CNCc2ccc3c(c2)CCCN3)c1Br ZINC000414977444 1023234415 /nfs/dbraw/zinc/23/44/15/1023234415.db2.gz KCFZXUHMWJBNJS-UHFFFAOYSA-N -1 3 347.256 3.803 20 0 EHADHM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1ccc2c(c1)CCCC2 ZINC000431167589 1023375217 /nfs/dbraw/zinc/37/52/17/1023375217.db2.gz ORXLUCZCYULJDT-UHFFFAOYSA-N -1 3 341.354 3.784 20 0 EHADHM Cc1cccc(C2=CCN(C(=O)NCc3ccc([O-])c(F)c3)CC2)c1 ZINC000092776992 1023425719 /nfs/dbraw/zinc/42/57/19/1023425719.db2.gz UEKGUQPMHVMEOT-UHFFFAOYSA-N -1 3 340.398 3.839 20 0 EHADHM O=C(Nc1ncccc1[O-])C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000341895296 1023669399 /nfs/dbraw/zinc/66/93/99/1023669399.db2.gz ZHKCAFMHSIBVGM-UHFFFAOYSA-N -1 3 336.313 3.866 20 0 EHADHM Cc1nc(-c2ccc(C)c(NC(=O)c3cc([O-])ccc3Cl)c2)n[nH]1 ZINC000342045537 1023772082 /nfs/dbraw/zinc/77/20/82/1023772082.db2.gz JAZTVYDMXLOZEM-UHFFFAOYSA-N -1 3 342.786 3.700 20 0 EHADHM COCc1nc(C(=O)[N-]c2c(F)cc(Cl)c(C)c2F)cs1 ZINC000342064932 1023814620 /nfs/dbraw/zinc/81/46/20/1023814620.db2.gz 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Cc1ccc([O-])c(CNCc2cc(F)c(C(F)(F)F)cc2F)n1 ZINC000342307175 1024794017 /nfs/dbraw/zinc/79/40/17/1024794017.db2.gz GRAJXLOAZLKFMS-UHFFFAOYSA-N -1 3 332.272 3.682 20 0 EHADHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1ccc([O-])c(F)c1 ZINC000427950025 1024900409 /nfs/dbraw/zinc/90/04/09/1024900409.db2.gz LGDGQRZUCTWDIG-SIIHOXLZSA-N -1 3 337.435 3.625 20 0 EHADHM Cc1nc2cc(NC(=O)c3c[n-]c4ccccc4c3=O)ccc2s1 ZINC000059083648 1033265460 /nfs/dbraw/zinc/26/54/60/1033265460.db2.gz NXDNVLOWZZVQKV-UHFFFAOYSA-N -1 3 335.388 3.699 20 0 EHADHM CO[C@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])[C@H](C)C1 ZINC000281694233 1025384480 /nfs/dbraw/zinc/38/44/80/1025384480.db2.gz GJBQGCSABUCCDE-ZBFHGGJFSA-N -1 3 341.407 3.824 20 0 EHADHM CC(C)C[C@@H]1CCCCN1C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000896446725 1025453923 /nfs/dbraw/zinc/45/39/23/1025453923.db2.gz XTNVJJUHDLQTSZ-LBPRGKRZSA-N -1 3 348.393 3.847 20 0 EHADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCCC1CCCCC1 ZINC000060944406 1033291378 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CC(C)CCc1nc(CN2Cc3nc(C4CC4)[n-]c(=O)c3C2)cs1 ZINC001175861746 1132787373 /nfs/dbraw/zinc/78/73/73/1132787373.db2.gz PVZGBCOIVDCTMN-UHFFFAOYSA-N -1 3 344.484 3.621 20 0 EHADHM Cc1nnc(-c2cccc(Nc3cc(=O)n(-c4ccccc4)[n-]3)c2)o1 ZINC001175991667 1132809296 /nfs/dbraw/zinc/80/92/96/1132809296.db2.gz JRLDPZZDKUNOCG-UHFFFAOYSA-N -1 3 333.351 3.680 20 0 EHADHM Cc1c(C)n(C2CCCC2)c2ncnc(NCc3ncccc3[O-])c12 ZINC001169730753 1132841937 /nfs/dbraw/zinc/84/19/37/1132841937.db2.gz GKKKHRZGIUWLTP-UHFFFAOYSA-N -1 3 337.427 3.876 20 0 EHADHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccccc1Cl)OCC ZINC001176551475 1132965637 /nfs/dbraw/zinc/96/56/37/1132965637.db2.gz QUEPKBMOHHCOPE-UHFFFAOYSA-N -1 3 337.807 3.521 20 0 EHADHM O=C(c1ccc([O-])cc1)C1CCN(Cc2ccc3c(c2)COC3)CC1 ZINC000768228034 1133114276 /nfs/dbraw/zinc/11/42/76/1133114276.db2.gz XRBLMSZHLUFLGX-UHFFFAOYSA-N -1 3 337.419 3.517 20 0 EHADHM CC[C@@H](NC(=O)c1cccc2n[n-]nc21)c1cccc2ccccc21 ZINC001178075697 1133132932 /nfs/dbraw/zinc/13/29/32/1133132932.db2.gz 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ZINC001180843602 1133418114 /nfs/dbraw/zinc/41/81/14/1133418114.db2.gz NXZQZZKTLPDIAE-AWEZNQCLSA-N -1 3 342.468 3.924 20 0 EHADHM O=C(Cc1ccc2cc[nH]c2c1)Nc1cc(Br)ccc1[O-] ZINC001181804678 1133529984 /nfs/dbraw/zinc/52/99/84/1133529984.db2.gz BNDXIPWVWZYRQE-UHFFFAOYSA-N -1 3 345.196 3.817 20 0 EHADHM CC(C)[C@@H](C(=O)Nc1cncc([O-])c1)c1ccc(Br)cc1 ZINC001182273056 1133609784 /nfs/dbraw/zinc/60/97/84/1133609784.db2.gz QZYOEJOHUYBRHC-OAHLLOKOSA-N -1 3 349.228 3.928 20 0 EHADHM C[C@H](CSC(=O)c1ccccc1)C(=O)Nc1ccc(F)c([O-])c1 ZINC001183086782 1133763678 /nfs/dbraw/zinc/76/36/78/1133763678.db2.gz GOAHNKQPVDLMKG-LLVKDONJSA-N -1 3 333.384 3.680 20 0 EHADHM Cc1ccc(C(=O)Nc2ccc(OC(=O)c3cncc([O-])c3)cc2)cc1 ZINC000786064836 1133792028 /nfs/dbraw/zinc/79/20/28/1133792028.db2.gz FWBVAZSXGBAWKB-UHFFFAOYSA-N -1 3 348.358 3.567 20 0 EHADHM O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1cc2occc2[n-]1 ZINC000786030072 1133793388 /nfs/dbraw/zinc/79/33/88/1133793388.db2.gz BLWLDSYUBVBARC-UHFFFAOYSA-N -1 3 343.726 3.821 20 0 EHADHM CC(C)(C)c1ccc(NC(=O)COC(=O)c2cc3occc3[n-]2)cc1 ZINC000786032974 1133794009 /nfs/dbraw/zinc/79/40/09/1133794009.db2.gz MBTGADUWWAXQIA-UHFFFAOYSA-N -1 3 340.379 3.854 20 0 EHADHM Cc1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])sn1 ZINC001183460934 1133810833 /nfs/dbraw/zinc/81/08/33/1133810833.db2.gz UHBMGWJJFJXYAJ-UHFFFAOYSA-N -1 3 340.404 3.988 20 0 EHADHM O=C(CCOc1ccccc1)[N-]OC/C=C/c1ccc(Cl)cc1 ZINC000786741475 1133893821 /nfs/dbraw/zinc/89/38/21/1133893821.db2.gz NPPZFSJBARYUMJ-SNAWJCMRSA-N -1 3 331.799 3.870 20 0 EHADHM CC(C)CCc1cc([N-]S(=O)(=O)C=Cc2ccc(F)cc2)n[nH]1 ZINC000786896052 1133918165 /nfs/dbraw/zinc/91/81/65/1133918165.db2.gz GWUNMRMRRYJZBS-MDZDMXLPSA-N -1 3 337.420 3.550 20 0 EHADHM CCc1ccc(C(=O)N2[C@H](C)CO[C@H](c3ccccc3)[C@@H]2C)c([O-])c1 ZINC000786950648 1133924864 /nfs/dbraw/zinc/92/48/64/1133924864.db2.gz ODNRQPJWFYOXOW-SIFCLUCFSA-N -1 3 339.435 3.945 20 0 EHADHM CCc1ccc(C(=O)Nc2cccc(SC(=O)N(C)C)c2)c([O-])c1 ZINC000786926954 1133929063 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Cc1ccccc1OCCNC(=O)c1cc2sccc2c([O-])c1 ZINC000788290314 1134108908 /nfs/dbraw/zinc/10/89/08/1134108908.db2.gz LKMYKOFJCAFOFD-UHFFFAOYSA-N -1 3 327.405 3.724 20 0 EHADHM COc1ccc(CNC(=O)Nc2ccc(C(F)(F)F)cc2[O-])cc1 ZINC001185546740 1134110332 /nfs/dbraw/zinc/11/03/32/1134110332.db2.gz VFDHDLCXUFQPRC-UHFFFAOYSA-N -1 3 340.301 3.741 20 0 EHADHM O=C([N-]c1nc(F)c(F)c(Cl)c1F)c1scnc1C1CC1 ZINC001185674233 1134123550 /nfs/dbraw/zinc/12/35/50/1134123550.db2.gz VPXWHISSNMDDFZ-UHFFFAOYSA-N -1 3 333.722 3.739 20 0 EHADHM Cc1cc(Cl)nc(Cl)c1[N-]S(=O)(=O)c1cccc(F)c1C ZINC001185796133 1134133775 /nfs/dbraw/zinc/13/37/75/1134133775.db2.gz CVLKWVZUVMYOEH-UHFFFAOYSA-N -1 3 349.214 3.945 20 0 EHADHM Cc1ccc(CC(=O)[N-]OCC[C@@H](C)OCc2ccccc2)cc1 ZINC000788785827 1134175661 /nfs/dbraw/zinc/17/56/61/1134175661.db2.gz GIQINUKIRBXFGO-QGZVFWFLSA-N -1 3 327.424 3.581 20 0 EHADHM Cc1cc(S(=O)(=O)[N-]CCSC(C)(C)C)sc1Cl ZINC000788885280 1134187800 /nfs/dbraw/zinc/18/78/00/1134187800.db2.gz FSRVLUVYWICEBJ-UHFFFAOYSA-N -1 3 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Cc1cccnc1[C@@H](NCc1cc(=O)oc2cc([O-])ccc12)C(C)C ZINC000120794067 1137952482 /nfs/dbraw/zinc/95/24/82/1137952482.db2.gz SKKUZHUUQGYUOL-IBGZPJMESA-N -1 3 338.407 3.689 20 0 EHADHM Clc1ccc(Oc2ccc(-c3noc(-c4cnn[n-]4)n3)cc2)cc1 ZINC001212800052 1137959389 /nfs/dbraw/zinc/95/93/89/1137959389.db2.gz LXCOATFGIODNRA-UHFFFAOYSA-N -1 3 339.742 3.967 20 0 EHADHM Clc1ccc(Oc2ccc(-c3noc(-c4c[n-]nn4)n3)cc2)cc1 ZINC001212800052 1137959390 /nfs/dbraw/zinc/95/93/90/1137959390.db2.gz LXCOATFGIODNRA-UHFFFAOYSA-N -1 3 339.742 3.967 20 0 EHADHM C[C@@H]1CCCC[C@@H]1CC(=O)OCc1nnc(-c2ccccc2[O-])o1 ZINC000884472879 1137960709 /nfs/dbraw/zinc/96/07/09/1137960709.db2.gz KSTCPDAAEZGPQR-CHWSQXEVSA-N -1 3 330.384 3.702 20 0 EHADHM CCC[C@H]1CCC[C@H]1C(=O)OCc1nnc(-c2ccccc2[O-])o1 ZINC000884531536 1137962356 /nfs/dbraw/zinc/96/23/56/1137962356.db2.gz OYSZHMMXEIKIHW-QWHCGFSZSA-N -1 3 330.384 3.702 20 0 EHADHM CCCCO[C@@H]1C[C@@H](NC(=O)c2cc(SC)ccc2[O-])C1(C)C ZINC001137220659 1138020950 /nfs/dbraw/zinc/02/09/50/1138020950.db2.gz SFTOPRVGDYJTJX-HZPDHXFCSA-N -1 3 337.485 3.828 20 0 EHADHM Cc1ccc([O-])c(CN[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)n1 ZINC000348358468 1138030145 /nfs/dbraw/zinc/03/01/45/1138030145.db2.gz KKRNFIBEQFUHRT-NSHDSACASA-N -1 3 344.802 3.650 20 0 EHADHM CC(C)(C)c1nnc([N-]C(=O)c2nc(Cl)ccc2Cl)s1 ZINC000048748837 1138043276 /nfs/dbraw/zinc/04/32/76/1138043276.db2.gz IHISHGQCFDXVQB-UHFFFAOYSA-N -1 3 331.228 3.790 20 0 EHADHM O=c1[n-]c(CN2CCCC[C@@H]2C(F)F)nc2c3ccccc3oc21 ZINC000337532535 1138597028 /nfs/dbraw/zinc/59/70/28/1138597028.db2.gz VYXFLQBBTGPZCN-LLVKDONJSA-N -1 3 333.338 3.701 20 0 EHADHM CSc1ccccc1[C@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000337570332 1138608875 /nfs/dbraw/zinc/60/88/75/1138608875.db2.gz YXDHNSQZRIMAOU-LBPRGKRZSA-N -1 3 338.432 3.741 20 0 EHADHM COc1ccc(N[C@@H](C)c2cccc(C)c2)cc1[N-]S(C)(=O)=O ZINC000173879891 1139383742 /nfs/dbraw/zinc/38/37/42/1139383742.db2.gz ZMAIDBGECLQZDB-ZDUSSCGKSA-N -1 3 334.441 3.548 20 0 EHADHM CC(C)c1noc([C@H](C)O[N-]C(=O)Cc2cccc3ccccc32)n1 ZINC000174119356 1139400260 /nfs/dbraw/zinc/40/02/60/1139400260.db2.gz DYZXUZWVYSNCCP-ZDUSSCGKSA-N -1 3 339.395 3.698 20 0 EHADHM Fc1ccc(-c2ccc(C[N-]c3nnc([C@@H]4CCCO4)o3)o2)cc1 ZINC000181799856 1139931448 /nfs/dbraw/zinc/93/14/48/1139931448.db2.gz KZKDMJNMXLZBNX-HNNXBMFYSA-N -1 3 329.331 3.932 20 0 EHADHM COc1cc2nc(-c3cccc(C(F)F)c3)[n-]c(=O)c2cc1OC ZINC000777402452 1140087079 /nfs/dbraw/zinc/08/70/79/1140087079.db2.gz JEJGBVJLIQXDHP-UHFFFAOYSA-N -1 3 332.306 3.957 20 0 EHADHM O=C([N-]c1ncn(C2CCCCC2)n1)c1nc(Cl)ccc1Cl ZINC000184897702 1140124626 /nfs/dbraw/zinc/12/46/26/1140124626.db2.gz PBXPFECJMRTBDZ-UHFFFAOYSA-N -1 3 340.214 3.737 20 0 EHADHM COCC1=CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000185393448 1140148514 /nfs/dbraw/zinc/14/85/14/1140148514.db2.gz QQXHTZDJCRYFHQ-UHFFFAOYSA-N -1 3 339.391 3.603 20 0 EHADHM COc1ccc(NCc2cc([O-])cc(F)c2)cc1N1CCCCC1=O ZINC000185481536 1140152267 /nfs/dbraw/zinc/15/22/67/1140152267.db2.gz ONHXYZOZZZBCHY-UHFFFAOYSA-N -1 3 344.386 3.669 20 0 EHADHM Cc1c(NCc2cc([O-])cc(F)c2)cccc1C(=O)N1CCCC1 ZINC000185592708 1140157607 /nfs/dbraw/zinc/15/76/07/1140157607.db2.gz PVSIGJMZALHPDJ-UHFFFAOYSA-N -1 3 328.387 3.688 20 0 EHADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)Cc2csc(Br)c2)n1 ZINC000192553043 1140537272 /nfs/dbraw/zinc/53/72/72/1140537272.db2.gz MLGNPILAHSQTLP-SECBINFHSA-N -1 3 342.262 3.508 20 0 EHADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CCCc2cccnc21 ZINC000192827034 1140552407 /nfs/dbraw/zinc/55/24/07/1140552407.db2.gz QOZNAWHQFGKLGR-LBPRGKRZSA-N -1 3 347.212 3.608 20 0 EHADHM Cc1csc(C2([N-]S(=O)(=O)c3ccc(Cl)s3)CCC2)n1 ZINC000266857683 1140730073 /nfs/dbraw/zinc/73/00/73/1140730073.db2.gz VFEWTULGRLCCLF-UHFFFAOYSA-N -1 3 348.902 3.524 20 0 EHADHM Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000271558411 1141396694 /nfs/dbraw/zinc/39/66/94/1141396694.db2.gz MTIDPUDLRDAHFP-MRXNPFEDSA-N -1 3 327.428 3.833 20 0 EHADHM O=C(CCC1CC1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737824411 599003856 /nfs/dbraw/zinc/00/38/56/599003856.db2.gz RKBZAHXKCVGVIT-UHFFFAOYSA-N -1 3 349.394 3.788 20 0 EHADHM O=C(CCC1CC1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737824411 599003858 /nfs/dbraw/zinc/00/38/58/599003858.db2.gz RKBZAHXKCVGVIT-UHFFFAOYSA-N -1 3 349.394 3.788 20 0 EHADHM C[C@@H](Nc1ccccc1OCC1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736139240 599009330 /nfs/dbraw/zinc/00/93/30/599009330.db2.gz USPGNNDBHAPVQQ-CYBMUJFWSA-N -1 3 335.411 3.829 20 0 EHADHM C[C@@H](Nc1ccccc1OCC1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736139240 599009332 /nfs/dbraw/zinc/00/93/32/599009332.db2.gz USPGNNDBHAPVQQ-CYBMUJFWSA-N -1 3 335.411 3.829 20 0 EHADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CC[C@H](c3ccccc3)[C@@H](C)C2)n1 ZINC000822191621 599051040 /nfs/dbraw/zinc/05/10/40/599051040.db2.gz MCFZRWRAYVZKSY-YOEHRIQHSA-N -1 3 348.454 3.509 20 0 EHADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CC[C@H](c3ccccc3)[C@@H](C)C2)n1 ZINC000822191621 599051043 /nfs/dbraw/zinc/05/10/43/599051043.db2.gz MCFZRWRAYVZKSY-YOEHRIQHSA-N -1 3 348.454 3.509 20 0 EHADHM C[C@@H]1C[C@@H]1[C@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1 ZINC000820668290 599054618 /nfs/dbraw/zinc/05/46/18/599054618.db2.gz RGCKZEKKJJKVQY-FUEDEBDSSA-N -1 3 340.818 3.724 20 0 EHADHM C[C@@H]1C[C@@H]1[C@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1 ZINC000820668290 599054621 /nfs/dbraw/zinc/05/46/21/599054621.db2.gz RGCKZEKKJJKVQY-FUEDEBDSSA-N -1 3 340.818 3.724 20 0 EHADHM C[C@H]1C[C@@H](c2ccccc2)CN1c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000736235677 599060107 /nfs/dbraw/zinc/06/01/07/599060107.db2.gz PIIFNTNHLQSDHG-SMDDNHRTSA-N -1 3 341.365 3.527 20 0 EHADHM C[C@H]1C[C@@H](c2ccccc2)CN1c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000736235677 599060110 /nfs/dbraw/zinc/06/01/10/599060110.db2.gz PIIFNTNHLQSDHG-SMDDNHRTSA-N -1 3 341.365 3.527 20 0 EHADHM CC(C)(C)Oc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735644124 599064335 /nfs/dbraw/zinc/06/43/35/599064335.db2.gz VVLZLFIHPXZQNL-UHFFFAOYSA-N -1 3 341.390 3.795 20 0 EHADHM CC(C)(C)Oc1ccccc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735644124 599064338 /nfs/dbraw/zinc/06/43/38/599064338.db2.gz VVLZLFIHPXZQNL-UHFFFAOYSA-N -1 3 341.390 3.795 20 0 EHADHM CS[C@@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000821950141 599072802 /nfs/dbraw/zinc/07/28/02/599072802.db2.gz LBMSSCMMNOOUOJ-WCBMZHEXSA-N -1 3 343.378 3.582 20 0 EHADHM CS[C@@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000821950141 599072804 /nfs/dbraw/zinc/07/28/04/599072804.db2.gz LBMSSCMMNOOUOJ-WCBMZHEXSA-N -1 3 343.378 3.582 20 0 EHADHM FC(F)(F)c1cc(N2CCC3(CCCC3)C2)ccc1-c1nnn[n-]1 ZINC000822723237 599093680 /nfs/dbraw/zinc/09/36/80/599093680.db2.gz AVAYHLLGVOMLRM-UHFFFAOYSA-N -1 3 337.349 3.656 20 0 EHADHM FC(F)(F)c1cc(N2CCC3(CCCC3)C2)ccc1-c1nn[n-]n1 ZINC000822723237 599093683 /nfs/dbraw/zinc/09/36/83/599093683.db2.gz AVAYHLLGVOMLRM-UHFFFAOYSA-N -1 3 337.349 3.656 20 0 EHADHM C[C@H](CCO)SCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000735986716 599108455 /nfs/dbraw/zinc/10/84/55/599108455.db2.gz PNZCHMJGBFUUGH-CYBMUJFWSA-N -1 3 340.452 3.538 20 0 EHADHM C[C@H](CCO)SCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000735986716 599108459 /nfs/dbraw/zinc/10/84/59/599108459.db2.gz PNZCHMJGBFUUGH-CYBMUJFWSA-N -1 3 340.452 3.538 20 0 EHADHM c1ccc(Oc2cccc(NCc3ccccc3-c3nnn[n-]3)c2)nc1 ZINC000823792621 599133954 /nfs/dbraw/zinc/13/39/54/599133954.db2.gz ZUUYFBGJJRXOBF-UHFFFAOYSA-N -1 3 344.378 3.666 20 0 EHADHM c1ccc(Oc2cccc(NCc3ccccc3-c3nn[n-]n3)c2)nc1 ZINC000823792621 599133956 /nfs/dbraw/zinc/13/39/56/599133956.db2.gz ZUUYFBGJJRXOBF-UHFFFAOYSA-N -1 3 344.378 3.666 20 0 EHADHM CC(C)(C)[C@@H]1CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735598174 599179918 /nfs/dbraw/zinc/17/99/18/599179918.db2.gz XDXVRPSJPZBQKY-CQSZACIVSA-N -1 3 342.447 3.547 20 0 EHADHM CC(C)(C)[C@@H]1CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735598174 599179920 /nfs/dbraw/zinc/17/99/20/599179920.db2.gz XDXVRPSJPZBQKY-CQSZACIVSA-N -1 3 342.447 3.547 20 0 EHADHM CCCCCC[C@H](C)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736443630 599181673 /nfs/dbraw/zinc/18/16/73/599181673.db2.gz AZHQEBXGXKXFLJ-KBPBESRZSA-N -1 3 329.448 3.650 20 0 EHADHM CCCCCC[C@H](C)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736443630 599181676 /nfs/dbraw/zinc/18/16/76/599181676.db2.gz AZHQEBXGXKXFLJ-KBPBESRZSA-N -1 3 329.448 3.650 20 0 EHADHM FC(F)Sc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822736474 607310822 /nfs/dbraw/zinc/31/08/22/607310822.db2.gz FCJWXYSICCYICY-UHFFFAOYSA-N -1 3 339.396 3.855 20 0 EHADHM FC(F)Sc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822736474 607310823 /nfs/dbraw/zinc/31/08/23/607310823.db2.gz FCJWXYSICCYICY-UHFFFAOYSA-N -1 3 339.396 3.855 20 0 EHADHM C[C@H](Nc1nc(-c2ccccc2)ns1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736135524 599271563 /nfs/dbraw/zinc/27/15/63/599271563.db2.gz AYIGRKWJHJXJIB-NSHDSACASA-N -1 3 349.423 3.558 20 0 EHADHM C[C@H](Nc1nc(-c2ccccc2)ns1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736135524 599271565 /nfs/dbraw/zinc/27/15/65/599271565.db2.gz AYIGRKWJHJXJIB-NSHDSACASA-N -1 3 349.423 3.558 20 0 EHADHM CC[C@@H]1CCCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC000736400950 599272656 /nfs/dbraw/zinc/27/26/56/599272656.db2.gz FMLLGEXTOKVYHD-LLVKDONJSA-N -1 3 342.834 3.695 20 0 EHADHM CC[C@@H]1CCCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C1 ZINC000736400950 599272658 /nfs/dbraw/zinc/27/26/58/599272658.db2.gz FMLLGEXTOKVYHD-LLVKDONJSA-N -1 3 342.834 3.695 20 0 EHADHM Fc1cccc(Nc2ccc(Cc3ccncc3)cc2)c1-c1nnn[n-]1 ZINC000737663808 598235351 /nfs/dbraw/zinc/23/53/51/598235351.db2.gz KIGNVUSVUDWCMN-UHFFFAOYSA-N -1 3 346.369 3.735 20 0 EHADHM Fc1cccc(Nc2ccc(Cc3ccncc3)cc2)c1-c1nn[n-]n1 ZINC000737663808 598235352 /nfs/dbraw/zinc/23/53/52/598235352.db2.gz KIGNVUSVUDWCMN-UHFFFAOYSA-N -1 3 346.369 3.735 20 0 EHADHM CCOc1ccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736636433 598235737 /nfs/dbraw/zinc/23/57/37/598235737.db2.gz IQPGVJLNZZQCPE-LLVKDONJSA-N -1 3 327.363 3.578 20 0 EHADHM Cc1ccc(C2=CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC000737332442 598236358 /nfs/dbraw/zinc/23/63/58/598236358.db2.gz WJXVFNQVRCHKGF-UHFFFAOYSA-N -1 3 335.386 3.608 20 0 EHADHM CC(C)OCc1ccccc1CNc1ccc(-c2nn[n-]n2)cc1F ZINC000735904904 598236843 /nfs/dbraw/zinc/23/68/43/598236843.db2.gz WDQAOERMBMZKGR-UHFFFAOYSA-N -1 3 341.390 3.543 20 0 EHADHM COc1ccc2c(c1)CCC[C@@H]2Nc1ccc(-c2nn[n-]n2)cc1F ZINC000737114200 598242680 /nfs/dbraw/zinc/24/26/80/598242680.db2.gz HPQZXFZEPXSREY-INIZCTEOSA-N -1 3 339.374 3.504 20 0 EHADHM Clc1cccc(SCCOc2ccccc2-c2nnn[n-]2)c1 ZINC000737574556 598294234 /nfs/dbraw/zinc/29/42/34/598294234.db2.gz MAIOYZYTVVJFJV-UHFFFAOYSA-N -1 3 332.816 3.691 20 0 EHADHM Clc1cccc(SCCOc2ccccc2-c2nn[n-]n2)c1 ZINC000737574556 598294236 /nfs/dbraw/zinc/29/42/36/598294236.db2.gz MAIOYZYTVVJFJV-UHFFFAOYSA-N -1 3 332.816 3.691 20 0 EHADHM Cc1cc(C)cc([C@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000737253772 598426423 /nfs/dbraw/zinc/42/64/23/598426423.db2.gz SRICJOUVDWNMOL-NSHDSACASA-N -1 3 328.807 3.705 20 0 EHADHM Cc1cc(C)cc([C@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737253772 598426422 /nfs/dbraw/zinc/42/64/22/598426422.db2.gz SRICJOUVDWNMOL-NSHDSACASA-N -1 3 328.807 3.705 20 0 EHADHM Clc1cccc(NCCc2c[nH]c3ccccc23)c1-c1nnn[n-]1 ZINC000737576101 598493449 /nfs/dbraw/zinc/49/34/49/598493449.db2.gz VBCBLSFSWWGODL-UHFFFAOYSA-N -1 3 338.802 3.656 20 0 EHADHM Clc1cccc(NCCc2c[nH]c3ccccc23)c1-c1nn[n-]n1 ZINC000737576101 598493450 /nfs/dbraw/zinc/49/34/50/598493450.db2.gz VBCBLSFSWWGODL-UHFFFAOYSA-N -1 3 338.802 3.656 20 0 EHADHM CCc1c(C)sc(NC(=O)CC2CCCCC2)c1-c1nnn[n-]1 ZINC000736670345 598518496 /nfs/dbraw/zinc/51/84/96/598518496.db2.gz NADUYPFIGPXZDD-UHFFFAOYSA-N -1 3 333.461 3.708 20 0 EHADHM CCc1c(C)sc(NC(=O)CC2CCCCC2)c1-c1nn[n-]n1 ZINC000736670345 598518497 /nfs/dbraw/zinc/51/84/97/598518497.db2.gz NADUYPFIGPXZDD-UHFFFAOYSA-N -1 3 333.461 3.708 20 0 EHADHM Clc1cccc(-c2nnn[n-]2)c1NCCc1c[nH]c2ccccc12 ZINC000737576104 598629517 /nfs/dbraw/zinc/62/95/17/598629517.db2.gz VEGGWXSDOBHSAZ-UHFFFAOYSA-N -1 3 338.802 3.656 20 0 EHADHM Clc1cccc(-c2nn[n-]n2)c1NCCc1c[nH]c2ccccc12 ZINC000737576104 598629518 /nfs/dbraw/zinc/62/95/18/598629518.db2.gz VEGGWXSDOBHSAZ-UHFFFAOYSA-N -1 3 338.802 3.656 20 0 EHADHM CCOc1cccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000736656526 598652647 /nfs/dbraw/zinc/65/26/47/598652647.db2.gz ZYADHCGCKWMGHR-UHFFFAOYSA-N -1 3 329.791 3.531 20 0 EHADHM CCOc1cccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000736656526 598652649 /nfs/dbraw/zinc/65/26/49/598652649.db2.gz ZYADHCGCKWMGHR-UHFFFAOYSA-N -1 3 329.791 3.531 20 0 EHADHM COc1cccc([C@@H](C)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737129425 598655313 /nfs/dbraw/zinc/65/53/13/598655313.db2.gz ZOVJEYLABTVYLN-SNVBAGLBSA-N -1 3 329.791 3.702 20 0 EHADHM COc1cccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737129425 598655314 /nfs/dbraw/zinc/65/53/14/598655314.db2.gz ZOVJEYLABTVYLN-SNVBAGLBSA-N -1 3 329.791 3.702 20 0 EHADHM CCC(=CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736305906 598736101 /nfs/dbraw/zinc/73/61/01/598736101.db2.gz YCJCEOJUMXXRNW-RHIYTYFCSA-N -1 3 347.422 3.538 20 0 EHADHM CCC(=CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736305906 598736103 /nfs/dbraw/zinc/73/61/03/598736103.db2.gz YCJCEOJUMXXRNW-RHIYTYFCSA-N -1 3 347.422 3.538 20 0 EHADHM C[C@@H]1C[C@H]1c1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)o1 ZINC000736234747 598794166 /nfs/dbraw/zinc/79/41/66/598794166.db2.gz BRTQDNMUZQRUHF-BXKDBHETSA-N -1 3 329.791 3.849 20 0 EHADHM C[C@@H]1C[C@H]1c1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)o1 ZINC000736234747 598794167 /nfs/dbraw/zinc/79/41/67/598794167.db2.gz BRTQDNMUZQRUHF-BXKDBHETSA-N -1 3 329.791 3.849 20 0 EHADHM CC[C@H](CC(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736332418 598820019 /nfs/dbraw/zinc/82/00/19/598820019.db2.gz MUNQJMBDGPHGSU-OAHLLOKOSA-N -1 3 343.475 3.928 20 0 EHADHM CC[C@H](CC(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736332418 598820021 /nfs/dbraw/zinc/82/00/21/598820021.db2.gz MUNQJMBDGPHGSU-OAHLLOKOSA-N -1 3 343.475 3.928 20 0 EHADHM C[C@H](OCCCNc1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000820518771 599326154 /nfs/dbraw/zinc/32/61/54/599326154.db2.gz KNHHXUOMDFIFFW-ZDUSSCGKSA-N -1 3 341.390 3.586 20 0 EHADHM C[C@H](OCCCNc1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000820518771 599326156 /nfs/dbraw/zinc/32/61/56/599326156.db2.gz KNHHXUOMDFIFFW-ZDUSSCGKSA-N -1 3 341.390 3.586 20 0 EHADHM C[C@H](Nc1ccc(OC(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820456107 599362991 /nfs/dbraw/zinc/36/29/91/599362991.db2.gz QAEKUGCRMPNHJM-JTQLQIEISA-N -1 3 331.326 3.641 20 0 EHADHM C[C@H](Nc1ccc(OC(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820456107 599362992 /nfs/dbraw/zinc/36/29/92/599362992.db2.gz QAEKUGCRMPNHJM-JTQLQIEISA-N -1 3 331.326 3.641 20 0 EHADHM Clc1ccccc1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737585000 599393812 /nfs/dbraw/zinc/39/38/12/599393812.db2.gz VUBQYSYNQGGDMS-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM Clc1ccccc1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737585000 599393814 /nfs/dbraw/zinc/39/38/14/599393814.db2.gz VUBQYSYNQGGDMS-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM COc1ccc(-c2nnn[n-]2)cc1CS[C@H](C)c1cccs1 ZINC000821749562 607379260 /nfs/dbraw/zinc/37/92/60/607379260.db2.gz RURLFHFBYHILFE-SNVBAGLBSA-N -1 3 332.454 3.931 20 0 EHADHM COc1ccc(-c2nn[n-]n2)cc1CS[C@H](C)c1cccs1 ZINC000821749562 607379262 /nfs/dbraw/zinc/37/92/62/607379262.db2.gz RURLFHFBYHILFE-SNVBAGLBSA-N -1 3 332.454 3.931 20 0 EHADHM CCOc1ccccc1[C@H](C)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821431278 599503731 /nfs/dbraw/zinc/50/37/31/599503731.db2.gz OHGVDORJXFBKPT-NSHDSACASA-N -1 3 327.363 3.578 20 0 EHADHM CCOc1ccccc1[C@H](C)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821431278 599503734 /nfs/dbraw/zinc/50/37/34/599503734.db2.gz OHGVDORJXFBKPT-NSHDSACASA-N -1 3 327.363 3.578 20 0 EHADHM Fc1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)cc1Cl ZINC000822771709 599517367 /nfs/dbraw/zinc/51/73/67/599517367.db2.gz KIAHNQGBUFCGDH-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM Fc1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)cc1Cl ZINC000822771709 599517369 /nfs/dbraw/zinc/51/73/69/599517369.db2.gz KIAHNQGBUFCGDH-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM C[C@@H](SCCOc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000736187458 599524007 /nfs/dbraw/zinc/52/40/07/599524007.db2.gz AXLBRUSGZVERAZ-LLVKDONJSA-N -1 3 332.454 3.801 20 0 EHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cccc3ccccc32)s1 ZINC000821465605 599630439 /nfs/dbraw/zinc/63/04/39/599630439.db2.gz KHYMYPCMAGHTCD-UHFFFAOYSA-N -1 3 349.419 3.896 20 0 EHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cccc3ccccc32)s1 ZINC000821465605 599630440 /nfs/dbraw/zinc/63/04/40/599630440.db2.gz KHYMYPCMAGHTCD-UHFFFAOYSA-N -1 3 349.419 3.896 20 0 EHADHM CCCCCCC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821050373 599632685 /nfs/dbraw/zinc/63/26/85/599632685.db2.gz REFDZUKWDHAUEC-UHFFFAOYSA-N -1 3 341.337 3.794 20 0 EHADHM CCCCCCC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821050373 599632686 /nfs/dbraw/zinc/63/26/86/599632686.db2.gz REFDZUKWDHAUEC-UHFFFAOYSA-N -1 3 341.337 3.794 20 0 EHADHM CN(CCCc1cc(-c2ccccc2)no1)Cc1occc1C(=O)[O-] ZINC000573688999 599717412 /nfs/dbraw/zinc/71/74/12/599717412.db2.gz JROAZETULJLTKK-UHFFFAOYSA-N -1 3 340.379 3.697 20 0 EHADHM O=C([O-])c1ccc(CNCc2ccc(F)c(Br)c2)cc1 ZINC000426690999 599841316 /nfs/dbraw/zinc/84/13/16/599841316.db2.gz FIRLYLGQTSXMHG-UHFFFAOYSA-N -1 3 338.176 3.576 20 0 EHADHM CCC[C@@](C)(NCc1csc(-c2ccc(OCC)cc2)n1)C(=O)[O-] ZINC000736962320 600321474 /nfs/dbraw/zinc/32/14/74/600321474.db2.gz HMFWZOKZLOVAQV-GOSISDBHSA-N -1 3 348.468 3.942 20 0 EHADHM Cc1ccc(CCCCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826287486 607440959 /nfs/dbraw/zinc/44/09/59/607440959.db2.gz QLLHKDPJLBKPTQ-UHFFFAOYSA-N -1 3 349.438 3.551 20 0 EHADHM Cc1ccc(CCCCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826287486 607440960 /nfs/dbraw/zinc/44/09/60/607440960.db2.gz QLLHKDPJLBKPTQ-UHFFFAOYSA-N -1 3 349.438 3.551 20 0 EHADHM O=C([O-])[C@@H](NCc1ccccc1OC1CCCC1)c1ccccc1 ZINC000739503820 600425807 /nfs/dbraw/zinc/42/58/07/600425807.db2.gz ANVPDHNURVFDCM-IBGZPJMESA-N -1 3 325.408 3.924 20 0 EHADHM O=C([O-])[C@@H](NCc1cccc(Br)c1)c1ccc(F)cc1 ZINC000426767967 600429303 /nfs/dbraw/zinc/42/93/03/600429303.db2.gz SPRAEWWHSXYIFU-AWEZNQCLSA-N -1 3 338.176 3.504 20 0 EHADHM Cc1cc(F)ccc1-c1ccc(CN[C@H]2CCCN(C(=O)[O-])C2)o1 ZINC000738396897 600639821 /nfs/dbraw/zinc/63/98/21/600639821.db2.gz OXNHTSQDQUTKLV-AWEZNQCLSA-N -1 3 332.375 3.626 20 0 EHADHM CCCN(CC(=O)[O-])Cc1cc2ccc(SC)cc2nc1Cl ZINC000737014362 600740736 /nfs/dbraw/zinc/74/07/36/600740736.db2.gz HELOBLCDFGIZAV-UHFFFAOYSA-N -1 3 338.860 3.907 20 0 EHADHM CN(CCOc1ccccc1Cl)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000830795298 601616043 /nfs/dbraw/zinc/61/60/43/601616043.db2.gz NLHZFJTVYADSFA-UHFFFAOYSA-N -1 3 337.778 3.688 20 0 EHADHM C[C@@H](NC(=O)CC[C@H](C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824402036 607531975 /nfs/dbraw/zinc/53/19/75/607531975.db2.gz TWGGEFYBVPSLAK-LSDHHAIUSA-N -1 3 349.438 3.628 20 0 EHADHM C[C@@H](NC(=O)CC[C@H](C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824402036 607531978 /nfs/dbraw/zinc/53/19/78/607531978.db2.gz TWGGEFYBVPSLAK-LSDHHAIUSA-N -1 3 349.438 3.628 20 0 EHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC2(CC1)OCc1ccccc12 ZINC000827928759 601910624 /nfs/dbraw/zinc/91/06/24/601910624.db2.gz PERKKPQEQXGXQP-ZDUSSCGKSA-N -1 3 327.380 3.560 20 0 EHADHM COc1cc(OC)cc([C@@H](N[C@@H](C)c2cccc(Cl)c2)C(=O)[O-])c1 ZINC000832050088 602164018 /nfs/dbraw/zinc/16/40/18/602164018.db2.gz MICZBBOECMGHBX-APPDUMDISA-N -1 3 349.814 3.834 20 0 EHADHM COc1cc(OC)cc([C@@H](N[C@H](C)c2ccc(C)c(C)c2)C(=O)[O-])c1 ZINC000832049899 602169502 /nfs/dbraw/zinc/16/95/02/602169502.db2.gz KZCYKMGOUQUAFQ-AUUYWEPGSA-N -1 3 343.423 3.797 20 0 EHADHM O=C([O-])c1sccc1CN1CCC[C@H]1CC(=O)c1ccccc1 ZINC000833097982 602240689 /nfs/dbraw/zinc/24/06/89/602240689.db2.gz VQYXWTHPFSOAGM-HNNXBMFYSA-N -1 3 329.421 3.684 20 0 EHADHM CN(C(=O)[O-])C1CCN(CCSc2ccc(Cl)cc2)CC1 ZINC000737937738 602531523 /nfs/dbraw/zinc/53/15/23/602531523.db2.gz OHKPJZAKOAFXOY-UHFFFAOYSA-N -1 3 328.865 3.506 20 0 EHADHM Cc1ccc(NC(=O)c2ccc(F)c(NC(=O)[O-])c2)c(CN(C)C)c1 ZINC000740141266 603031854 /nfs/dbraw/zinc/03/18/54/603031854.db2.gz PXSKIUARNSOYJU-UHFFFAOYSA-N -1 3 345.374 3.538 20 0 EHADHM C[C@H](NCC[C@@H]1CCCN(C(=O)[O-])C1)c1nc2ccccc2s1 ZINC000825490651 604299416 /nfs/dbraw/zinc/29/94/16/604299416.db2.gz NQYGLUOAYWROPC-STQMWFEESA-N -1 3 333.457 3.727 20 0 EHADHM CC(C)N(CCC(=O)[O-])Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000826946996 604346370 /nfs/dbraw/zinc/34/63/70/604346370.db2.gz NYDGHJCNDSSMBD-UHFFFAOYSA-N -1 3 330.306 3.532 20 0 EHADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833547723 604532879 /nfs/dbraw/zinc/53/28/79/604532879.db2.gz IMROFHSKFJAULL-JTQLQIEISA-N -1 3 326.318 3.925 20 0 EHADHM CCCCN(C(=O)c1ccc(-c2nnn[n-]2)cc1C)c1ccccc1 ZINC000825282750 607701274 /nfs/dbraw/zinc/70/12/74/607701274.db2.gz YQNFRXCYAKJULO-UHFFFAOYSA-N -1 3 335.411 3.622 20 0 EHADHM CCCCN(C(=O)c1ccc(-c2nn[n-]n2)cc1C)c1ccccc1 ZINC000825282750 607701276 /nfs/dbraw/zinc/70/12/76/607701276.db2.gz YQNFRXCYAKJULO-UHFFFAOYSA-N -1 3 335.411 3.622 20 0 EHADHM CC(C)Oc1cccc(CN(C)Cc2ccccc2CC(=O)[O-])c1 ZINC000833507379 604621099 /nfs/dbraw/zinc/62/10/99/604621099.db2.gz JTLLQNUDUOZJPE-UHFFFAOYSA-N -1 3 327.424 3.733 20 0 EHADHM Cc1nc2ccccc2nc1CN(CCCC(=O)[O-])Cc1ccccc1 ZINC000578330616 604785729 /nfs/dbraw/zinc/78/57/29/604785729.db2.gz VJLVVBGADYZFAF-UHFFFAOYSA-N -1 3 349.434 3.805 20 0 EHADHM O=C([O-])N1CCC[C@H](CN2CCCC[C@H]2c2nc3ccccc3o2)C1 ZINC000831981396 604838353 /nfs/dbraw/zinc/83/83/53/604838353.db2.gz WSBMZTZBPAXZHU-ZBFHGGJFSA-N -1 3 343.427 3.745 20 0 EHADHM C[C@H](N[C@H](C(=O)[O-])c1cccnc1)c1ccc(Cl)c(Cl)c1 ZINC000827718426 604986227 /nfs/dbraw/zinc/98/62/27/604986227.db2.gz REVSJBJDXUSIBB-XPTSAGLGSA-N -1 3 325.195 3.865 20 0 EHADHM CCc1ccc([C@H](C)NCc2cc(C(=O)[O-])cc(C(=O)OC)c2)cc1 ZINC000833671498 605061317 /nfs/dbraw/zinc/06/13/17/605061317.db2.gz ZXERQCDVJXXLOB-ZDUSSCGKSA-N -1 3 341.407 3.585 20 0 EHADHM C[C@@]1(NCc2nnc(-c3ccccc3Cl)o2)CCCC[C@H]1C(=O)[O-] ZINC000833571387 605071493 /nfs/dbraw/zinc/07/14/93/605071493.db2.gz XTVBXLFIPINNDE-YVEFUNNKSA-N -1 3 349.818 3.513 20 0 EHADHM CC1(C)CN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)CCS1 ZINC000833559712 605266821 /nfs/dbraw/zinc/26/68/21/605266821.db2.gz FMEQYZVMDSEZEK-GFCCVEGCSA-N -1 3 333.375 3.659 20 0 EHADHM C[C@@H](NC(=O)C=C1CCC(C)(C)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824480061 607745369 /nfs/dbraw/zinc/74/53/69/607745369.db2.gz SBSCFBGONDDMHS-CYBMUJFWSA-N -1 3 339.443 3.571 20 0 EHADHM C[C@@H](NC(=O)C=C1CCC(C)(C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824480061 607745370 /nfs/dbraw/zinc/74/53/70/607745370.db2.gz SBSCFBGONDDMHS-CYBMUJFWSA-N -1 3 339.443 3.571 20 0 EHADHM CC(C)(C)Oc1ccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)cn1 ZINC000833447733 605417789 /nfs/dbraw/zinc/41/77/89/605417789.db2.gz RGWQIRWJZMCSGE-INIZCTEOSA-N -1 3 348.830 3.828 20 0 EHADHM CC(C)(C)[C@@H]1CCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833424126 605431140 /nfs/dbraw/zinc/43/11/40/605431140.db2.gz HRLZWMCLFFJPEA-OAHLLOKOSA-N -1 3 328.412 3.908 20 0 EHADHM C[C@H](Oc1ccc(CN2C[C@H](C(F)(F)F)CC[C@H]2C)cc1)C(=O)[O-] ZINC000833537688 605731104 /nfs/dbraw/zinc/73/11/04/605731104.db2.gz NQIHOHCARRTWRQ-MBNYWOFBSA-N -1 3 345.361 3.701 20 0 EHADHM Cc1ccc([C@@H](C)Nc2nc3ccccc3cc2-c2nnn[n-]2)s1 ZINC000822229535 606054571 /nfs/dbraw/zinc/05/45/71/606054571.db2.gz WOSXLIQKCCXTQA-LLVKDONJSA-N -1 3 336.424 3.958 20 0 EHADHM Cc1ccc([C@@H](C)Nc2nc3ccccc3cc2-c2nn[n-]n2)s1 ZINC000822229535 606054577 /nfs/dbraw/zinc/05/45/77/606054577.db2.gz WOSXLIQKCCXTQA-LLVKDONJSA-N -1 3 336.424 3.958 20 0 EHADHM Fc1ccc2c(c1)CC[C@H]2Nc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000822787060 606057219 /nfs/dbraw/zinc/05/72/19/606057219.db2.gz TZMNZGLYDGFHAU-QGZVFWFLSA-N -1 3 346.369 3.653 20 0 EHADHM Fc1ccc2c(c1)CC[C@H]2Nc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000822787060 606057224 /nfs/dbraw/zinc/05/72/24/606057224.db2.gz TZMNZGLYDGFHAU-QGZVFWFLSA-N -1 3 346.369 3.653 20 0 EHADHM CCO[C@H](C)c1nc(CSc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000821346120 606328660 /nfs/dbraw/zinc/32/86/60/606328660.db2.gz CWVCBPSUXGKISN-SNVBAGLBSA-N -1 3 347.469 3.713 20 0 EHADHM CCO[C@H](C)c1nc(CSc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000821346120 606328662 /nfs/dbraw/zinc/32/86/62/606328662.db2.gz CWVCBPSUXGKISN-SNVBAGLBSA-N -1 3 347.469 3.713 20 0 EHADHM C[C@H](CC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000820225139 606350677 /nfs/dbraw/zinc/35/06/77/606350677.db2.gz BQWQQRHZTBKTKN-ZIAGYGMSSA-N -1 3 336.395 3.665 20 0 EHADHM C[C@H](CC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820225139 606350679 /nfs/dbraw/zinc/35/06/79/606350679.db2.gz BQWQQRHZTBKTKN-ZIAGYGMSSA-N -1 3 336.395 3.665 20 0 EHADHM CCCC[C@H](CCC)NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821042781 606382189 /nfs/dbraw/zinc/38/21/89/606382189.db2.gz ICTXLDZXSJTHHK-BBRMVZONSA-N -1 3 344.463 3.586 20 0 EHADHM CCCC[C@H](CCC)NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821042781 606382191 /nfs/dbraw/zinc/38/21/91/606382191.db2.gz ICTXLDZXSJTHHK-BBRMVZONSA-N -1 3 344.463 3.586 20 0 EHADHM CCCCOc1cccc(NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000821077964 606449885 /nfs/dbraw/zinc/44/98/85/606449885.db2.gz YRCOLQUTQSOZND-UHFFFAOYSA-N -1 3 341.390 3.797 20 0 EHADHM CCCCOc1cccc(NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000821077964 606449887 /nfs/dbraw/zinc/44/98/87/606449887.db2.gz YRCOLQUTQSOZND-UHFFFAOYSA-N -1 3 341.390 3.797 20 0 EHADHM CCc1ccc(CC)c(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821482023 606459599 /nfs/dbraw/zinc/45/95/99/606459599.db2.gz PKJNLEIEONAZRM-UHFFFAOYSA-N -1 3 349.438 3.563 20 0 EHADHM CCc1ccc(CC)c(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821482023 606459601 /nfs/dbraw/zinc/45/96/01/606459601.db2.gz PKJNLEIEONAZRM-UHFFFAOYSA-N -1 3 349.438 3.563 20 0 EHADHM Fc1ccc(NC[C@H]2CCC[C@@H](C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000822778239 606596193 /nfs/dbraw/zinc/59/61/93/606596193.db2.gz GHJSIJAXLMVRNB-VHSXEESVSA-N -1 3 343.328 3.786 20 0 EHADHM Fc1ccc(NC[C@H]2CCC[C@@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000822778239 606596195 /nfs/dbraw/zinc/59/61/95/606596195.db2.gz GHJSIJAXLMVRNB-VHSXEESVSA-N -1 3 343.328 3.786 20 0 EHADHM CN(c1ccccc1NCc1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC000821619245 606776308 /nfs/dbraw/zinc/77/63/08/606776308.db2.gz OXYHXNCQBWSQTI-UHFFFAOYSA-N -1 3 348.454 3.858 20 0 EHADHM CN(c1ccccc1NCc1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC000821619245 606776309 /nfs/dbraw/zinc/77/63/09/606776309.db2.gz OXYHXNCQBWSQTI-UHFFFAOYSA-N -1 3 348.454 3.858 20 0 EHADHM CCOc1ccc(CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000821422564 606828465 /nfs/dbraw/zinc/82/84/65/606828465.db2.gz ZUHQXEMLKJYGNU-LBPRGKRZSA-N -1 3 341.440 3.655 20 0 EHADHM CCOc1ccc(CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000821422564 606828467 /nfs/dbraw/zinc/82/84/67/606828467.db2.gz ZUHQXEMLKJYGNU-LBPRGKRZSA-N -1 3 341.440 3.655 20 0 EHADHM CC(C)CN(C/C(Cl)=C/Cl)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820086926 606921823 /nfs/dbraw/zinc/92/18/23/606921823.db2.gz IMERNQPJHBPEFC-AUWJEWJLSA-N -1 3 340.258 3.644 20 0 EHADHM COc1cc(Cl)c(C)cc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821716891 606926524 /nfs/dbraw/zinc/92/65/24/606926524.db2.gz GCXCMHDWEOEHKB-UHFFFAOYSA-N -1 3 347.781 3.588 20 0 EHADHM COc1cc(Cl)c(C)cc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821716891 606926526 /nfs/dbraw/zinc/92/65/26/606926526.db2.gz GCXCMHDWEOEHKB-UHFFFAOYSA-N -1 3 347.781 3.588 20 0 EHADHM Cc1sc2ncnc(Sc3cccc(-c4nnn[n-]4)c3)c2c1C ZINC000822562539 606944871 /nfs/dbraw/zinc/94/48/71/606944871.db2.gz ATYTZICUGGNYBM-UHFFFAOYSA-N -1 3 340.437 3.639 20 0 EHADHM Cc1sc2ncnc(Sc3cccc(-c4nn[n-]n4)c3)c2c1C ZINC000822562539 606944873 /nfs/dbraw/zinc/94/48/73/606944873.db2.gz ATYTZICUGGNYBM-UHFFFAOYSA-N -1 3 340.437 3.639 20 0 EHADHM Cc1ccc(-c2nc(COc3cc(-c4nnn[n-]4)ccc3C)co2)cc1 ZINC000822213946 607031755 /nfs/dbraw/zinc/03/17/55/607031755.db2.gz IQIQXUVWSFROMC-UHFFFAOYSA-N -1 3 347.378 3.718 20 0 EHADHM Cc1ccc(-c2nc(COc3cc(-c4nn[n-]n4)ccc3C)co2)cc1 ZINC000822213946 607031757 /nfs/dbraw/zinc/03/17/57/607031757.db2.gz IQIQXUVWSFROMC-UHFFFAOYSA-N -1 3 347.378 3.718 20 0 EHADHM Cc1sc(NC(=O)c2ccc(Cl)c(C)c2)c(-c2nnn[n-]2)c1C ZINC000822182932 607052675 /nfs/dbraw/zinc/05/26/75/607052675.db2.gz FEPYMPXGOOIRPH-UHFFFAOYSA-N -1 3 347.831 3.759 20 0 EHADHM Cc1sc(NC(=O)c2ccc(Cl)c(C)c2)c(-c2nn[n-]n2)c1C ZINC000822182932 607052676 /nfs/dbraw/zinc/05/26/76/607052676.db2.gz FEPYMPXGOOIRPH-UHFFFAOYSA-N -1 3 347.831 3.759 20 0 EHADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1cc2ccccc2o1 ZINC000820427164 607058763 /nfs/dbraw/zinc/05/87/63/607058763.db2.gz PRLQOTSNBMHDDZ-LLVKDONJSA-N -1 3 337.358 3.603 20 0 EHADHM COc1cccc2c1CC[C@@H]2Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821877809 607119528 /nfs/dbraw/zinc/11/95/28/607119528.db2.gz VYWIRFGKKVXKHC-HNNXBMFYSA-N -1 3 341.802 3.628 20 0 EHADHM COc1cccc2c1CC[C@@H]2Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821877809 607119530 /nfs/dbraw/zinc/11/95/30/607119530.db2.gz VYWIRFGKKVXKHC-HNNXBMFYSA-N -1 3 341.802 3.628 20 0 EHADHM Fc1cc(-c2nnn[n-]2)ccc1OCc1ccccc1C(F)(F)F ZINC000822748278 607135696 /nfs/dbraw/zinc/13/56/96/607135696.db2.gz QTNBGQKGRPOLMX-UHFFFAOYSA-N -1 3 338.264 3.604 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1OCc1ccccc1C(F)(F)F ZINC000822748278 607135697 /nfs/dbraw/zinc/13/56/97/607135697.db2.gz QTNBGQKGRPOLMX-UHFFFAOYSA-N -1 3 338.264 3.604 20 0 EHADHM C[C@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820698990 607195546 /nfs/dbraw/zinc/19/55/46/607195546.db2.gz XFODKWMHXUOEGY-IINYFYTJSA-N -1 3 348.838 3.563 20 0 EHADHM C[C@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820698990 607195547 /nfs/dbraw/zinc/19/55/47/607195547.db2.gz XFODKWMHXUOEGY-IINYFYTJSA-N -1 3 348.838 3.563 20 0 EHADHM CC(C)CSCCCn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000824274063 607783683 /nfs/dbraw/zinc/78/36/83/607783683.db2.gz COJZLDYYGNYIAS-UHFFFAOYSA-N -1 3 342.472 3.510 20 0 EHADHM CC(C)CSCCCn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000824274063 607783684 /nfs/dbraw/zinc/78/36/84/607783684.db2.gz COJZLDYYGNYIAS-UHFFFAOYSA-N -1 3 342.472 3.510 20 0 EHADHM Cc1cc(Cl)c(NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000826267698 607791619 /nfs/dbraw/zinc/79/16/19/607791619.db2.gz QYWVBXJVVMAXRJ-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1cc(Cl)c(NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000826267698 607791620 /nfs/dbraw/zinc/79/16/20/607791620.db2.gz QYWVBXJVVMAXRJ-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1ccc(NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826291105 607832647 /nfs/dbraw/zinc/83/26/47/607832647.db2.gz PMYMRRMZQCGTHW-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1ccc(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826291105 607832648 /nfs/dbraw/zinc/83/26/48/607832648.db2.gz PMYMRRMZQCGTHW-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM CC(C)(C)[C@@H]1C[C@H](Nc2ccc(Cl)cc2-c2nnn[n-]2)CCO1 ZINC000824077429 608149391 /nfs/dbraw/zinc/14/93/91/608149391.db2.gz BEMRAORVCNCYJE-RISCZKNCSA-N -1 3 335.839 3.526 20 0 EHADHM CC(C)(C)[C@@H]1C[C@H](Nc2ccc(Cl)cc2-c2nn[n-]n2)CCO1 ZINC000824077429 608149392 /nfs/dbraw/zinc/14/93/92/608149392.db2.gz BEMRAORVCNCYJE-RISCZKNCSA-N -1 3 335.839 3.526 20 0 EHADHM Fc1c(CSC2=Nc3ccccc3C2)cccc1-c1nnn[n-]1 ZINC000826371066 608397520 /nfs/dbraw/zinc/39/75/20/608397520.db2.gz RAKNBVYHMJKYOP-UHFFFAOYSA-N -1 3 325.372 3.525 20 0 EHADHM Fc1c(CSC2=Nc3ccccc3C2)cccc1-c1nn[n-]n1 ZINC000826371066 608397521 /nfs/dbraw/zinc/39/75/21/608397521.db2.gz RAKNBVYHMJKYOP-UHFFFAOYSA-N -1 3 325.372 3.525 20 0 EHADHM CCN(Cc1cc(-c2nnn[n-]2)cs1)Cc1ccccc1Cl ZINC000825428233 608532345 /nfs/dbraw/zinc/53/23/45/608532345.db2.gz GJEVEJNFRONOSE-UHFFFAOYSA-N -1 3 333.848 3.604 20 0 EHADHM CCN(Cc1cc(-c2nn[n-]n2)cs1)Cc1ccccc1Cl ZINC000825428233 608532347 /nfs/dbraw/zinc/53/23/47/608532347.db2.gz GJEVEJNFRONOSE-UHFFFAOYSA-N -1 3 333.848 3.604 20 0 EHADHM C[C@@H](Nc1nccc2ccc(F)cc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000824671111 608771514 /nfs/dbraw/zinc/77/15/14/608771514.db2.gz XGCGMCAZGVLQME-LLVKDONJSA-N -1 3 334.358 3.727 20 0 EHADHM C[C@@H](Nc1nccc2ccc(F)cc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000824671111 608771515 /nfs/dbraw/zinc/77/15/15/608771515.db2.gz XGCGMCAZGVLQME-LLVKDONJSA-N -1 3 334.358 3.727 20 0 EHADHM FC(F)SCc1ccc(CNc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826370187 608866387 /nfs/dbraw/zinc/86/63/87/608866387.db2.gz HPWOSASTRXIPHM-UHFFFAOYSA-N -1 3 337.355 3.528 20 0 EHADHM c1csc(-c2ncc(CNc3cccc(-c4nnn[n-]4)c3)s2)c1 ZINC000826516972 608870011 /nfs/dbraw/zinc/87/00/11/608870011.db2.gz KNURCHWJRQTHTO-UHFFFAOYSA-N -1 3 340.437 3.664 20 0 EHADHM c1csc(-c2ncc(CNc3cccc(-c4nn[n-]n4)c3)s2)c1 ZINC000826516972 608870015 /nfs/dbraw/zinc/87/00/15/608870015.db2.gz KNURCHWJRQTHTO-UHFFFAOYSA-N -1 3 340.437 3.664 20 0 EHADHM CCOc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1F ZINC000825643528 609179972 /nfs/dbraw/zinc/17/99/72/609179972.db2.gz PMLKMDDRMHJAIE-SNVBAGLBSA-N -1 3 345.353 3.717 20 0 EHADHM CCOc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1F ZINC000825643528 609179973 /nfs/dbraw/zinc/17/99/73/609179973.db2.gz PMLKMDDRMHJAIE-SNVBAGLBSA-N -1 3 345.353 3.717 20 0 EHADHM COc1ccc(CSCc2ccc(CF)cc2)cc1-c1nnn[n-]1 ZINC000826207892 609184294 /nfs/dbraw/zinc/18/42/94/609184294.db2.gz JPQKXQYVHVXWNE-UHFFFAOYSA-N -1 3 344.415 3.778 20 0 EHADHM COc1ccc(CSCc2ccc(CF)cc2)cc1-c1nn[n-]n1 ZINC000826207892 609184296 /nfs/dbraw/zinc/18/42/96/609184296.db2.gz JPQKXQYVHVXWNE-UHFFFAOYSA-N -1 3 344.415 3.778 20 0 EHADHM COc1ccc(-c2nnn[n-]2)cc1CSCc1ccc(CF)cc1 ZINC000826184785 609185117 /nfs/dbraw/zinc/18/51/17/609185117.db2.gz KQNJHUSYWGXYQF-UHFFFAOYSA-N -1 3 344.415 3.778 20 0 EHADHM COc1ccc(-c2nn[n-]n2)cc1CSCc1ccc(CF)cc1 ZINC000826184785 609185118 /nfs/dbraw/zinc/18/51/18/609185118.db2.gz KQNJHUSYWGXYQF-UHFFFAOYSA-N -1 3 344.415 3.778 20 0 EHADHM CC(C)n1ncc2cc(N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000824656487 609279464 /nfs/dbraw/zinc/27/94/64/609279464.db2.gz KUMQFMOPGBGRJK-ZDUSSCGKSA-N -1 3 347.426 3.970 20 0 EHADHM CC(C)n1ncc2cc(N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000824656487 609279466 /nfs/dbraw/zinc/27/94/66/609279466.db2.gz KUMQFMOPGBGRJK-ZDUSSCGKSA-N -1 3 347.426 3.970 20 0 EHADHM C[C@H](N[C@@H](C)c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824530472 609326940 /nfs/dbraw/zinc/32/69/40/609326940.db2.gz LXRWPCYSBCBONF-UWVGGRQHSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@H](N[C@@H](C)c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000824530472 609326941 /nfs/dbraw/zinc/32/69/41/609326941.db2.gz LXRWPCYSBCBONF-UWVGGRQHSA-N -1 3 347.344 3.696 20 0 EHADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N[C@H]1CCCc2ccccc21 ZINC000824019588 609419748 /nfs/dbraw/zinc/41/97/48/609419748.db2.gz HJEYSGLUADZADH-KRWDZBQOSA-N -1 3 333.395 3.559 20 0 EHADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N[C@H]1CCCc2ccccc21 ZINC000824019588 609419751 /nfs/dbraw/zinc/41/97/51/609419751.db2.gz HJEYSGLUADZADH-KRWDZBQOSA-N -1 3 333.395 3.559 20 0 EHADHM Cc1nc2cc(NCc3cccc(-c4nnn[n-]4)c3F)ccc2s1 ZINC000826329299 609481545 /nfs/dbraw/zinc/48/15/45/609481545.db2.gz XUHHXYZDKVPSGL-UHFFFAOYSA-N -1 3 340.387 3.536 20 0 EHADHM Cc1nc2cc(NCc3cccc(-c4nn[n-]n4)c3F)ccc2s1 ZINC000826329299 609481546 /nfs/dbraw/zinc/48/15/46/609481546.db2.gz XUHHXYZDKVPSGL-UHFFFAOYSA-N -1 3 340.387 3.536 20 0 EHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)C1=CCC1 ZINC000826271783 609535044 /nfs/dbraw/zinc/53/50/44/609535044.db2.gz HDHMMFWUMRAULE-UHFFFAOYSA-N -1 3 347.378 3.626 20 0 EHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)C1=CCC1 ZINC000826271783 609535046 /nfs/dbraw/zinc/53/50/46/609535046.db2.gz HDHMMFWUMRAULE-UHFFFAOYSA-N -1 3 347.378 3.626 20 0 EHADHM CCC[C@@H](Nc1ncc(Cl)c(C)c1-c1nnn[n-]1)c1ccccn1 ZINC000825241858 609548142 /nfs/dbraw/zinc/54/81/42/609548142.db2.gz BUVLOIZMECTMAV-CYBMUJFWSA-N -1 3 343.822 3.572 20 0 EHADHM CCC[C@@H](Nc1ncc(Cl)c(C)c1-c1nn[n-]n1)c1ccccn1 ZINC000825241858 609548146 /nfs/dbraw/zinc/54/81/46/609548146.db2.gz BUVLOIZMECTMAV-CYBMUJFWSA-N -1 3 343.822 3.572 20 0 EHADHM CCC(C)=C(C)C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000825049834 609601014 /nfs/dbraw/zinc/60/10/14/609601014.db2.gz FMTOVAZQKNRSQI-KTKRTIGZSA-N -1 3 333.461 3.911 20 0 EHADHM CCC(C)=C(C)C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000825049834 609601015 /nfs/dbraw/zinc/60/10/15/609601015.db2.gz FMTOVAZQKNRSQI-KTKRTIGZSA-N -1 3 333.461 3.911 20 0 EHADHM CC/C(C)=C(/C)C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000825049834 609601016 /nfs/dbraw/zinc/60/10/16/609601016.db2.gz FMTOVAZQKNRSQI-KTKRTIGZSA-N -1 3 333.461 3.911 20 0 EHADHM CC(C)[C@@H](CCc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000574706922 944636740 /nfs/dbraw/zinc/63/67/40/944636740.db2.gz GIYTUDVCFMKEND-GOSISDBHSA-N -1 3 349.438 3.710 20 0 EHADHM CC(C)[C@@H](CCc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000574706922 944636747 /nfs/dbraw/zinc/63/67/47/944636747.db2.gz GIYTUDVCFMKEND-GOSISDBHSA-N -1 3 349.438 3.710 20 0 EHADHM CC(=O)c1ccc(-c2nnn[n-]2)c(N[C@@H]2CCCc3ccccc32)c1 ZINC000824014534 946550748 /nfs/dbraw/zinc/55/07/48/946550748.db2.gz KKCHSZJJAFELHG-QGZVFWFLSA-N -1 3 333.395 3.559 20 0 EHADHM CC(=O)c1ccc(-c2nn[n-]n2)c(N[C@@H]2CCCc3ccccc32)c1 ZINC000824014534 946550758 /nfs/dbraw/zinc/55/07/58/946550758.db2.gz KKCHSZJJAFELHG-QGZVFWFLSA-N -1 3 333.395 3.559 20 0 EHADHM COCCCCCSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826155816 947491983 /nfs/dbraw/zinc/49/19/83/947491983.db2.gz CZVGAVQQHVXNRB-UHFFFAOYSA-N -1 3 346.378 3.794 20 0 EHADHM COCCCCCSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826155816 947491990 /nfs/dbraw/zinc/49/19/90/947491990.db2.gz 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C[C@@H]1C[C@]1(NC(=O)Cc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000451666682 1026197014 /nfs/dbraw/zinc/19/70/14/1026197014.db2.gz VIZDHCWOKLYQOQ-ADLMAVQZSA-N -1 3 333.790 3.779 20 0 EHADHM C[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccc([O-])c(F)c1 ZINC000192791031 1026345823 /nfs/dbraw/zinc/34/58/23/1026345823.db2.gz DWHKZFCCZVYWLJ-CYBMUJFWSA-N -1 3 339.366 3.768 20 0 EHADHM CCc1cccc(C(=O)N2CCC(COc3ccccc3)CC2)c1[O-] ZINC000531355262 1026824431 /nfs/dbraw/zinc/82/44/31/1026824431.db2.gz BWUGRHSBIMESLG-UHFFFAOYSA-N -1 3 339.435 3.886 20 0 EHADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccn(-c2c(F)cccc2F)n1 ZINC000531388961 1026880245 /nfs/dbraw/zinc/88/02/45/1026880245.db2.gz VILCBLKGXLCWPF-UHFFFAOYSA-N -1 3 349.724 3.762 20 0 EHADHM Cc1ccc(C(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000273241240 1027330879 /nfs/dbraw/zinc/33/08/79/1027330879.db2.gz BLADIRHRQWLLDQ-VQIMIIECSA-N -1 3 343.398 3.832 20 0 EHADHM Cc1nc(C2CC2)oc1C(=O)[N-]c1c2nsnc2ccc1Cl ZINC000273595499 1027510637 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O=C(c1ccc([O-])cc1)C1CCN(CCOc2ccccc2F)CC1 ZINC000078657360 1028048805 /nfs/dbraw/zinc/04/88/05/1028048805.db2.gz KPGJXNVZBRTPSC-UHFFFAOYSA-N -1 3 343.398 3.505 20 0 EHADHM CC(C)(C)c1coc(CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)n1 ZINC000889554859 1028113207 /nfs/dbraw/zinc/11/32/07/1028113207.db2.gz TXPCXPDKGFZLLQ-UHFFFAOYSA-N -1 3 342.317 3.627 20 0 EHADHM Cc1nc(Nc2ccc([O-])c(F)c2F)nc(C)c1Br ZINC001211997690 1028254397 /nfs/dbraw/zinc/25/43/97/1028254397.db2.gz GIDPOFZRNZMHRT-UHFFFAOYSA-N -1 3 330.132 3.583 20 0 EHADHM Cc1c(C(=O)NCc2ccc([O-])c(F)c2)sc2nccc(C)c12 ZINC000523424333 1028321481 /nfs/dbraw/zinc/32/14/81/1028321481.db2.gz RTKWJKNVLPDJLV-UHFFFAOYSA-N -1 3 330.384 3.688 20 0 EHADHM [O-]c1cccc(CN2CCC[C@]3(CCCOC3)C2)c1Br ZINC000459376908 1028344957 /nfs/dbraw/zinc/34/49/57/1028344957.db2.gz OFEFJZQALIWJLP-INIZCTEOSA-N -1 3 340.261 3.547 20 0 EHADHM COc1cc(C(=O)N2CCC[C@H]2C2CCCCC2)cc(OC)c1[O-] ZINC000161975264 1028386469 /nfs/dbraw/zinc/38/64/69/1028386469.db2.gz 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Cc1nc(C)c(CCC(=O)N[C@H](C2CCC2)C2CCCCC2)c(=O)[n-]1 ZINC000648589955 1029637676 /nfs/dbraw/zinc/63/76/76/1029637676.db2.gz SWOKXUNULICLBG-IBGZPJMESA-N -1 3 345.487 3.597 20 0 EHADHM Cc1c2cc(C)c(C)cc2sc1C(=O)NCc1cnc(C)[n-]c1=O ZINC000446428357 1029641597 /nfs/dbraw/zinc/64/15/97/1029641597.db2.gz SKQUUHLZYOUTBB-UHFFFAOYSA-N -1 3 341.436 3.561 20 0 EHADHM C[C@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@H](C)S1 ZINC000525261128 1029773308 /nfs/dbraw/zinc/77/33/08/1029773308.db2.gz KVTURRGBIWUNRW-GJZGRUSLSA-N -1 3 341.476 3.949 20 0 EHADHM CCOc1cccc2cc([C@@H](C)NC(=O)c3c([O-])cccc3O)oc21 ZINC000447550397 1030262256 /nfs/dbraw/zinc/26/22/56/1030262256.db2.gz HOMDUHGHYSUDFH-LLVKDONJSA-N -1 3 341.363 3.734 20 0 EHADHM CCOCCN(Cc1ccc(C(=O)[O-])o1)C[C@@H]1CCCCC1(F)F ZINC000583636110 1030316014 /nfs/dbraw/zinc/31/60/14/1030316014.db2.gz JASGNSCXSCPKLY-ZDUSSCGKSA-N -1 3 345.386 3.642 20 0 EHADHM CCCCCc1nnc([N-]C(=O)c2cc(F)c(F)c(F)c2)s1 ZINC000482378723 1030364245 /nfs/dbraw/zinc/36/42/45/1030364245.db2.gz HUQQHQAGACYICM-UHFFFAOYSA-N -1 3 329.347 3.940 20 0 EHADHM Cc1ccc([O-])c(NC(=O)c2ccc(Br)c(C)c2F)n1 ZINC000447635917 1030374416 /nfs/dbraw/zinc/37/44/16/1030374416.db2.gz DZKAOQHSMKWRFH-UHFFFAOYSA-N -1 3 339.164 3.558 20 0 EHADHM CCCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(OC)c(F)c2)cc1 ZINC000583670010 1030425892 /nfs/dbraw/zinc/42/58/92/1030425892.db2.gz VHQNTLLJVLOQKF-SFHVURJKSA-N -1 3 347.386 3.539 20 0 EHADHM CN(C)[C@H]1CCOc2c(NC(=O)c3cc(Cl)ccc3[O-])cccc21 ZINC000447730699 1030441304 /nfs/dbraw/zinc/44/13/04/1030441304.db2.gz QXLIIYHNSRKCDT-HNNXBMFYSA-N -1 3 346.814 3.683 20 0 EHADHM CCc1ccc([O-])c(C(=O)Nc2ccccc2NC(=O)NC(C)C)c1 ZINC000537640157 1030553965 /nfs/dbraw/zinc/55/39/65/1030553965.db2.gz DSZACHPPLRPFRF-UHFFFAOYSA-N -1 3 341.411 3.737 20 0 EHADHM CSc1ccc([O-])c(C(=O)N[C@H](c2nc(C3CC3)no2)C(C)C)c1 ZINC000668094124 1030605217 /nfs/dbraw/zinc/60/52/17/1030605217.db2.gz BGTOWJLALJJFHL-AWEZNQCLSA-N -1 3 347.440 3.502 20 0 EHADHM CCCC[C@H](C)N(CCCC)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000458658795 1030607171 /nfs/dbraw/zinc/60/71/71/1030607171.db2.gz OBTOTQCJNPSMDH-NSHDSACASA-N -1 3 349.401 3.714 20 0 EHADHM O=c1[n-]c(CN[C@H](c2cccnc2)C2CC2)nc2c3ccccc3oc21 ZINC000527076593 1030632471 /nfs/dbraw/zinc/63/24/71/1030632471.db2.gz HEHBVEOMOKQULY-KRWDZBQOSA-N -1 3 346.390 3.718 20 0 EHADHM O=C(c1ccccc1[O-])N1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000122827718 1030740757 /nfs/dbraw/zinc/74/07/57/1030740757.db2.gz DNDHKVUFDXPFFM-ZDUSSCGKSA-N -1 3 331.799 3.729 20 0 EHADHM Cc1cc(C)c(C(=O)Nc2cccc([O-])c2F)c(OC2CCC2)n1 ZINC000527460969 1030912133 /nfs/dbraw/zinc/91/21/33/1030912133.db2.gz MOVSQPYYZCSFFC-UHFFFAOYSA-N -1 3 330.359 3.727 20 0 EHADHM CCC(CC)c1nnc([N-]C(=O)c2ncnc3sccc32)s1 ZINC000666969336 1031122293 /nfs/dbraw/zinc/12/22/93/1031122293.db2.gz NQKOQUJJEAOKNB-UHFFFAOYSA-N -1 3 333.442 3.699 20 0 EHADHM Cc1csc([C@H](C)NCc2cccc([O-])c2Br)n1 ZINC000315030823 1031267595 /nfs/dbraw/zinc/26/75/95/1031267595.db2.gz MQGPQYVGQMMFRS-VIFPVBQESA-N -1 3 327.247 3.770 20 0 EHADHM Cc1ccc(-c2noc([C@@H](C)NCc3cc([O-])cc(F)c3)n2)cc1F ZINC000483656062 1031273814 /nfs/dbraw/zinc/27/38/14/1031273814.db2.gz FRUGCLPCYLUYLK-LLVKDONJSA-N -1 3 345.349 3.880 20 0 EHADHM CC(C)(C)OC(=O)c1ccc(C[S@@](=O)c2ccc([O-])cc2)cc1 ZINC000151365000 1031371318 /nfs/dbraw/zinc/37/13/18/1031371318.db2.gz DCAAHTRBLZNERB-QHCPKHFHSA-N -1 3 332.421 3.655 20 0 EHADHM CCN(Cc1ccc(Cl)s1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448636151 1031405258 /nfs/dbraw/zinc/40/52/58/1031405258.db2.gz XUQRYJCOJQDCBK-UHFFFAOYSA-N -1 3 327.808 3.837 20 0 EHADHM CCCN(C(=O)c1cc2c(cc1[O-])OCO2)[C@H]1CCc2ccccc21 ZINC000436540504 1031608422 /nfs/dbraw/zinc/60/84/22/1031608422.db2.gz PDBWJNYBFRLRGY-INIZCTEOSA-N -1 3 339.391 3.661 20 0 EHADHM Cc1c(C(=O)Nc2cccc([O-])c2F)cnn1-c1ccc(C)cc1 ZINC000551761412 1031627482 /nfs/dbraw/zinc/62/74/82/1031627482.db2.gz SJLPWVXZTZYDQK-UHFFFAOYSA-N -1 3 325.343 3.586 20 0 EHADHM C[C@@H]1CCC[C@@H]([C@H](CNCc2nc3ccccc3o2)CC(=O)[O-])C1 ZINC000904032361 1031638921 /nfs/dbraw/zinc/63/89/21/1031638921.db2.gz MLNKXXVGJAHUAG-KFWWJZLASA-N -1 3 330.428 3.835 20 0 EHADHM COc1cc(Cl)c(CN[C@H]2C=CC[C@H](C(=O)[O-])C2)cc1Cl ZINC000904035317 1031648050 /nfs/dbraw/zinc/64/80/50/1031648050.db2.gz JZLJTEIEQHLFAK-ONGXEEELSA-N -1 3 330.211 3.511 20 0 EHADHM CCC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000448791052 1031652980 /nfs/dbraw/zinc/65/29/80/1031652980.db2.gz CRGFPRSCMBBYAY-RHSMWYFYSA-N -1 3 339.439 3.900 20 0 EHADHM CCOc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(C)c2)cc1F ZINC000904045669 1031665051 /nfs/dbraw/zinc/66/50/51/1031665051.db2.gz MPDJPXOVLJLGNC-KRWDZBQOSA-N -1 3 331.387 3.838 20 0 EHADHM CC(C)(C(=O)[O-])[C@@H](NCc1cn[nH]c1)c1cc(Cl)cc(Cl)c1 ZINC000904026228 1031669183 /nfs/dbraw/zinc/66/91/83/1031669183.db2.gz QREJQWMSLDPESG-ZDUSSCGKSA-N -1 3 342.226 3.658 20 0 EHADHM COc1cccc(C(=O)CCCC(=O)Nc2cccc([O-])c2F)c1 ZINC000551919740 1031771996 /nfs/dbraw/zinc/77/19/96/1031771996.db2.gz AHAQKYNHWZDQBG-UHFFFAOYSA-N -1 3 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Cc1nc(Nc2ccc(Cl)c([O-])c2)cc(N2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001212589541 1132731219 /nfs/dbraw/zinc/73/12/19/1132731219.db2.gz QUZFLDCIZYJCTJ-PHIMTYICSA-N -1 3 348.834 3.501 20 0 EHADHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc(C)c2ccccc12 ZINC001169416126 1132748192 /nfs/dbraw/zinc/74/81/92/1132748192.db2.gz BJOLKUXMRKIBHK-UHFFFAOYSA-N -1 3 345.406 3.949 20 0 EHADHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(C)c2ccccc12 ZINC001169416126 1132748196 /nfs/dbraw/zinc/74/81/96/1132748196.db2.gz BJOLKUXMRKIBHK-UHFFFAOYSA-N -1 3 345.406 3.949 20 0 EHADHM [O-]c1cccnc1CNc1ccc(OCCCc2ccccn2)cc1 ZINC001169732162 1132842983 /nfs/dbraw/zinc/84/29/83/1132842983.db2.gz IDRKBGLKYFJZDI-UHFFFAOYSA-N -1 3 335.407 3.806 20 0 EHADHM Cc1ccc(N(CC2CC2)C(=O)Cc2ccc([O-])c(F)c2)cc1F ZINC001150573597 1132903549 /nfs/dbraw/zinc/90/35/49/1132903549.db2.gz FUMCUEIIDXVJKJ-UHFFFAOYSA-N -1 3 331.362 3.965 20 0 EHADHM O=C(Nc1ccc(O)cc1[O-])c1ccccc1C(=O)c1ccccc1 ZINC001176488806 1132946186 /nfs/dbraw/zinc/94/61/86/1132946186.db2.gz NMCRUUKOHHLXGF-UHFFFAOYSA-N -1 3 333.343 3.581 20 0 EHADHM O=C(c1ccc(F)c(Nc2ncc(Cl)cc2[O-])c1)N1CCCCC1 ZINC001176683528 1132982591 /nfs/dbraw/zinc/98/25/91/1132982591.db2.gz MBKUBDCZSAWUQV-UHFFFAOYSA-N -1 3 349.793 3.949 20 0 EHADHM COc1cc(S(=O)(=O)[N-]c2cc(C)ccc2Cl)cnc1Cl ZINC000767473518 1133004383 /nfs/dbraw/zinc/00/43/83/1133004383.db2.gz VOKHGJYQWRYSAQ-UHFFFAOYSA-N -1 3 347.223 3.506 20 0 EHADHM C[C@@H]1CC[C@](C)(C=CC(=O)NCc2cc(=O)[n-]c(C3CC3)n2)C1(C)C ZINC001177649442 1133092219 /nfs/dbraw/zinc/09/22/19/1133092219.db2.gz LQYJEHNZLDLAKX-BAUKPQGGSA-N -1 3 343.471 3.694 20 0 EHADHM Cc1cc(C)cc(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)c1 ZINC001179948753 1133303878 /nfs/dbraw/zinc/30/38/78/1133303878.db2.gz IOYJWVVYFSHACC-UHFFFAOYSA-N -1 3 349.390 3.636 20 0 EHADHM Cc1cc(C)cc(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)c1 ZINC001179948753 1133303888 /nfs/dbraw/zinc/30/38/88/1133303888.db2.gz IOYJWVVYFSHACC-UHFFFAOYSA-N -1 3 349.390 3.636 20 0 EHADHM COc1cccc([N-]S(=O)(=O)c2cccc3ccccc32)c1F ZINC000769890916 1133363787 /nfs/dbraw/zinc/36/37/87/1133363787.db2.gz QQJSIBOLAAPASM-UHFFFAOYSA-N -1 3 331.368 3.788 20 0 EHADHM COc1cccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1F ZINC000769891975 1133363948 /nfs/dbraw/zinc/36/39/48/1133363948.db2.gz UJYFDLCMMAXWSA-UHFFFAOYSA-N -1 3 337.416 3.834 20 0 EHADHM CC(C)c1ccc(C(=O)N[C@@H]2COc3c(F)cc(F)cc3C2)c([O-])c1 ZINC001180578329 1133388109 /nfs/dbraw/zinc/38/81/09/1133388109.db2.gz LJFVEZBZHYYLJJ-AWEZNQCLSA-N -1 3 347.361 3.527 20 0 EHADHM O=C(CSc1c(Cl)cccc1Cl)NCc1ncccc1[O-] ZINC001182165540 1133581697 /nfs/dbraw/zinc/58/16/97/1133581697.db2.gz YIXPBQFZKBIPQA-UHFFFAOYSA-N -1 3 343.235 3.503 20 0 EHADHM COCc1cccc(CO[N-]C(=O)Cc2cccc3ccccc32)c1 ZINC000746556824 1133745676 /nfs/dbraw/zinc/74/56/76/1133745676.db2.gz CLGXFZGAAKEKAS-UHFFFAOYSA-N -1 3 335.403 3.777 20 0 EHADHM O=C(Cc1c[nH]c2ccccc12)C(=O)[N-]c1cc(C2CCCC2)no1 ZINC001183094255 1133767967 /nfs/dbraw/zinc/76/79/67/1133767967.db2.gz PCHLQLFTIQAGLY-UHFFFAOYSA-N -1 3 337.379 3.564 20 0 EHADHM CC(C)[C@H](OC(=O)c1cc2occc2[n-]1)C(=O)Nc1ccccc1F ZINC000786029513 1133787748 /nfs/dbraw/zinc/78/77/48/1133787748.db2.gz FAZCIDZUFQMXIM-INIZCTEOSA-N -1 3 344.342 3.720 20 0 EHADHM C[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)c1cc2sccc2c([O-])c1 ZINC000786130095 1133811746 /nfs/dbraw/zinc/81/17/46/1133811746.db2.gz ACSMVOBUKVQXOT-TXEJJXNPSA-N -1 3 347.436 3.553 20 0 EHADHM CC(C)(CC(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccccc1Cl ZINC001183863514 1133872684 /nfs/dbraw/zinc/87/26/84/1133872684.db2.gz ACWDJYWUECRANC-UHFFFAOYSA-N -1 3 346.740 3.783 20 0 EHADHM CC(C)(CC(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccccc1Cl ZINC001183863514 1133872688 /nfs/dbraw/zinc/87/26/88/1133872688.db2.gz ACWDJYWUECRANC-UHFFFAOYSA-N -1 3 346.740 3.783 20 0 EHADHM Cc1cc(C(=O)COC(=O)CCCc2ccc([O-])c(F)c2)ccc1F ZINC000787845860 1134047392 /nfs/dbraw/zinc/04/73/92/1134047392.db2.gz RAGAEAQWFCSLDA-UHFFFAOYSA-N -1 3 348.345 3.728 20 0 EHADHM O=S(=O)(C[C@@H]1CCCOC1)[N-]c1ccccc1-c1cccs1 ZINC000788138771 1134084285 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COC(=O)c1cc([O-])c(F)cc1NC(=O)c1ccccc1C(F)F ZINC001188284040 1134450132 /nfs/dbraw/zinc/45/01/32/1134450132.db2.gz GYMHOTYAEFUSLJ-UHFFFAOYSA-N -1 3 339.269 3.508 20 0 EHADHM COC(=O)c1cccc([O-])c1NC(=O)Nc1cccc(Cl)c1F ZINC001188410479 1134466471 /nfs/dbraw/zinc/46/64/71/1134466471.db2.gz KRZVISROIJUPEE-UHFFFAOYSA-N -1 3 338.722 3.615 20 0 EHADHM COc1ccc(NC(=O)Nc2nc3c(cccc3[O-])s2)c(OC)c1 ZINC001188499248 1134474187 /nfs/dbraw/zinc/47/41/87/1134474187.db2.gz QMRWTSIBCGOPTF-UHFFFAOYSA-N -1 3 345.380 3.663 20 0 EHADHM Cc1cccc([O-])c1C(=O)Nc1ccnc(Cl)c1OC(F)(F)F ZINC001188640652 1134492489 /nfs/dbraw/zinc/49/24/89/1134492489.db2.gz UKCKFDWYJLQBBE-UHFFFAOYSA-N -1 3 346.692 3.900 20 0 EHADHM CCOC(=O)c1nc(C)oc1[N-]C(=O)Nc1cc(Cl)ccc1C ZINC001188703230 1134496085 /nfs/dbraw/zinc/49/60/85/1134496085.db2.gz UJPGWAXXWJMJHV-UHFFFAOYSA-N -1 3 337.763 3.766 20 0 EHADHM CC(=O)Nc1ccc(OC(=O)c2cc3sccc3c([O-])c2)cc1 ZINC000791301195 1134527776 /nfs/dbraw/zinc/52/77/76/1134527776.db2.gz 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O=C(NCc1ncccc1[O-])c1cc(-c2ccco2)nc2ccccc21 ZINC000792619529 1134749089 /nfs/dbraw/zinc/74/90/89/1134749089.db2.gz KKVOTCYXHYGFIP-UHFFFAOYSA-N -1 3 345.358 3.525 20 0 EHADHM O=C(Nc1cncc([O-])c1)Nc1cc(Br)ccc1Cl ZINC001190851559 1134759459 /nfs/dbraw/zinc/75/94/59/1134759459.db2.gz FHZZHIUAMMSQOE-UHFFFAOYSA-N -1 3 342.580 3.847 20 0 EHADHM O=C(Nc1ccc2[nH][n-]c(=O)c2c1)c1ccncc1-c1ccccc1 ZINC001191900311 1134942101 /nfs/dbraw/zinc/94/21/01/1134942101.db2.gz KGOPYIZXTWFOLZ-UHFFFAOYSA-N -1 3 330.347 3.583 20 0 EHADHM CC(C)(C)c1ccc(C(=O)N2CC(F)(F)C[C@@]2(C)CF)c([O-])c1 ZINC001192313403 1134997251 /nfs/dbraw/zinc/99/72/51/1134997251.db2.gz DHWNYISXVIWFNF-INIZCTEOSA-N -1 3 329.362 3.899 20 0 EHADHM CCOC(=O)c1nc(C2CC2)oc1[N-]C(=O)Nc1ccc(F)c(C)c1 ZINC001192356718 1135005399 /nfs/dbraw/zinc/00/53/99/1135005399.db2.gz LDOSRQHGYAGJDZ-UHFFFAOYSA-N -1 3 347.346 3.820 20 0 EHADHM COc1cc(CNC(=O)Nc2ccc(F)c(C)c2)cc(Cl)c1[O-] ZINC001192408796 1135015645 /nfs/dbraw/zinc/01/56/45/1135015645.db2.gz 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MEANNAZRHPRQEH-AWEZNQCLSA-N -1 3 342.447 3.547 20 0 EHADHM c1csc([C@H](Cc2ccccc2)Nc2ncccc2-c2nnn[n-]2)c1 ZINC000738428233 599207725 /nfs/dbraw/zinc/20/77/25/599207725.db2.gz MSXRZAKOYLFNQJ-HNNXBMFYSA-N -1 3 348.435 3.719 20 0 EHADHM c1csc([C@H](Cc2ccccc2)Nc2ncccc2-c2nn[n-]n2)c1 ZINC000738428233 599207727 /nfs/dbraw/zinc/20/77/27/599207727.db2.gz MSXRZAKOYLFNQJ-HNNXBMFYSA-N -1 3 348.435 3.719 20 0 EHADHM CCCCN(CCCC)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821066132 607285565 /nfs/dbraw/zinc/28/55/65/607285565.db2.gz QVULLFALHKMFHG-UHFFFAOYSA-N -1 3 330.436 3.609 20 0 EHADHM CCCCN(CCCC)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821066132 607285566 /nfs/dbraw/zinc/28/55/66/607285566.db2.gz QVULLFALHKMFHG-UHFFFAOYSA-N -1 3 330.436 3.609 20 0 EHADHM c1cc(-c2nnn[n-]2)sc1CNc1ccc(N2CCCCC2)cc1 ZINC000823757907 607308705 /nfs/dbraw/zinc/30/87/05/607308705.db2.gz XMSIDSQFUNJGIE-UHFFFAOYSA-N -1 3 340.456 3.531 20 0 EHADHM c1cc(-c2nn[n-]n2)sc1CNc1ccc(N2CCCCC2)cc1 ZINC000823757907 607308706 /nfs/dbraw/zinc/30/87/06/607308706.db2.gz XMSIDSQFUNJGIE-UHFFFAOYSA-N -1 3 340.456 3.531 20 0 EHADHM CCc1ccccc1C(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821492881 607309173 /nfs/dbraw/zinc/30/91/73/607309173.db2.gz YEQHMJGFHJCUCF-UHFFFAOYSA-N -1 3 349.438 3.732 20 0 EHADHM CCc1ccccc1C(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821492881 607309174 /nfs/dbraw/zinc/30/91/74/607309174.db2.gz YEQHMJGFHJCUCF-UHFFFAOYSA-N -1 3 349.438 3.732 20 0 EHADHM CCc1ccc([C@H]2CCCN2c2c(F)cc(-c3nnn[n-]3)cc2F)o1 ZINC000736684535 599266098 /nfs/dbraw/zinc/26/60/98/599266098.db2.gz HNUSITPSQMBHIG-CQSZACIVSA-N -1 3 345.353 3.642 20 0 EHADHM CCc1ccc([C@H]2CCCN2c2c(F)cc(-c3nn[n-]n3)cc2F)o1 ZINC000736684535 599266100 /nfs/dbraw/zinc/26/61/00/599266100.db2.gz HNUSITPSQMBHIG-CQSZACIVSA-N -1 3 345.353 3.642 20 0 EHADHM FC(F)(F)c1csc(Oc2cc(Cl)ccc2-c2nnn[n-]2)n1 ZINC000822729012 607304719 /nfs/dbraw/zinc/30/47/19/607304719.db2.gz QKNXFAZWIGYRRZ-UHFFFAOYSA-N -1 3 347.709 3.788 20 0 EHADHM FC(F)(F)c1csc(Oc2cc(Cl)ccc2-c2nn[n-]n2)n1 ZINC000822729012 607304720 /nfs/dbraw/zinc/30/47/20/607304720.db2.gz QKNXFAZWIGYRRZ-UHFFFAOYSA-N -1 3 347.709 3.788 20 0 EHADHM CCC(CC)CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000736342240 598239267 /nfs/dbraw/zinc/23/92/67/598239267.db2.gz MXWLFRRLRNPFIH-UHFFFAOYSA-N -1 3 349.438 3.700 20 0 EHADHM CCC(CC)CNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000736342240 598239268 /nfs/dbraw/zinc/23/92/68/598239268.db2.gz MXWLFRRLRNPFIH-UHFFFAOYSA-N -1 3 349.438 3.700 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCc2cc(Cl)ccc21 ZINC000737641158 598242460 /nfs/dbraw/zinc/24/24/60/598242460.db2.gz TVHWFUAVPZJLSD-CQSZACIVSA-N -1 3 329.766 3.759 20 0 EHADHM CCOc1ccccc1[C@H](C)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000736654274 598243124 /nfs/dbraw/zinc/24/31/24/598243124.db2.gz IPXXQBPNBIJLHW-NSHDSACASA-N -1 3 327.363 3.578 20 0 EHADHM C[C@@H](NC(=O)c1ccccc1C(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820397984 607347068 /nfs/dbraw/zinc/34/70/68/607347068.db2.gz YMFSISMFGMPPAR-CYBMUJFWSA-N -1 3 349.438 3.655 20 0 EHADHM C[C@@H](NC(=O)c1ccccc1C(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820397984 607347069 /nfs/dbraw/zinc/34/70/69/607347069.db2.gz YMFSISMFGMPPAR-CYBMUJFWSA-N -1 3 349.438 3.655 20 0 EHADHM CC[C@@H](COC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736355042 598331189 /nfs/dbraw/zinc/33/11/89/598331189.db2.gz XDOFSKJOQUGFHJ-LHNRBYRGSA-N -1 3 348.406 3.617 20 0 EHADHM CC[C@@H](COC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000736355042 598331191 /nfs/dbraw/zinc/33/11/91/598331191.db2.gz XDOFSKJOQUGFHJ-LHNRBYRGSA-N -1 3 348.406 3.617 20 0 EHADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@@H]1CCSc2ccccc21 ZINC000737559405 598390072 /nfs/dbraw/zinc/39/00/72/598390072.db2.gz WKXNYPPWWZKDFV-GFCCVEGCSA-N -1 3 344.831 3.564 20 0 EHADHM Clc1cc(-c2nn[n-]n2)cnc1N[C@@H]1CCSc2ccccc21 ZINC000737559405 598390074 /nfs/dbraw/zinc/39/00/74/598390074.db2.gz WKXNYPPWWZKDFV-GFCCVEGCSA-N -1 3 344.831 3.564 20 0 EHADHM Cc1c(Br)cccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737201267 598395999 /nfs/dbraw/zinc/39/59/99/598395999.db2.gz BNTUIXQIZBLERE-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM Cc1c(Br)cccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737201267 598396000 /nfs/dbraw/zinc/39/60/00/598396000.db2.gz BNTUIXQIZBLERE-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM Cc1nc(-c2ccc(OCc3ccc(-c4nnn[n-]4)cc3)cc2)cs1 ZINC000737463224 598403637 /nfs/dbraw/zinc/40/36/37/598403637.db2.gz MYQZXAQFCBOSGB-UHFFFAOYSA-N -1 3 349.419 3.878 20 0 EHADHM Cc1nc(-c2ccc(OCc3ccc(-c4nn[n-]n4)cc3)cc2)cs1 ZINC000737463224 598403638 /nfs/dbraw/zinc/40/36/38/598403638.db2.gz MYQZXAQFCBOSGB-UHFFFAOYSA-N -1 3 349.419 3.878 20 0 EHADHM c1nc(-c2ccccc2)sc1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000738422538 598416207 /nfs/dbraw/zinc/41/62/07/598416207.db2.gz JAXGGHCRZWQWCO-UHFFFAOYSA-N -1 3 334.408 3.602 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ncnc2cc(Cl)ccc21 ZINC000737221478 598551310 /nfs/dbraw/zinc/55/13/10/598551310.db2.gz MYXSYDFQKIDIJA-UHFFFAOYSA-N -1 3 338.758 3.564 20 0 EHADHM CCCCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736439321 598554982 /nfs/dbraw/zinc/55/49/82/598554982.db2.gz OTGZZOVAZQSSJY-UHFFFAOYSA-N -1 3 337.383 3.788 20 0 EHADHM CCCCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736439321 598554984 /nfs/dbraw/zinc/55/49/84/598554984.db2.gz OTGZZOVAZQSSJY-UHFFFAOYSA-N -1 3 337.383 3.788 20 0 EHADHM O=C(CCCCCc1cccs1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000109102642 598567954 /nfs/dbraw/zinc/56/79/54/598567954.db2.gz CTZXRKUCZBZXCQ-UHFFFAOYSA-N -1 3 341.440 3.670 20 0 EHADHM O=C(CCCCCc1cccs1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000109102642 598567957 /nfs/dbraw/zinc/56/79/57/598567957.db2.gz CTZXRKUCZBZXCQ-UHFFFAOYSA-N -1 3 341.440 3.670 20 0 EHADHM CCOc1ccccc1CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736654435 598656251 /nfs/dbraw/zinc/65/62/51/598656251.db2.gz SZEYKPOQGHMYOF-UHFFFAOYSA-N -1 3 329.791 3.531 20 0 EHADHM CCOc1ccccc1CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736654435 598656254 /nfs/dbraw/zinc/65/62/54/598656254.db2.gz SZEYKPOQGHMYOF-UHFFFAOYSA-N -1 3 329.791 3.531 20 0 EHADHM CSc1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737189427 598657875 /nfs/dbraw/zinc/65/78/75/598657875.db2.gz GSMWXJCNUBRUGI-UHFFFAOYSA-N -1 3 331.832 3.854 20 0 EHADHM CSc1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737189427 598657876 /nfs/dbraw/zinc/65/78/76/598657876.db2.gz GSMWXJCNUBRUGI-UHFFFAOYSA-N -1 3 331.832 3.854 20 0 EHADHM Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737418426 598764715 /nfs/dbraw/zinc/76/47/15/598764715.db2.gz APYFYRLRIUBPMJ-GOSISDBHSA-N -1 3 349.438 3.692 20 0 EHADHM Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737418426 598764716 /nfs/dbraw/zinc/76/47/16/598764716.db2.gz APYFYRLRIUBPMJ-GOSISDBHSA-N -1 3 349.438 3.692 20 0 EHADHM CCOc1ccccc1CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000736654464 598794207 /nfs/dbraw/zinc/79/42/07/598794207.db2.gz UPXMUXRDJCHMSQ-UHFFFAOYSA-N -1 3 329.791 3.531 20 0 EHADHM CCOc1ccccc1CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736654464 598794209 /nfs/dbraw/zinc/79/42/09/598794209.db2.gz UPXMUXRDJCHMSQ-UHFFFAOYSA-N -1 3 329.791 3.531 20 0 EHADHM CC[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)c1ccccc1OC ZINC000736369053 598814368 /nfs/dbraw/zinc/81/43/68/598814368.db2.gz KIGXSMMXWCRRRP-CYBMUJFWSA-N -1 3 327.363 3.578 20 0 EHADHM CC[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)c1ccccc1OC ZINC000736369053 598814370 /nfs/dbraw/zinc/81/43/70/598814370.db2.gz KIGXSMMXWCRRRP-CYBMUJFWSA-N -1 3 327.363 3.578 20 0 EHADHM CC(C)(C)C[C@@H](Nc1ncccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000735593678 598814991 /nfs/dbraw/zinc/81/49/91/598814991.db2.gz MGYSORIROHIZCX-OAHLLOKOSA-N -1 3 340.406 3.990 20 0 EHADHM CC(C)(C)C[C@@H](Nc1ncccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000735593678 598814993 /nfs/dbraw/zinc/81/49/93/598814993.db2.gz MGYSORIROHIZCX-OAHLLOKOSA-N -1 3 340.406 3.990 20 0 EHADHM CC[C@H](CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C)C(C)C ZINC000736333429 598818872 /nfs/dbraw/zinc/81/88/72/598818872.db2.gz QCBVOGMATWJMDV-MRXNPFEDSA-N -1 3 343.475 3.676 20 0 EHADHM CC[C@H](CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C)C(C)C ZINC000736333429 598818873 /nfs/dbraw/zinc/81/88/73/598818873.db2.gz QCBVOGMATWJMDV-MRXNPFEDSA-N -1 3 343.475 3.676 20 0 EHADHM C[C@@H](SCc1nc2ccccc2[nH]1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192115 599326035 /nfs/dbraw/zinc/32/60/35/599326035.db2.gz KUMXLAHIIDEEHA-LLVKDONJSA-N -1 3 336.424 3.737 20 0 EHADHM C[C@@H](SCc1nc2ccccc2[nH]1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192115 599326038 /nfs/dbraw/zinc/32/60/38/599326038.db2.gz KUMXLAHIIDEEHA-LLVKDONJSA-N -1 3 336.424 3.737 20 0 EHADHM C[C@H](S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1nc(C2CC2)no1 ZINC000736187897 599326203 /nfs/dbraw/zinc/32/62/03/599326203.db2.gz CXIFTLAXSOIFBG-UWVGGRQHSA-N -1 3 342.428 3.683 20 0 EHADHM C[C@H](S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1nc(C2CC2)no1 ZINC000736187897 599326206 /nfs/dbraw/zinc/32/62/06/599326206.db2.gz CXIFTLAXSOIFBG-UWVGGRQHSA-N -1 3 342.428 3.683 20 0 EHADHM Fc1cccc(NCCOc2ccc3ccccc3c2)c1-c1nnn[n-]1 ZINC000822790997 599327631 /nfs/dbraw/zinc/32/76/31/599327631.db2.gz CUSNQAQGEZPJCZ-UHFFFAOYSA-N -1 3 349.369 3.650 20 0 EHADHM Fc1cccc(NCCOc2ccc3ccccc3c2)c1-c1nn[n-]n1 ZINC000822790997 599327633 /nfs/dbraw/zinc/32/76/33/599327633.db2.gz CUSNQAQGEZPJCZ-UHFFFAOYSA-N -1 3 349.369 3.650 20 0 EHADHM FC(F)(F)Cc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737625452 599331638 /nfs/dbraw/zinc/33/16/38/599331638.db2.gz AAYDPAPSPZMDIG-UHFFFAOYSA-N -1 3 333.317 3.584 20 0 EHADHM FC(F)(F)Cc1ccccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737625452 599331639 /nfs/dbraw/zinc/33/16/39/599331639.db2.gz AAYDPAPSPZMDIG-UHFFFAOYSA-N -1 3 333.317 3.584 20 0 EHADHM C[C@H](N[C@@H](c1ccco1)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820410806 599364429 /nfs/dbraw/zinc/36/44/29/599364429.db2.gz HAKQZVDKJNMDKJ-IFXJQAMLSA-N -1 3 345.406 3.900 20 0 EHADHM C[C@H](Cc1cccs1)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736065405 599406180 /nfs/dbraw/zinc/40/61/80/599406180.db2.gz DGJHHLTXPAJUJI-LLVKDONJSA-N -1 3 336.424 3.520 20 0 EHADHM C[C@H](Cc1cccs1)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736065405 599406182 /nfs/dbraw/zinc/40/61/82/599406182.db2.gz DGJHHLTXPAJUJI-LLVKDONJSA-N -1 3 336.424 3.520 20 0 EHADHM Cc1ccc([C@H](C)Nc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000737321684 599414523 /nfs/dbraw/zinc/41/45/23/599414523.db2.gz UZTVTBQFXREFTO-ZDUSSCGKSA-N -1 3 330.395 3.896 20 0 EHADHM Cc1ccc([C@H](C)Nc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000737321684 599414528 /nfs/dbraw/zinc/41/45/28/599414528.db2.gz UZTVTBQFXREFTO-ZDUSSCGKSA-N -1 3 330.395 3.896 20 0 EHADHM C[C@H](Nc1c(Cl)cccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000820449886 599465028 /nfs/dbraw/zinc/46/50/28/599465028.db2.gz DKQZUWYFPHHTMR-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@H](Nc1c(Cl)cccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000820449886 599465030 /nfs/dbraw/zinc/46/50/30/599465030.db2.gz DKQZUWYFPHHTMR-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM Cc1ccc(SCCNc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000822270996 599465766 /nfs/dbraw/zinc/46/57/66/599465766.db2.gz HMKWCAHNRVPWGZ-UHFFFAOYSA-N -1 3 329.404 3.518 20 0 EHADHM Cc1ccc(SCCNc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000822270996 599465767 /nfs/dbraw/zinc/46/57/67/599465767.db2.gz HMKWCAHNRVPWGZ-UHFFFAOYSA-N -1 3 329.404 3.518 20 0 EHADHM CCC(=CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820833589 599519160 /nfs/dbraw/zinc/51/91/60/599519160.db2.gz ZKZTYNUTSOXSFS-MRPLLJTBSA-N -1 3 347.422 3.538 20 0 EHADHM CCC(=CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820833589 599519163 /nfs/dbraw/zinc/51/91/63/599519163.db2.gz ZKZTYNUTSOXSFS-MRPLLJTBSA-N -1 3 347.422 3.538 20 0 EHADHM CCCC[C@@H](CC)CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821039162 599534650 /nfs/dbraw/zinc/53/46/50/599534650.db2.gz ARTAJHVSCPPPED-UONOGXRCSA-N -1 3 329.448 3.650 20 0 EHADHM CCCC[C@@H](CC)CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821039162 599534652 /nfs/dbraw/zinc/53/46/52/599534652.db2.gz ARTAJHVSCPPPED-UONOGXRCSA-N -1 3 329.448 3.650 20 0 EHADHM CC[C@@H](CC(=O)Nc1ccccc1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000736333468 599539446 /nfs/dbraw/zinc/53/94/46/599539446.db2.gz QYYMQBDYTQFRNX-AWEZNQCLSA-N -1 3 335.411 3.698 20 0 EHADHM CC[C@@H](CC(=O)Nc1ccccc1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000736333468 599539448 /nfs/dbraw/zinc/53/94/48/599539448.db2.gz QYYMQBDYTQFRNX-AWEZNQCLSA-N -1 3 335.411 3.698 20 0 EHADHM CCc1ccc([C@@H](C)CC(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736685571 599544958 /nfs/dbraw/zinc/54/49/58/599544958.db2.gz GXFOLVFZQXWTDW-AWEZNQCLSA-N -1 3 349.438 3.586 20 0 EHADHM CCc1ccc([C@@H](C)CC(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736685571 599544960 /nfs/dbraw/zinc/54/49/60/599544960.db2.gz GXFOLVFZQXWTDW-AWEZNQCLSA-N -1 3 349.438 3.586 20 0 EHADHM CCS[C@H]1CCCCN(c2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000821457547 599553074 /nfs/dbraw/zinc/55/30/74/599553074.db2.gz WXEZKYXBXGPDBA-NSHDSACASA-N -1 3 337.880 3.632 20 0 EHADHM CCS[C@H]1CCCCN(c2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000821457547 599553077 /nfs/dbraw/zinc/55/30/77/599553077.db2.gz WXEZKYXBXGPDBA-NSHDSACASA-N -1 3 337.880 3.632 20 0 EHADHM C[C@@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1Cl ZINC000820455957 599563105 /nfs/dbraw/zinc/56/31/05/599563105.db2.gz OPTQCJPVSYFLGO-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1Cl ZINC000820455957 599563108 /nfs/dbraw/zinc/56/31/08/599563108.db2.gz OPTQCJPVSYFLGO-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM COc1ccc([C@@H](C)CCNc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821777266 599588013 /nfs/dbraw/zinc/58/80/13/599588013.db2.gz CQCVAXIUGDEALV-LBPRGKRZSA-N -1 3 341.390 3.620 20 0 EHADHM COc1ccc([C@@H](C)CCNc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821777266 599588014 /nfs/dbraw/zinc/58/80/14/599588014.db2.gz CQCVAXIUGDEALV-LBPRGKRZSA-N -1 3 341.390 3.620 20 0 EHADHM COc1ccc(CCC2CCN(Cc3cc(C(=O)[O-])co3)CC2)cc1 ZINC000569732058 599845665 /nfs/dbraw/zinc/84/56/65/599845665.db2.gz FKFWNTQIJAQROX-UHFFFAOYSA-N -1 3 343.423 3.831 20 0 EHADHM COc1ccc([C@H](NCc2cccc(C(F)(F)F)c2)C(=O)[O-])cc1 ZINC000737971700 599860637 /nfs/dbraw/zinc/86/06/37/599860637.db2.gz TYVRSMOVVHSZNT-HNNXBMFYSA-N -1 3 339.313 3.630 20 0 EHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000736714000 599867291 /nfs/dbraw/zinc/86/72/91/599867291.db2.gz FPPCWDLVWNPNEL-KPZWWZAWSA-N -1 3 347.386 3.624 20 0 EHADHM CCC[C@](C)(NCc1csc(-c2ccc(OCC)cc2)n1)C(=O)[O-] ZINC000736962324 600321580 /nfs/dbraw/zinc/32/15/80/600321580.db2.gz HMFWZOKZLOVAQV-SFHVURJKSA-N -1 3 348.468 3.942 20 0 EHADHM CN(C)Cc1c2ccccc2oc1C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000737368347 600404175 /nfs/dbraw/zinc/40/41/75/600404175.db2.gz MZQJJUSYNDVYEG-UHFFFAOYSA-N -1 3 344.392 3.506 20 0 EHADHM CCN(CCC(=O)[O-])Cn1ccc(-c2cc(Cl)ccc2Cl)n1 ZINC000737096641 600423040 /nfs/dbraw/zinc/42/30/40/600423040.db2.gz PMRMXWDHEQYRQH-UHFFFAOYSA-N -1 3 342.226 3.611 20 0 EHADHM COc1ccc([C@H](C)N[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1OC ZINC000737951493 600425610 /nfs/dbraw/zinc/42/56/10/600425610.db2.gz VWYHBAJPXXALKD-GTNSWQLSSA-N -1 3 349.814 3.834 20 0 EHADHM O=C([O-])c1coc(CN2CCC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000740268567 600430158 /nfs/dbraw/zinc/43/01/58/600430158.db2.gz HCZCNVZBXNDYQC-LBPRGKRZSA-N -1 3 342.420 3.967 20 0 EHADHM C[C@@H](CN(Cc1cc(Br)ccc1Cl)C1CC1)C(=O)[O-] ZINC000574525779 600545969 /nfs/dbraw/zinc/54/59/69/600545969.db2.gz NWVYNBYKRRXLEG-VIFPVBQESA-N -1 3 346.652 3.788 20 0 EHADHM CSc1ccc([C@H](C)NCc2cccc(OCC(=O)[O-])c2)cc1 ZINC000832774223 600864708 /nfs/dbraw/zinc/86/47/08/600864708.db2.gz HDKOFTKHTPOZTK-ZDUSSCGKSA-N -1 3 331.437 3.723 20 0 EHADHM C[C@@H](C(=O)[O-])[C@H](NCc1ccccc1OC(F)F)c1ccccc1 ZINC000826055402 601206407 /nfs/dbraw/zinc/20/64/07/601206407.db2.gz ZVYFBDFWCVBXCQ-WBMJQRKESA-N -1 3 335.350 3.840 20 0 EHADHM CCc1oc(C(=O)[O-])cc1CN1CCS[C@H](c2ccccc2)C1 ZINC000830376203 601420165 /nfs/dbraw/zinc/42/01/65/601420165.db2.gz VHRULFTWHNNTOV-KRWDZBQOSA-N -1 3 331.437 3.830 20 0 EHADHM O=C([O-])c1ccc(CN2CCC(OCc3ccccc3)CC2)cc1F ZINC000383714228 601615754 /nfs/dbraw/zinc/61/57/54/601615754.db2.gz RVMJBHGUALMIEO-UHFFFAOYSA-N -1 3 343.398 3.705 20 0 EHADHM COc1c(C)cc(CN(C)Cc2ccc(C(=O)[O-])c(F)c2)cc1C ZINC000831847957 601626930 /nfs/dbraw/zinc/62/69/30/601626930.db2.gz WKXCOWOWPWLGKE-UHFFFAOYSA-N -1 3 331.387 3.781 20 0 EHADHM O=C([O-])c1cc(CNC2(c3cccc(C(F)(F)F)c3)CCC2)c[nH]1 ZINC000833296609 601834595 /nfs/dbraw/zinc/83/45/95/601834595.db2.gz LRVRDBOZSWBJDL-UHFFFAOYSA-N -1 3 338.329 3.901 20 0 EHADHM COc1cc(OC)cc([C@H](N[C@@H](C)c2cccc(C)c2C)C(=O)[O-])c1 ZINC000832049610 602172930 /nfs/dbraw/zinc/17/29/30/602172930.db2.gz JFIKXABNERNYJL-LIRRHRJNSA-N -1 3 343.423 3.797 20 0 EHADHM Cc1ccc(OCc2nc(CN[C@H](C(=O)[O-])C(C)(C)C)cs2)cc1 ZINC000756337407 602227790 /nfs/dbraw/zinc/22/77/90/602227790.db2.gz FECKDFOCCGUTHL-MRXNPFEDSA-N -1 3 348.468 3.619 20 0 EHADHM Cc1ccsc1CCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000826277960 607675348 /nfs/dbraw/zinc/67/53/48/607675348.db2.gz NBQXQVPADQNQMN-UHFFFAOYSA-N -1 3 341.440 3.506 20 0 EHADHM Cc1ccsc1CCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000826277960 607675350 /nfs/dbraw/zinc/67/53/50/607675350.db2.gz NBQXQVPADQNQMN-UHFFFAOYSA-N -1 3 341.440 3.506 20 0 EHADHM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2cnc(-c3ccccc3)s2)C1 ZINC000825272643 604229575 /nfs/dbraw/zinc/22/95/75/604229575.db2.gz MQCZNTPRPDQVNI-HIFRSBDPSA-N -1 3 345.468 3.678 20 0 EHADHM C[C@@H](c1cccc(Br)c1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405357658 604347723 /nfs/dbraw/zinc/34/77/23/604347723.db2.gz LIJOSRNNVJGTIY-SMDDNHRTSA-N -1 3 338.245 3.697 20 0 EHADHM C[C@H](c1cccc(Br)c1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405357654 604347821 /nfs/dbraw/zinc/34/78/21/604347821.db2.gz LIJOSRNNVJGTIY-BXUZGUMPSA-N -1 3 338.245 3.697 20 0 EHADHM C[C@H](c1cccc(C(F)(F)F)c1)N(C)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833547724 604533088 /nfs/dbraw/zinc/53/30/88/604533088.db2.gz IMROFHSKFJAULL-SNVBAGLBSA-N -1 3 326.318 3.925 20 0 EHADHM C[C@@H](Oc1ccc(CN2CCC[C@H]2c2ccsc2)cc1)C(=O)[O-] ZINC000833538514 604535212 /nfs/dbraw/zinc/53/52/12/604535212.db2.gz DBXXNFOTBKLYPT-DYVFJYSZSA-N -1 3 331.437 3.937 20 0 EHADHM O=C([O-])[C@@H]1CC12CCN(Cc1ccc(-c3ccncc3)cc1F)CC2 ZINC000833771890 604648079 /nfs/dbraw/zinc/64/80/79/604648079.db2.gz TUJZJLNOCBQVSO-KRWDZBQOSA-N -1 3 340.398 3.574 20 0 EHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2coc(-c3ccccc3)n2)C1 ZINC000325266367 604930794 /nfs/dbraw/zinc/93/07/94/604930794.db2.gz LDYDJYCNOWAUFA-OAHLLOKOSA-N -1 3 328.412 3.664 20 0 EHADHM COc1ccc(-c2ccc(CN[C@H](C(=O)[O-])c3cccnc3)cc2)cc1 ZINC000832115884 605004455 /nfs/dbraw/zinc/00/44/55/605004455.db2.gz BCJHFJPWQRLYCE-FQEVSTJZSA-N -1 3 348.402 3.673 20 0 EHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000652435212 605057476 /nfs/dbraw/zinc/05/74/76/605057476.db2.gz UPWNWOYIIKWADY-ZDUSSCGKSA-N -1 3 347.386 3.859 20 0 EHADHM CN(Cc1ccc(Br)cc1)Cc1ccccc1CC(=O)[O-] ZINC000167706485 605062068 /nfs/dbraw/zinc/06/20/68/605062068.db2.gz LGVKCIAURFOVJM-UHFFFAOYSA-N -1 3 348.240 3.708 20 0 EHADHM C[C@@]1(NCc2nc(-c3cccc(Cl)c3)no2)CCCC[C@H]1C(=O)[O-] ZINC000833570316 605063405 /nfs/dbraw/zinc/06/34/05/605063405.db2.gz QUVKBLPCLSOTHG-SUMWQHHRSA-N -1 3 349.818 3.513 20 0 EHADHM C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000574644319 605072818 /nfs/dbraw/zinc/07/28/18/605072818.db2.gz FHJLUHHOOGLZJO-APPDUMDISA-N -1 3 334.803 3.853 20 0 EHADHM C[C@@H](C[C@H](O)c1cccs1)Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824390991 607733296 /nfs/dbraw/zinc/73/32/96/607733296.db2.gz FYKYRLYCWBNTFM-ZANVPECISA-N -1 3 349.847 3.506 20 0 EHADHM C[C@@H](C[C@H](O)c1cccs1)Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824390991 607733298 /nfs/dbraw/zinc/73/32/98/607733298.db2.gz FYKYRLYCWBNTFM-ZANVPECISA-N -1 3 349.847 3.506 20 0 EHADHM CC1=C(C(=O)[O-])C[C@@H](CN[C@H](CC(F)(F)F)c2ccc(F)cc2)O1 ZINC000833580941 605385225 /nfs/dbraw/zinc/38/52/25/605385225.db2.gz SYAVHVQIJMQKII-GXTWGEPZSA-N -1 3 347.308 3.556 20 0 EHADHM C[C@H](C[C@H]1CCCN1C(=O)[O-])N[C@@H](c1ccccc1)c1ccccn1 ZINC000824767947 605481995 /nfs/dbraw/zinc/48/19/95/605481995.db2.gz LIQZZYHVYIWYNS-SUMDDJOVSA-N -1 3 339.439 3.682 20 0 EHADHM O=C([O-])N[C@@H]1C[C@@H](NCc2ccc(OC(F)F)cc2)c2ccccc21 ZINC000834157833 605788947 /nfs/dbraw/zinc/78/89/47/605788947.db2.gz KZOKIGYNXAYOOS-HZPDHXFCSA-N -1 3 348.349 3.831 20 0 EHADHM O=C([O-])N[C@H]1C[C@H](NCc2ccc(OC(F)F)cc2)c2ccccc21 ZINC000834157831 605789142 /nfs/dbraw/zinc/78/91/42/605789142.db2.gz KZOKIGYNXAYOOS-HOTGVXAUSA-N -1 3 348.349 3.831 20 0 EHADHM CS[C@H]1CCC[C@@H](Nc2nc3ccccc3cc2-c2nnn[n-]2)C1 ZINC000821956502 606088581 /nfs/dbraw/zinc/08/85/81/606088581.db2.gz QBSRBIXXRKPMMW-OLZOCXBDSA-N -1 3 340.456 3.501 20 0 EHADHM CS[C@H]1CCC[C@@H](Nc2nc3ccccc3cc2-c2nn[n-]n2)C1 ZINC000821956502 606088584 /nfs/dbraw/zinc/08/85/84/606088584.db2.gz QBSRBIXXRKPMMW-OLZOCXBDSA-N -1 3 340.456 3.501 20 0 EHADHM C[C@@H](SCc1ccnc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820549512 606178961 /nfs/dbraw/zinc/17/89/61/606178961.db2.gz OCFCMOADKQCWSN-SNVBAGLBSA-N -1 3 331.832 3.910 20 0 EHADHM C[C@@H](SCc1ccnc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820549512 606178963 /nfs/dbraw/zinc/17/89/63/606178963.db2.gz OCFCMOADKQCWSN-SNVBAGLBSA-N -1 3 331.832 3.910 20 0 EHADHM CCCc1cc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)sc1C ZINC000821139339 606264378 /nfs/dbraw/zinc/26/43/78/606264378.db2.gz UMQKNPXXEIJCLJ-UHFFFAOYSA-N -1 3 345.403 3.581 20 0 EHADHM CCCc1cc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)sc1C ZINC000821139339 606264379 /nfs/dbraw/zinc/26/43/79/606264379.db2.gz UMQKNPXXEIJCLJ-UHFFFAOYSA-N -1 3 345.403 3.581 20 0 EHADHM C[C@@H](SCc1cccnc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820550132 606362658 /nfs/dbraw/zinc/36/26/58/606362658.db2.gz USHCUNHPGJQBGJ-SNVBAGLBSA-N -1 3 331.832 3.910 20 0 EHADHM C[C@@H](SCc1cccnc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820550132 606362659 /nfs/dbraw/zinc/36/26/59/606362659.db2.gz USHCUNHPGJQBGJ-SNVBAGLBSA-N -1 3 331.832 3.910 20 0 EHADHM CCCC[C@H](CCC)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821044444 606383811 /nfs/dbraw/zinc/38/38/11/606383811.db2.gz ZXBPFPXYXGKOMN-BBRMVZONSA-N -1 3 344.463 3.586 20 0 EHADHM CCCC[C@H](CCC)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821044444 606383812 /nfs/dbraw/zinc/38/38/12/606383812.db2.gz ZXBPFPXYXGKOMN-BBRMVZONSA-N -1 3 344.463 3.586 20 0 EHADHM COc1ccc2nc(C=Cc3ccc(-c4nnn[n-]4)s3)sc2c1 ZINC000821854693 606388404 /nfs/dbraw/zinc/38/84/04/606388404.db2.gz RUVDXVNPHZHORZ-DAXSKMNVSA-N -1 3 341.421 3.717 20 0 EHADHM C[C@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(OC(F)F)cc1 ZINC000820455228 606447712 /nfs/dbraw/zinc/44/77/12/606447712.db2.gz FRNIRZJUGPHSSV-VIFPVBQESA-N -1 3 349.316 3.780 20 0 EHADHM C[C@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(OC(F)F)cc1 ZINC000820455228 606447713 /nfs/dbraw/zinc/44/77/13/606447713.db2.gz FRNIRZJUGPHSSV-VIFPVBQESA-N -1 3 349.316 3.780 20 0 EHADHM Clc1cc(N2CCC[C@@H]2c2ccsc2)ccc1-c1nnn[n-]1 ZINC000822567721 606455714 /nfs/dbraw/zinc/45/57/14/606455714.db2.gz FVYVGJRUZJREAO-CQSZACIVSA-N -1 3 331.832 3.923 20 0 EHADHM Clc1cc(N2CCC[C@@H]2c2ccsc2)ccc1-c1nn[n-]n1 ZINC000822567721 606455716 /nfs/dbraw/zinc/45/57/16/606455716.db2.gz FVYVGJRUZJREAO-CQSZACIVSA-N -1 3 331.832 3.923 20 0 EHADHM O=C(Nc1sccc1-c1nnn[n-]1)c1cc2cccc(Cl)c2o1 ZINC000823387810 606601766 /nfs/dbraw/zinc/60/17/66/606601766.db2.gz YVAZJKYWAZNWLG-UHFFFAOYSA-N -1 3 345.771 3.580 20 0 EHADHM O=C(Nc1sccc1-c1nn[n-]n1)c1cc2cccc(Cl)c2o1 ZINC000823387810 606601767 /nfs/dbraw/zinc/60/17/67/606601767.db2.gz YVAZJKYWAZNWLG-UHFFFAOYSA-N -1 3 345.771 3.580 20 0 EHADHM Cc1cc(NCc2cccc(-c3nnn[n-]3)c2)ccc1Br ZINC000822209412 606645722 /nfs/dbraw/zinc/64/57/22/606645722.db2.gz HTFOSJOZMVIXDP-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM Cc1cc(NCc2cccc(-c3nn[n-]n3)c2)ccc1Br ZINC000822209412 606645723 /nfs/dbraw/zinc/64/57/23/606645723.db2.gz HTFOSJOZMVIXDP-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM CC[C@H](C)c1ccc(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820882099 606673308 /nfs/dbraw/zinc/67/33/08/606673308.db2.gz JMHUKLILPFZDFJ-ZDUSSCGKSA-N -1 3 335.411 3.657 20 0 EHADHM CC[C@H](C)c1ccc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820882099 606673309 /nfs/dbraw/zinc/67/33/09/606673309.db2.gz JMHUKLILPFZDFJ-ZDUSSCGKSA-N -1 3 335.411 3.657 20 0 EHADHM CC(C)Sc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820183941 606744900 /nfs/dbraw/zinc/74/49/00/606744900.db2.gz OBHDZRMOURQFPS-UHFFFAOYSA-N -1 3 339.424 3.620 20 0 EHADHM CC(C)Sc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820183941 606744901 /nfs/dbraw/zinc/74/49/01/606744901.db2.gz OBHDZRMOURQFPS-UHFFFAOYSA-N -1 3 339.424 3.620 20 0 EHADHM CC(C)(C)[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccc(F)cc1F ZINC000819899335 606951407 /nfs/dbraw/zinc/95/14/07/606951407.db2.gz RZEGYJZJWSKFFF-OAHLLOKOSA-N -1 3 347.369 3.615 20 0 EHADHM CC(C)(C)[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccc(F)cc1F ZINC000819899335 606951410 /nfs/dbraw/zinc/95/14/10/606951410.db2.gz RZEGYJZJWSKFFF-OAHLLOKOSA-N -1 3 347.369 3.615 20 0 EHADHM C[C@@H]1CCC[C@H](CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000820696894 606962410 /nfs/dbraw/zinc/96/24/10/606962410.db2.gz CVASKIAWZKFHAW-NEPJUHHUSA-N -1 3 347.850 3.699 20 0 EHADHM C[C@@H]1CCC[C@H](CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000820696894 606962411 /nfs/dbraw/zinc/96/24/11/606962411.db2.gz CVASKIAWZKFHAW-NEPJUHHUSA-N -1 3 347.850 3.699 20 0 EHADHM Fc1ccc(CSC2=Nc3ccccc3C2)cc1-c1nnn[n-]1 ZINC000822771719 607010371 /nfs/dbraw/zinc/01/03/71/607010371.db2.gz KLSMALHLZNNALZ-UHFFFAOYSA-N -1 3 325.372 3.525 20 0 EHADHM Fc1ccc(CSC2=Nc3ccccc3C2)cc1-c1nn[n-]n1 ZINC000822771719 607010372 /nfs/dbraw/zinc/01/03/72/607010372.db2.gz KLSMALHLZNNALZ-UHFFFAOYSA-N -1 3 325.372 3.525 20 0 EHADHM Fc1cc(-c2nnn[n-]2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000822748355 607135684 /nfs/dbraw/zinc/13/56/84/607135684.db2.gz VRIJYOJOULAIPV-UHFFFAOYSA-N -1 3 338.264 3.604 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000822748355 607135685 /nfs/dbraw/zinc/13/56/85/607135685.db2.gz VRIJYOJOULAIPV-UHFFFAOYSA-N -1 3 338.264 3.604 20 0 EHADHM Nc1ccc(SCc2ccc(-c3nnn[n-]3)cc2F)c(Cl)c1 ZINC000826396001 607813422 /nfs/dbraw/zinc/81/34/22/607813422.db2.gz BQBORHDPOVDBCH-UHFFFAOYSA-N -1 3 335.795 3.534 20 0 EHADHM Nc1ccc(SCc2ccc(-c3nn[n-]n3)cc2F)c(Cl)c1 ZINC000826396001 607813423 /nfs/dbraw/zinc/81/34/23/607813423.db2.gz BQBORHDPOVDBCH-UHFFFAOYSA-N -1 3 335.795 3.534 20 0 EHADHM CCC[C@H](C(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000825224928 608152768 /nfs/dbraw/zinc/15/27/68/608152768.db2.gz HBTGSYYUEQEMMU-YOEHRIQHSA-N -1 3 343.475 3.849 20 0 EHADHM CCC[C@H](C(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000825224928 608152770 /nfs/dbraw/zinc/15/27/70/608152770.db2.gz HBTGSYYUEQEMMU-YOEHRIQHSA-N -1 3 343.475 3.849 20 0 EHADHM Cc1ccccc1C1(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826306628 608186130 /nfs/dbraw/zinc/18/61/30/608186130.db2.gz GKEZLLIVAKOKCA-AWEZNQCLSA-N -1 3 348.406 3.511 20 0 EHADHM Cc1ccccc1C1(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826306628 608186133 /nfs/dbraw/zinc/18/61/33/608186133.db2.gz GKEZLLIVAKOKCA-AWEZNQCLSA-N -1 3 348.406 3.511 20 0 EHADHM C[C@@H](Cc1cccs1)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000824457111 608221517 /nfs/dbraw/zinc/22/15/17/608221517.db2.gz FFFWOQOZEUHINM-NSHDSACASA-N -1 3 336.424 3.520 20 0 EHADHM C[C@@H](Cc1cccs1)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000824457111 608221518 /nfs/dbraw/zinc/22/15/18/608221518.db2.gz FFFWOQOZEUHINM-NSHDSACASA-N -1 3 336.424 3.520 20 0 EHADHM CCC(CC)[C@@H](C)C(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825097661 608346609 /nfs/dbraw/zinc/34/66/09/608346609.db2.gz XXXYNDKHOSTLHG-LLVKDONJSA-N -1 3 349.866 3.945 20 0 EHADHM CCC(CC)[C@@H](C)C(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825097661 608346611 /nfs/dbraw/zinc/34/66/11/608346611.db2.gz XXXYNDKHOSTLHG-LLVKDONJSA-N -1 3 349.866 3.945 20 0 EHADHM CCN(C(=O)[C@@H]1CCC[C@H](C)C1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825368040 608346810 /nfs/dbraw/zinc/34/68/10/608346810.db2.gz ZOYBCJSCVQQPHY-NWDGAFQWSA-N -1 3 347.850 3.699 20 0 EHADHM CCN(C(=O)[C@@H]1CCC[C@H](C)C1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825368040 608346811 /nfs/dbraw/zinc/34/68/11/608346811.db2.gz ZOYBCJSCVQQPHY-NWDGAFQWSA-N -1 3 347.850 3.699 20 0 EHADHM Cc1ccc2oc(SCc3cccc(-c4nnn[n-]4)c3F)nc2c1 ZINC000826295625 608397614 /nfs/dbraw/zinc/39/76/14/608397614.db2.gz QAYXDPSYGUAOHQ-UHFFFAOYSA-N -1 3 341.371 3.748 20 0 EHADHM Cc1ccc2oc(SCc3cccc(-c4nn[n-]n4)c3F)nc2c1 ZINC000826295625 608397615 /nfs/dbraw/zinc/39/76/15/608397615.db2.gz QAYXDPSYGUAOHQ-UHFFFAOYSA-N -1 3 341.371 3.748 20 0 EHADHM C[C@@H](c1ccccc1Cl)N(C)Cc1cccc(-c2nnn[n-]2)c1F ZINC000824770838 608643792 /nfs/dbraw/zinc/64/37/92/608643792.db2.gz NBWPFVWDKYVBEA-NSHDSACASA-N -1 3 345.809 3.852 20 0 EHADHM C[C@@H](c1ccccc1Cl)N(C)Cc1cccc(-c2nn[n-]n2)c1F ZINC000824770838 608643795 /nfs/dbraw/zinc/64/37/95/608643795.db2.gz NBWPFVWDKYVBEA-NSHDSACASA-N -1 3 345.809 3.852 20 0 EHADHM Cc1cc(N(C)C)ccc1N[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826268990 609160420 /nfs/dbraw/zinc/16/04/20/609160420.db2.gz WUJQFMCGNLFIBG-GFCCVEGCSA-N -1 3 340.406 3.553 20 0 EHADHM Cc1cc(N(C)C)ccc1N[C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826268990 609160422 /nfs/dbraw/zinc/16/04/22/609160422.db2.gz WUJQFMCGNLFIBG-GFCCVEGCSA-N -1 3 340.406 3.553 20 0 EHADHM C[C@@H](Nc1cccc(OC(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662234 609164472 /nfs/dbraw/zinc/16/44/72/609164472.db2.gz GDZQEZFUYIXMTR-SNVBAGLBSA-N -1 3 331.326 3.641 20 0 EHADHM C[C@@H](Nc1cccc(OC(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662234 609164474 /nfs/dbraw/zinc/16/44/74/609164474.db2.gz GDZQEZFUYIXMTR-SNVBAGLBSA-N -1 3 331.326 3.641 20 0 EHADHM CCOc1ccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000825643246 609180384 /nfs/dbraw/zinc/18/03/84/609180384.db2.gz JHOOUZKFAVMACJ-LLVKDONJSA-N -1 3 327.363 3.578 20 0 EHADHM CCOc1ccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000825643246 609180386 /nfs/dbraw/zinc/18/03/86/609180386.db2.gz JHOOUZKFAVMACJ-LLVKDONJSA-N -1 3 327.363 3.578 20 0 EHADHM C[C@@H](Nc1cc(F)cc(Cl)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824650319 609273347 /nfs/dbraw/zinc/27/33/47/609273347.db2.gz QRTDRHKPFIGGPO-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@@H](Nc1cc(F)cc(Cl)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824650319 609273348 /nfs/dbraw/zinc/27/33/48/609273348.db2.gz QRTDRHKPFIGGPO-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@H](Nc1ccc(-c2csnn2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824650284 609274589 /nfs/dbraw/zinc/27/45/89/609274589.db2.gz QLPFJSWGFOORQI-NSHDSACASA-N -1 3 349.423 3.558 20 0 EHADHM C[C@H](Nc1ccc(-c2csnn2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824650284 609274590 /nfs/dbraw/zinc/27/45/90/609274590.db2.gz QLPFJSWGFOORQI-NSHDSACASA-N -1 3 349.423 3.558 20 0 EHADHM CCCOc1cc(C)ccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000825338932 609475562 /nfs/dbraw/zinc/47/55/62/609475562.db2.gz KREHXRVHICCGMB-UHFFFAOYSA-N -1 3 341.390 3.715 20 0 EHADHM CCCOc1cc(C)ccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000825338932 609475564 /nfs/dbraw/zinc/47/55/64/609475564.db2.gz KREHXRVHICCGMB-UHFFFAOYSA-N -1 3 341.390 3.715 20 0 EHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1cc(F)cc(F)c1 ZINC000824323951 609478212 /nfs/dbraw/zinc/47/82/12/609478212.db2.gz DSLKAXZERYTGNK-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1cc(F)cc(F)c1 ZINC000824323951 609478214 /nfs/dbraw/zinc/47/82/14/609478214.db2.gz DSLKAXZERYTGNK-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1csc(-c2ccccc2)n1 ZINC000826278560 609479648 /nfs/dbraw/zinc/47/96/48/609479648.db2.gz IYKCMHYENZZJAV-UHFFFAOYSA-N -1 3 348.435 3.911 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1csc(-c2ccccc2)n1 ZINC000826278560 609479650 /nfs/dbraw/zinc/47/96/50/609479650.db2.gz IYKCMHYENZZJAV-UHFFFAOYSA-N -1 3 348.435 3.911 20 0 EHADHM Cc1sc(NC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)c(-c2nnn[n-]2)c1C ZINC000826349565 609509339 /nfs/dbraw/zinc/50/93/39/609509339.db2.gz MNOZVWHZIIEYTN-GDGBQDQQSA-N -1 3 333.461 3.556 20 0 EHADHM Cc1sc(NC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000826349565 609509341 /nfs/dbraw/zinc/50/93/41/609509341.db2.gz MNOZVWHZIIEYTN-GDGBQDQQSA-N -1 3 333.461 3.556 20 0 EHADHM CC[C@@H](Nc1nccc(C)c1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000825147668 609562940 /nfs/dbraw/zinc/56/29/40/609562940.db2.gz LGRNPWDNGTTYIQ-CYBMUJFWSA-N -1 3 328.807 3.787 20 0 EHADHM CC[C@@H](Nc1nccc(C)c1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000825147668 609562941 /nfs/dbraw/zinc/56/29/41/609562941.db2.gz LGRNPWDNGTTYIQ-CYBMUJFWSA-N -1 3 328.807 3.787 20 0 EHADHM COc1ccc2c(c1)[C@@H](NCc1ccc(C(=O)[O-])cc1)CCS2 ZINC001611057911 970871919 /nfs/dbraw/zinc/87/19/19/970871919.db2.gz VYCDUCSRJRWBSX-INIZCTEOSA-N -1 3 329.421 3.720 20 0 EHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cc(-c3ccccc3)on2)C1 ZINC000325441184 971215795 /nfs/dbraw/zinc/21/57/95/971215795.db2.gz LQHJAQVTOINCCY-HNNXBMFYSA-N -1 3 328.412 3.664 20 0 EHADHM C[C@@H](N[C@@H](CC(C)(C)C)C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000824533132 946772590 /nfs/dbraw/zinc/77/25/90/946772590.db2.gz ZDYMAASXQYRZEU-MFKMUULPSA-N -1 3 341.381 3.884 20 0 EHADHM C[C@@H](N[C@@H](CC(C)(C)C)C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824533132 946772596 /nfs/dbraw/zinc/77/25/96/946772596.db2.gz ZDYMAASXQYRZEU-MFKMUULPSA-N -1 3 341.381 3.884 20 0 EHADHM CCC[C@]1(C)CCCN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000825247672 947131496 /nfs/dbraw/zinc/13/14/96/947131496.db2.gz FYOLBZKTVJFENT-QGZVFWFLSA-N -1 3 347.850 3.563 20 0 EHADHM CCC[C@]1(C)CCCN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000825247672 947131501 /nfs/dbraw/zinc/13/15/01/947131501.db2.gz FYOLBZKTVJFENT-QGZVFWFLSA-N -1 3 347.850 3.563 20 0 EHADHM Cc1cccc(CN[C@@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)c1 ZINC000826298271 947862109 /nfs/dbraw/zinc/86/21/09/947862109.db2.gz LIPFBSBSLFKHTQ-HNNXBMFYSA-N -1 3 347.344 3.568 20 0 EHADHM Cc1cccc(CN[C@@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)c1 ZINC000826298271 947862116 /nfs/dbraw/zinc/86/21/16/947862116.db2.gz LIPFBSBSLFKHTQ-HNNXBMFYSA-N -1 3 347.344 3.568 20 0 EHADHM Clc1cccc(SC[C@@H]2CC2(Cl)Cl)c1-c1nnn[n-]1 ZINC000826353455 948105090 /nfs/dbraw/zinc/10/50/90/948105090.db2.gz PYLZVBNMRNOBQO-LURJTMIESA-N -1 3 335.647 3.806 20 0 EHADHM Clc1cccc(SC[C@@H]2CC2(Cl)Cl)c1-c1nn[n-]n1 ZINC000826353455 948105096 /nfs/dbraw/zinc/10/50/96/948105096.db2.gz PYLZVBNMRNOBQO-LURJTMIESA-N -1 3 335.647 3.806 20 0 EHADHM c1cc(CCCSCCOc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826517398 948444185 /nfs/dbraw/zinc/44/41/85/948444185.db2.gz 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Cc1cccc(C2=CCN(CCOc3ccccc3C(=O)[O-])CC2)c1 ZINC000578995546 974866577 /nfs/dbraw/zinc/86/65/77/974866577.db2.gz NMFBCUDNHWXYQJ-UHFFFAOYSA-N -1 3 337.419 3.861 20 0 EHADHM Cc1cc([C@@H](C)N2CC[C@]3(C2)CCc2ccccc2O3)oc1C(=O)[O-] ZINC000581955375 974918642 /nfs/dbraw/zinc/91/86/42/974918642.db2.gz FJDGMSCENFXFEB-VLIAUNLRSA-N -1 3 341.407 3.817 20 0 EHADHM CCSc1ccc(CN(CC(=O)[O-])C(C)C)c(Br)c1 ZINC000629360202 975082347 /nfs/dbraw/zinc/08/23/47/975082347.db2.gz MNQNKHOELBWKEH-UHFFFAOYSA-N -1 3 346.290 3.856 20 0 EHADHM C[C@@H](c1ccc(F)cc1)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000629367383 975085506 /nfs/dbraw/zinc/08/55/06/975085506.db2.gz KCZHSWOTGHEXQN-NSHDSACASA-N -1 3 334.416 3.921 20 0 EHADHM COc1cc(CN[C@@H](C(=O)[O-])c2cccs2)cc(C(F)(F)F)c1 ZINC000630453436 975265024 /nfs/dbraw/zinc/26/50/24/975265024.db2.gz ONRLYTCVJKRNAN-CYBMUJFWSA-N -1 3 345.342 3.691 20 0 EHADHM CC(C)O[C@H]1C[C@@H](NCc2cccc(C(=O)[O-])c2Cl)C1(C)C ZINC001591696039 975528904 /nfs/dbraw/zinc/52/89/04/975528904.db2.gz NGLMYZHQJSXJKZ-KGLIPLIRSA-N -1 3 325.836 3.720 20 0 EHADHM Cc1ccc(-c2cnc(CN3CCC[C@@H](C(C)(C)C(=O)[O-])C3)o2)cc1 ZINC000652498808 975562860 /nfs/dbraw/zinc/56/28/60/975562860.db2.gz UINMHTPDRSBABQ-MRXNPFEDSA-N -1 3 342.439 3.973 20 0 EHADHM O=C([O-])[C@@H](NCc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000756346354 978698618 /nfs/dbraw/zinc/69/86/18/978698618.db2.gz CGRZXIGYIIVYIE-AWEZNQCLSA-N -1 3 327.277 3.760 20 0 EHADHM C[C@H](CNCc1ccc(C(=O)[O-])cc1F)Oc1ccccc1Cl ZINC001592710792 979198114 /nfs/dbraw/zinc/19/81/14/979198114.db2.gz VVZJVLBRYBCYJS-LLVKDONJSA-N -1 3 337.778 3.734 20 0 EHADHM Cn1c(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)nc2ccc(Cl)cc21 ZINC000859812826 979642484 /nfs/dbraw/zinc/64/24/84/979642484.db2.gz BZGKPYFLAQLSIN-GFCCVEGCSA-N -1 3 349.862 3.550 20 0 EHADHM CC1(C)CCc2onc(CN3CC[C@H](C(=O)[O-])[C@@H]4CCCC[C@@H]43)c2C1 ZINC000872161965 980050899 /nfs/dbraw/zinc/05/08/99/980050899.db2.gz IXHWEKFDONDHLQ-ZQIUZPCESA-N -1 3 346.471 3.655 20 0 EHADHM COc1ccc([C@@H](NCc2ccc(C)c(OC)c2)C(=O)[O-])cc1Cl ZINC000901852175 980577972 /nfs/dbraw/zinc/57/79/72/980577972.db2.gz LRCKOGVTPHLECC-QGZVFWFLSA-N -1 3 349.814 3.581 20 0 EHADHM CC[C@](NCc1cncn1C(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000901871364 980583192 /nfs/dbraw/zinc/58/31/92/980583192.db2.gz BVXFTDYXCAWETN-QGZVFWFLSA-N -1 3 335.835 3.597 20 0 EHADHM O=C([O-])c1cnc(C2CCN(Cc3ccc4occc4c3)CC2)s1 ZINC000901933179 980637143 /nfs/dbraw/zinc/63/71/43/980637143.db2.gz ZJBOZVZVCFMPJR-UHFFFAOYSA-N -1 3 342.420 3.967 20 0 EHADHM O=C([O-])c1csc(CN[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)c1 ZINC000902196994 980778688 /nfs/dbraw/zinc/77/86/88/980778688.db2.gz PLRUOGJMLPKADD-CVEARBPZSA-N -1 3 335.400 3.595 20 0 EHADHM CC(C)(C)c1nnc(CN[C@H]2CCC[C@H](CCCC(=O)[O-])C2)s1 ZINC000902401152 980871221 /nfs/dbraw/zinc/87/12/21/980871221.db2.gz GYUUKQMYEVKAES-OLZOCXBDSA-N -1 3 339.505 3.739 20 0 EHADHM O=C([O-])c1cc(CN2CCC3(C=Cc4ccccc4O3)CC2)cs1 ZINC000902453135 980894520 /nfs/dbraw/zinc/89/45/20/980894520.db2.gz PPDYMZQPSAXNCH-UHFFFAOYSA-N -1 3 341.432 3.887 20 0 EHADHM CCc1oc(CN[C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)cc1C(=O)[O-] ZINC000902461966 980899203 /nfs/dbraw/zinc/89/92/03/980899203.db2.gz YOVHFEHRZKJTTN-HZPDHXFCSA-N -1 3 335.444 3.756 20 0 EHADHM O=C([O-])c1cccc(CN2CCC[C@H]2Cc2ccccc2Cl)n1 ZINC000902514381 980916339 /nfs/dbraw/zinc/91/63/39/980916339.db2.gz CARBNNVJVTVRDL-HNNXBMFYSA-N -1 3 330.815 3.640 20 0 EHADHM Cc1cccc(CN2CCC(CCC(=O)[O-])CC2)c1Br ZINC000903702673 981016340 /nfs/dbraw/zinc/01/63/40/981016340.db2.gz FGFVQDKZQDZXPO-UHFFFAOYSA-N -1 3 340.261 3.834 20 0 EHADHM COc1ccccc1[C@@H]1CCCN(Cc2cncc(C(=O)[O-])c2)CC1 ZINC000903912601 981035117 /nfs/dbraw/zinc/03/51/17/981035117.db2.gz FGVHOEBHYQAISA-MRXNPFEDSA-N -1 3 340.423 3.558 20 0 EHADHM Cc1cc(F)ccc1[C@@H](C)NCc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000905727046 981125478 /nfs/dbraw/zinc/12/54/78/981125478.db2.gz LPQQKKLDWDIYFG-KGLIPLIRSA-N -1 3 331.387 3.837 20 0 EHADHM CC[C@H](C)Oc1cc(CN[C@@H](C(=O)[O-])c2ccsc2)ccc1OC ZINC000683173659 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1125757238 /nfs/dbraw/zinc/75/72/38/1125757238.db2.gz VIHMQMYVUVVVJL-UHFFFAOYSA-N -1 3 336.395 3.861 20 0 EHADHM O=C([O-])[C@@H](Cc1c(F)cccc1Cl)NCc1ccc(F)cc1F ZINC000564396827 1126097664 /nfs/dbraw/zinc/09/76/64/1126097664.db2.gz DKUXAUWELXPQAS-OAHLLOKOSA-N -1 3 343.732 3.543 20 0 EHADHM O=C([O-])[C@H](Cc1cc2ccccc2o1)NCc1ccc(F)c(F)c1F ZINC001608541405 1126236971 /nfs/dbraw/zinc/23/69/71/1126236971.db2.gz VCBGYVGTYSGRDB-AWEZNQCLSA-N -1 3 349.308 3.636 20 0 EHADHM CC(C)(C)Oc1ccccc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000734414125 1131235517 /nfs/dbraw/zinc/23/55/17/1131235517.db2.gz AWAVCFOIUHRJNL-NTCAYCPXSA-N -1 3 336.391 3.587 20 0 EHADHM C[C@@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)c1ccc(Cl)cn1 ZINC000622540981 1126717422 /nfs/dbraw/zinc/71/74/22/1126717422.db2.gz XJANQMRWGVKTAZ-MRVPVSSYSA-N -1 3 344.720 3.950 20 0 EHADHM O=S(=O)(C[C@H]1CCCCO1)[N-]c1cccc(-c2cccs2)c1 ZINC000172591304 1126800203 /nfs/dbraw/zinc/80/02/03/1126800203.db2.gz FQWGWFXYJLQYKL-OAHLLOKOSA-N -1 3 337.466 3.726 20 0 EHADHM CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ncccc2[O-])c1 ZINC000175024307 1126865246 /nfs/dbraw/zinc/86/52/46/1126865246.db2.gz NRZSVKONVUUWNE-UHFFFAOYSA-N -1 3 347.802 3.678 20 0 EHADHM CCN(CCC(F)(F)F)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000623121753 1126880274 /nfs/dbraw/zinc/88/02/74/1126880274.db2.gz IQHBIBPHQRZPST-UHFFFAOYSA-N -1 3 339.317 3.856 20 0 EHADHM CCc1ccc([O-])c(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)c1 ZINC000623478881 1126968311 /nfs/dbraw/zinc/96/83/11/1126968311.db2.gz JJGIXFYNHKAFAX-UHFFFAOYSA-N -1 3 349.434 3.851 20 0 EHADHM C[C@@H](NC(=O)NN=c1cccn[n-]1)c1ccc(Cl)c2ccccc21 ZINC000185672845 1126976533 /nfs/dbraw/zinc/97/65/33/1126976533.db2.gz HZZMNULMKHEBSU-LLVKDONJSA-N -1 3 341.802 3.671 20 0 EHADHM CC(C)(C)OC(=O)c1cccc(C(=O)Nc2cccc([O-])c2F)c1 ZINC000180019052 1127110503 /nfs/dbraw/zinc/11/05/03/1127110503.db2.gz FVUAXZBBHIKVGE-UHFFFAOYSA-N -1 3 331.343 3.739 20 0 EHADHM CCOc1cc(C(=O)[N-]c2ccc(OCCC(C)C)cc2F)on1 ZINC000654320706 1127134771 /nfs/dbraw/zinc/13/47/71/1127134771.db2.gz IPHVCWPVPYSJLY-UHFFFAOYSA-N -1 3 336.363 3.890 20 0 EHADHM CCc1cc(=O)[n-]c(CN[C@@H](c2ccc(F)cc2F)C(C)(C)C)n1 ZINC000181617608 1127285713 /nfs/dbraw/zinc/28/57/13/1127285713.db2.gz HZXXYHCBGREUMH-KRWDZBQOSA-N -1 3 335.398 3.900 20 0 EHADHM O=C(NC[C@@H](O)c1ccc2ccccc2c1)c1cc([O-])ccc1Cl ZINC000764632322 1127516358 /nfs/dbraw/zinc/51/63/58/1127516358.db2.gz VFNOHTPVKRCTMO-GOSISDBHSA-N -1 3 341.794 3.662 20 0 EHADHM Cc1ccc(S(=O)(=O)[N-]C23CCC(C(F)(F)F)(CC2)CC3)o1 ZINC000671669294 1127801308 /nfs/dbraw/zinc/80/13/08/1127801308.db2.gz HKMRJFSOVGAJIO-UHFFFAOYSA-N -1 3 337.363 3.522 20 0 EHADHM COc1ccsc1C(=O)[N-]c1nnc(Cc2ccc(C)cc2)s1 ZINC000108248591 1128120816 /nfs/dbraw/zinc/12/08/16/1128120816.db2.gz YUCRWDMRZVUZLO-UHFFFAOYSA-N -1 3 345.449 3.760 20 0 EHADHM Cc1nc(-c2cccc(C[N-]C(=O)C(F)(F)C(F)F)c2)cs1 ZINC001168587298 1128138588 /nfs/dbraw/zinc/13/85/88/1128138588.db2.gz IYMATHLYEFQYTM-UHFFFAOYSA-N -1 3 332.322 3.635 20 0 EHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(C)cc3C)nc2)n1 ZINC000068668178 1128271439 /nfs/dbraw/zinc/27/14/39/1128271439.db2.gz ZSEAMPXMZMKBDC-UHFFFAOYSA-N -1 3 334.423 3.623 20 0 EHADHM COc1ccc(-c2nc(COc3ccc4c([O-])coc4c3)co2)cc1 ZINC000642609011 1128399538 /nfs/dbraw/zinc/39/95/38/1128399538.db2.gz YIZUCMNNFULJEG-UHFFFAOYSA-N -1 3 337.331 3.504 20 0 EHADHM COc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C)cc3c2)c(C)c1 ZINC000055585329 1128524265 /nfs/dbraw/zinc/52/42/65/1128524265.db2.gz XWJMODVIHFGLSX-UHFFFAOYSA-N -1 3 330.409 3.594 20 0 EHADHM Cc1cccc([O-])c1C(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000624734165 1128533965 /nfs/dbraw/zinc/53/39/65/1128533965.db2.gz QQNLSOADIBZREP-INIZCTEOSA-N -1 3 337.379 3.681 20 0 EHADHM O=C(N[C@@H]1CCOc2ccc(F)cc21)c1cc([O-])c2ccccc2c1 ZINC000354202110 1128715699 /nfs/dbraw/zinc/71/56/99/1128715699.db2.gz DZBDVOWBWQPSLI-QGZVFWFLSA-N -1 3 337.350 3.938 20 0 EHADHM Cc1ccccc1-c1cc(=NC(=O)C[C@H]2CCO[C@H](C(C)C)C2)[nH][n-]1 ZINC000542884619 1128796072 /nfs/dbraw/zinc/79/60/72/1128796072.db2.gz LZSWKTDLLJQUMN-YJBOKZPZSA-N -1 3 341.455 3.587 20 0 EHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCOC[C@@H]1c1ccccc1 ZINC000354900676 1128863491 /nfs/dbraw/zinc/86/34/91/1128863491.db2.gz NAXSQCJCBOLHDM-LJQANCHMSA-N -1 3 333.387 3.759 20 0 EHADHM O=C(N[C@H]1CC[C@H](c2cccc(Cl)c2)C1)c1c([O-])cccc1O ZINC001648849486 1120054003 /nfs/dbraw/zinc/05/40/03/1120054003.db2.gz OVERISWICGOHSF-JSGCOSHPSA-N -1 3 331.799 3.817 20 0 EHADHM O=S(=O)([N-]CC[C@@H]1CCCS1)c1cc(Cl)ccc1Cl ZINC001670674751 1120099913 /nfs/dbraw/zinc/09/99/13/1120099913.db2.gz MGNACGAZHLLQBD-JTQLQIEISA-N -1 3 340.297 3.557 20 0 EHADHM C[C@@H](CC(=O)Nc1cc(Br)ccc1[O-])c1ccncc1 ZINC000156603020 1128904909 /nfs/dbraw/zinc/90/49/09/1128904909.db2.gz PDRWTNHNHARTON-JTQLQIEISA-N -1 3 335.201 3.682 20 0 EHADHM Cc1cc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c(C)s1 ZINC000064342596 1128922852 /nfs/dbraw/zinc/92/28/52/1128922852.db2.gz PIFNNQQQXBBIIP-UHFFFAOYSA-N -1 3 339.420 3.676 20 0 EHADHM C[C@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000494355469 1120536476 /nfs/dbraw/zinc/53/64/76/1120536476.db2.gz DSIOQLNMBZXUQZ-MRVPVSSYSA-N -1 3 347.761 3.879 20 0 EHADHM COCC[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccco1 ZINC000355672075 1128926814 /nfs/dbraw/zinc/92/68/14/1128926814.db2.gz MZOOWLIOWANOSW-MRXNPFEDSA-N -1 3 325.364 3.646 20 0 EHADHM CCOC(=O)C(F)(F)[C@@H](CC)Oc1c([O-])cc(Cl)cc1F ZINC001234447220 1120770654 /nfs/dbraw/zinc/77/06/54/1120770654.db2.gz JQHFKYAOVUCFBH-SNVBAGLBSA-N -1 3 326.698 3.541 20 0 EHADHM Cc1c(C(=O)Nc2ccc(Cl)cc2[O-])cnn1-c1ccccc1F ZINC000153494774 1120857306 /nfs/dbraw/zinc/85/73/06/1120857306.db2.gz QALDCTGEMRGBAW-UHFFFAOYSA-N -1 3 345.761 3.931 20 0 EHADHM CC(C)(C)c1noc(CCCC(=O)Nc2ccc(Cl)cc2[O-])n1 ZINC000153529279 1120943980 /nfs/dbraw/zinc/94/39/80/1120943980.db2.gz AJBUGCNEGIUKGL-UHFFFAOYSA-N -1 3 337.807 3.688 20 0 EHADHM COc1ccc([O-])c(-c2nc(Cc3c[nH]c4cc(C)ccc34)no2)c1 ZINC000761898245 1121004816 /nfs/dbraw/zinc/00/48/16/1121004816.db2.gz DWFZLHOXXYOVLA-UHFFFAOYSA-N -1 3 335.363 3.831 20 0 EHADHM CCCCN(CCCC)C(=O)COC(=O)c1cc2ccsc2[n-]1 ZINC000914889620 1121038379 /nfs/dbraw/zinc/03/83/79/1121038379.db2.gz KUDHOCCCVKFEOK-UHFFFAOYSA-N -1 3 336.457 3.815 20 0 EHADHM CC(C)(CC(F)(F)F)NCc1cccc([O-])c1Br ZINC000656565632 1128983315 /nfs/dbraw/zinc/98/33/15/1128983315.db2.gz LYPZYCHDLBLHOT-UHFFFAOYSA-N -1 3 326.156 3.975 20 0 EHADHM Cc1cc(=O)[n-]c(CSCc2ncc(-c3ccccc3C)o2)n1 ZINC000763208228 1121881755 /nfs/dbraw/zinc/88/17/55/1121881755.db2.gz IPPNDOMJFOWTLM-UHFFFAOYSA-N -1 3 327.409 3.887 20 0 EHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000763265046 1121929465 /nfs/dbraw/zinc/92/94/65/1121929465.db2.gz CUUQIKGVKVWHCM-MRXNPFEDSA-N -1 3 347.346 3.593 20 0 EHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000763265046 1121929469 /nfs/dbraw/zinc/92/94/69/1121929469.db2.gz CUUQIKGVKVWHCM-MRXNPFEDSA-N -1 3 347.346 3.593 20 0 EHADHM CC[C@@H](C)CN(CC)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126231087 1122396460 /nfs/dbraw/zinc/39/64/60/1122396460.db2.gz DTVVSNCJQKLUQZ-LLVKDONJSA-N -1 3 343.265 3.732 20 0 EHADHM CCCC(=O)Nc1cccc(NC(=O)c2cc(OC)ccc2[O-])c1C ZINC000126821811 1122442140 /nfs/dbraw/zinc/44/21/40/1122442140.db2.gz QTXOBKAMQQDRLX-UHFFFAOYSA-N -1 3 342.395 3.700 20 0 EHADHM O=S(=O)([N-]c1cccc(O)c1F)c1ccccc1-c1ccccc1 ZINC000127891989 1122513511 /nfs/dbraw/zinc/51/35/11/1122513511.db2.gz BLKRMLGDBVHTNF-UHFFFAOYSA-N -1 3 343.379 3.999 20 0 EHADHM O=C(COc1ccc(Cl)cc1Cl)Nc1cccc([O-])c1F ZINC000128273220 1122548582 /nfs/dbraw/zinc/54/85/82/1122548582.db2.gz DOTHYPPHXXNAIN-UHFFFAOYSA-N -1 3 330.142 3.856 20 0 EHADHM Cc1ccc2nc(-c3cc(Cl)c4c(c3)OCCO4)[n-]c(=O)c2c1 ZINC000917268000 1122570139 /nfs/dbraw/zinc/57/01/39/1122570139.db2.gz OUQVWGGTNSYRGB-UHFFFAOYSA-N -1 3 328.755 3.735 20 0 EHADHM O=C(Nc1cccc([O-])c1F)c1cnc(Cc2ccc(F)cc2)s1 ZINC000128387370 1122582398 /nfs/dbraw/zinc/58/23/98/1122582398.db2.gz HICWXYQBBFRNLG-UHFFFAOYSA-N -1 3 346.358 3.970 20 0 EHADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)c1 ZINC000497960763 1122713607 /nfs/dbraw/zinc/71/36/07/1122713607.db2.gz RNHJXFDLPIGYJW-UHFFFAOYSA-N -1 3 331.437 3.893 20 0 EHADHM [O-]c1c(F)cc(F)cc1Nc1nc(Cl)cnc1Br ZINC001212477940 1129074419 /nfs/dbraw/zinc/07/44/19/1129074419.db2.gz RAGLQBRVOMRBCR-UHFFFAOYSA-N -1 3 336.523 3.620 20 0 EHADHM CC(C)Oc1ccc(COC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000918533270 1122837576 /nfs/dbraw/zinc/83/75/76/1122837576.db2.gz MSUVSSDVKVZFHD-UHFFFAOYSA-N -1 3 326.352 3.814 20 0 EHADHM CC(C)Oc1ccc(COC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000918533270 1122837581 /nfs/dbraw/zinc/83/75/81/1122837581.db2.gz MSUVSSDVKVZFHD-UHFFFAOYSA-N -1 3 326.352 3.814 20 0 EHADHM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)N=c1cc2ccccn2[n-]1 ZINC000556644971 1123071272 /nfs/dbraw/zinc/07/12/72/1123071272.db2.gz BSNZTWFCBYFTQL-RKVPGOIHSA-N -1 3 334.423 3.555 20 0 EHADHM O=C(NCc1ncccc1[O-])N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000556658504 1123072599 /nfs/dbraw/zinc/07/25/99/1123072599.db2.gz RJWKNTHOOJHMDB-HIFRSBDPSA-N -1 3 345.830 3.576 20 0 EHADHM COc1ccc(C(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)c([O-])c1 ZINC000152627713 1123084341 /nfs/dbraw/zinc/08/43/41/1123084341.db2.gz IPBRVEHDIXHBCA-KRWDZBQOSA-N -1 3 325.408 3.667 20 0 EHADHM COCCn1nc(-c2ccccc2)cc1Nc1cc(F)cc(F)c1[O-] ZINC001212484110 1129102965 /nfs/dbraw/zinc/10/29/65/1129102965.db2.gz KPNSDHBWHCNRFV-UHFFFAOYSA-N -1 3 345.349 3.924 20 0 EHADHM CC(=O)c1cccc(NC(=O)Cc2ccccc2Br)c1[O-] ZINC000556894354 1123171769 /nfs/dbraw/zinc/17/17/69/1123171769.db2.gz YTWGNMGYNPVIBM-UHFFFAOYSA-N -1 3 348.196 3.539 20 0 EHADHM CC(=O)c1cccc(NC(=O)C2(c3ccc(F)cc3F)CCC2)c1[O-] ZINC000556894107 1123172062 /nfs/dbraw/zinc/17/20/62/1123172062.db2.gz MXHHNLOTDGTSOL-UHFFFAOYSA-N -1 3 345.345 3.933 20 0 EHADHM COc1cc(C2(C(=O)Nc3cccc(C(C)=O)c3[O-])CC2)ccc1C ZINC000556892560 1123176840 /nfs/dbraw/zinc/17/68/40/1123176840.db2.gz MONOYSDVIJSONC-UHFFFAOYSA-N -1 3 339.391 3.582 20 0 EHADHM COc1ccc(C(=O)NCc2ccc([O-])c(F)c2)c2ccccc12 ZINC000133229506 1123365238 /nfs/dbraw/zinc/36/52/38/1123365238.db2.gz 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ZINC000192722385 1140546872 /nfs/dbraw/zinc/54/68/72/1140546872.db2.gz LKSFQGQHIUOZKZ-QWRGUYRKSA-N -1 3 325.334 3.921 20 0 EHADHM Cc1ccc(CC(C)(C)[N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000096743615 1140787640 /nfs/dbraw/zinc/78/76/40/1140787640.db2.gz ADBMBKFLQHJSBO-UHFFFAOYSA-N -1 3 339.407 3.573 20 0 EHADHM C[C@H]1CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C[C@@H]1C ZINC000267820981 1140838993 /nfs/dbraw/zinc/83/89/93/1140838993.db2.gz OUXXZDFEBJATRG-QWRGUYRKSA-N -1 3 329.425 3.745 20 0 EHADHM COc1cc(C(=O)N(Cc2ccc(F)cc2)C(C)C)cc(OC)c1[O-] ZINC000273914999 1141445555 /nfs/dbraw/zinc/44/55/55/1141445555.db2.gz DOCAHOSCLFFEES-UHFFFAOYSA-N -1 3 347.386 3.599 20 0 EHADHM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ncccc1[O-] ZINC000339169764 1141516864 /nfs/dbraw/zinc/51/68/64/1141516864.db2.gz PDNSRTWNJHTPOZ-QMMMGPOBSA-N -1 3 327.167 3.500 20 0 EHADHM COc1cc(CN[C@@H](C)c2ccc(C)o2)cc(Br)c1[O-] ZINC000034993629 522474136 /nfs/dbraw/zinc/47/41/36/522474136.db2.gz BKLZHDVTPOLZOS-JTQLQIEISA-N -1 3 340.217 3.916 20 0 EHADHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735922243 598911045 /nfs/dbraw/zinc/91/10/45/598911045.db2.gz DKJSNPAILSMSQZ-QZTJIDSGSA-N -1 3 348.406 3.699 20 0 EHADHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735922243 598911046 /nfs/dbraw/zinc/91/10/46/598911046.db2.gz DKJSNPAILSMSQZ-QZTJIDSGSA-N -1 3 348.406 3.699 20 0 EHADHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000735924871 598911207 /nfs/dbraw/zinc/91/12/07/598911207.db2.gz WEWHNRHZSRJVGF-DLBZAZTESA-N -1 3 347.422 3.732 20 0 EHADHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000735924871 598911208 /nfs/dbraw/zinc/91/12/08/598911208.db2.gz WEWHNRHZSRJVGF-DLBZAZTESA-N -1 3 347.422 3.732 20 0 EHADHM CC[C@H](CC1CCCC1)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000736349418 598923072 /nfs/dbraw/zinc/92/30/72/598923072.db2.gz GTZOYNGIKMWGKV-CQSZACIVSA-N -1 3 328.416 3.516 20 0 EHADHM CC[C@H](CC1CCCC1)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000736349418 598923073 /nfs/dbraw/zinc/92/30/73/598923073.db2.gz GTZOYNGIKMWGKV-CQSZACIVSA-N -1 3 328.416 3.516 20 0 EHADHM Cc1ccc(C(C)C)cc1OC(=O)c1sccc1-c1nnn[n-]1 ZINC000737318906 599026812 /nfs/dbraw/zinc/02/68/12/599026812.db2.gz ZFJYCOIYOZHTIU-UHFFFAOYSA-N -1 3 328.397 3.579 20 0 EHADHM Fc1cc(-c2nnn[n-]2)ccc1SCCCOc1ccccc1 ZINC000737645056 599066240 /nfs/dbraw/zinc/06/62/40/599066240.db2.gz PFFNVSMQIBKPHJ-UHFFFAOYSA-N -1 3 330.388 3.567 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1SCCCOc1ccccc1 ZINC000737645056 599066243 /nfs/dbraw/zinc/06/62/43/599066243.db2.gz PFFNVSMQIBKPHJ-UHFFFAOYSA-N -1 3 330.388 3.567 20 0 EHADHM Cc1nn(-c2ccccc2)c(CS[C@H](C)C(C)C)c1-c1nnn[n-]1 ZINC000822486316 599132019 /nfs/dbraw/zinc/13/20/19/599132019.db2.gz GFOSDWKBBAFRKF-CYBMUJFWSA-N -1 3 342.472 3.639 20 0 EHADHM Cc1ccccc1[C@@H](C)CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737422785 599161665 /nfs/dbraw/zinc/16/16/65/599161665.db2.gz OXCXMVIGMCFMMQ-GJZGRUSLSA-N -1 3 349.438 3.546 20 0 EHADHM Cc1ccccc1[C@@H](C)CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737422785 599161667 /nfs/dbraw/zinc/16/16/67/599161667.db2.gz OXCXMVIGMCFMMQ-GJZGRUSLSA-N -1 3 349.438 3.546 20 0 EHADHM CC(C)(C)c1cnc(CSc2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000735652825 599170323 /nfs/dbraw/zinc/17/03/23/599170323.db2.gz SKNLWPBJKLVLPF-UHFFFAOYSA-N -1 3 333.392 3.584 20 0 EHADHM CC(C)(C)c1cnc(CSc2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000735652825 599170325 /nfs/dbraw/zinc/17/03/25/599170325.db2.gz SKNLWPBJKLVLPF-UHFFFAOYSA-N -1 3 333.392 3.584 20 0 EHADHM Cc1c(NC(=O)N2CCCC[C@@H]2CC(C)C)cccc1-c1nnn[n-]1 ZINC000822084858 607285623 /nfs/dbraw/zinc/28/56/23/607285623.db2.gz QNFZJUMBQUBJNP-CQSZACIVSA-N -1 3 342.447 3.608 20 0 EHADHM Cc1c(NC(=O)N2CCCC[C@@H]2CC(C)C)cccc1-c1nn[n-]n1 ZINC000822084858 607285624 /nfs/dbraw/zinc/28/56/24/607285624.db2.gz QNFZJUMBQUBJNP-CQSZACIVSA-N -1 3 342.447 3.608 20 0 EHADHM c1sc(CNc2ccc3oc(C4CC4)nc3c2)cc1-c1nnn[n-]1 ZINC000823766912 607310208 /nfs/dbraw/zinc/31/02/08/607310208.db2.gz LUAHJMLAVHHPKY-UHFFFAOYSA-N -1 3 338.396 3.559 20 0 EHADHM c1sc(CNc2ccc3oc(C4CC4)nc3c2)cc1-c1nn[n-]n1 ZINC000823766912 607310209 /nfs/dbraw/zinc/31/02/09/607310209.db2.gz LUAHJMLAVHHPKY-UHFFFAOYSA-N -1 3 338.396 3.559 20 0 EHADHM c1sc(CNc2ccccc2OC2CCCC2)cc1-c1nnn[n-]1 ZINC000823786695 607313788 /nfs/dbraw/zinc/31/37/88/607313788.db2.gz BOAAVEGYNRTCEX-UHFFFAOYSA-N -1 3 341.440 3.862 20 0 EHADHM c1sc(CNc2ccccc2OC2CCCC2)cc1-c1nn[n-]n1 ZINC000823786695 607313789 /nfs/dbraw/zinc/31/37/89/607313789.db2.gz BOAAVEGYNRTCEX-UHFFFAOYSA-N -1 3 341.440 3.862 20 0 EHADHM FC(F)Sc1cccc(NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822737295 607316692 /nfs/dbraw/zinc/31/66/92/607316692.db2.gz TXUOUEIYWLJMIH-UHFFFAOYSA-N -1 3 333.367 3.794 20 0 EHADHM FC(F)Sc1cccc(NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822737295 607316693 /nfs/dbraw/zinc/31/66/93/607316693.db2.gz TXUOUEIYWLJMIH-UHFFFAOYSA-N -1 3 333.367 3.794 20 0 EHADHM CCCCN(C)c1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821060381 607316917 /nfs/dbraw/zinc/31/69/17/607316917.db2.gz CQIVGGULXVENAR-UHFFFAOYSA-N -1 3 336.443 3.715 20 0 EHADHM FC(F)(F)Cc1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000822718285 607318724 /nfs/dbraw/zinc/31/87/24/607318724.db2.gz GRQSTKLESOLSPT-UHFFFAOYSA-N -1 3 339.346 3.645 20 0 EHADHM CCC(CC)n1ccc(CSc2ccccc2-c2nnn[n-]2)n1 ZINC000820903690 607327150 /nfs/dbraw/zinc/32/71/50/607327150.db2.gz WLNJKQMEPODLBE-UHFFFAOYSA-N -1 3 328.445 3.717 20 0 EHADHM CCC(CC)n1ccc(CSc2ccccc2-c2nn[n-]n2)n1 ZINC000820903690 607327151 /nfs/dbraw/zinc/32/71/51/607327151.db2.gz WLNJKQMEPODLBE-UHFFFAOYSA-N -1 3 328.445 3.717 20 0 EHADHM CC(C)(C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735589557 598231114 /nfs/dbraw/zinc/23/11/14/598231114.db2.gz MIAIYYKCFXPYOB-UHFFFAOYSA-N -1 3 337.383 3.644 20 0 EHADHM CC(C)(C)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735589557 598231115 /nfs/dbraw/zinc/23/11/15/598231115.db2.gz MIAIYYKCFXPYOB-UHFFFAOYSA-N -1 3 337.383 3.644 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCc2c1cccc2Cl ZINC000737640297 598240803 /nfs/dbraw/zinc/24/08/03/598240803.db2.gz MQHJXHWRLHKIKM-CQSZACIVSA-N -1 3 329.766 3.759 20 0 EHADHM C[C@H](Cc1ccc(Cl)cc1Cl)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736055415 598245140 /nfs/dbraw/zinc/24/51/40/598245140.db2.gz DYWTVBXWXMONQE-SECBINFHSA-N -1 3 349.225 3.612 20 0 EHADHM C[C@H](Cc1ccc(Cl)cc1Cl)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736055415 598245141 /nfs/dbraw/zinc/24/51/41/598245141.db2.gz DYWTVBXWXMONQE-SECBINFHSA-N -1 3 349.225 3.612 20 0 EHADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)c1c(Cl)cccc1Cl ZINC000736026218 598298769 /nfs/dbraw/zinc/29/87/69/598298769.db2.gz MZVFRKIPUQOWMI-SECBINFHSA-N -1 3 349.225 3.784 20 0 EHADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)c1c(Cl)cccc1Cl ZINC000736026218 598298770 /nfs/dbraw/zinc/29/87/70/598298770.db2.gz MZVFRKIPUQOWMI-SECBINFHSA-N -1 3 349.225 3.784 20 0 EHADHM Clc1cccc2c1CC[C@@H]2Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737558155 598392586 /nfs/dbraw/zinc/39/25/86/598392586.db2.gz LIAXSABWJOWUCV-ZDUSSCGKSA-N -1 3 347.209 3.668 20 0 EHADHM Clc1cccc2c1CC[C@@H]2Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737558155 598392588 /nfs/dbraw/zinc/39/25/88/598392588.db2.gz LIAXSABWJOWUCV-ZDUSSCGKSA-N -1 3 347.209 3.668 20 0 EHADHM CC(=CC(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1Cl ZINC000735447773 598440329 /nfs/dbraw/zinc/44/03/29/598440329.db2.gz MCSAKMCIPLFLQX-KHPPLWFESA-N -1 3 340.770 3.529 20 0 EHADHM CC(=CC(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000735447773 598440330 /nfs/dbraw/zinc/44/03/30/598440330.db2.gz MCSAKMCIPLFLQX-KHPPLWFESA-N -1 3 340.770 3.529 20 0 EHADHM C[C@@H](OC(=O)CCCc1cccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000736148226 598488734 /nfs/dbraw/zinc/48/87/34/598488734.db2.gz GGSVUABCSAZBHS-GFCCVEGCSA-N -1 3 342.424 3.555 20 0 EHADHM C[C@@H](OC(=O)CCCc1cccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000736148226 598488736 /nfs/dbraw/zinc/48/87/36/598488736.db2.gz GGSVUABCSAZBHS-GFCCVEGCSA-N -1 3 342.424 3.555 20 0 EHADHM CCc1c(C)sc(NC(=O)C=Cc2ccsc2)c1-c1nnn[n-]1 ZINC000736669376 598516308 /nfs/dbraw/zinc/51/63/08/598516308.db2.gz GHKBQBKFFIPEJX-SNAWJCMRSA-N -1 3 345.453 3.512 20 0 EHADHM CCc1c(C)sc(NC(=O)C=Cc2ccsc2)c1-c1nn[n-]n1 ZINC000736669376 598516310 /nfs/dbraw/zinc/51/63/10/598516310.db2.gz GHKBQBKFFIPEJX-SNAWJCMRSA-N -1 3 345.453 3.512 20 0 EHADHM Cc1ccc(C[C@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)c(C)c1 ZINC000737334846 598538215 /nfs/dbraw/zinc/53/82/15/598538215.db2.gz MYHDZTOVWUAROO-LBPRGKRZSA-N -1 3 342.834 3.575 20 0 EHADHM Cc1ccc(C[C@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)c(C)c1 ZINC000737334846 598538217 /nfs/dbraw/zinc/53/82/17/598538217.db2.gz MYHDZTOVWUAROO-LBPRGKRZSA-N -1 3 342.834 3.575 20 0 EHADHM Fc1cc(OCc2cccc(C(F)(F)F)c2)ccc1-c1nnn[n-]1 ZINC000737652975 598550394 /nfs/dbraw/zinc/55/03/94/598550394.db2.gz PSNHJCDSGCMVKL-UHFFFAOYSA-N -1 3 338.264 3.604 20 0 EHADHM Fc1cc(OCc2cccc(C(F)(F)F)c2)ccc1-c1nn[n-]n1 ZINC000737652975 598550395 /nfs/dbraw/zinc/55/03/95/598550395.db2.gz PSNHJCDSGCMVKL-UHFFFAOYSA-N -1 3 338.264 3.604 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ncnc2c3ccccc3oc21 ZINC000737221065 598551194 /nfs/dbraw/zinc/55/11/94/598551194.db2.gz HRCQIWQQMRGCSA-UHFFFAOYSA-N -1 3 344.334 3.657 20 0 EHADHM CC(=CC(=O)Nc1ccccc1-c1nnn[n-]1)c1ccccc1Cl ZINC000735447966 598571064 /nfs/dbraw/zinc/57/10/64/598571064.db2.gz NETUEQCEEPEBET-ZHACJKMWSA-N -1 3 339.786 3.562 20 0 EHADHM CC(=CC(=O)Nc1ccccc1-c1nn[n-]n1)c1ccccc1Cl ZINC000735447966 598571065 /nfs/dbraw/zinc/57/10/65/598571065.db2.gz NETUEQCEEPEBET-ZHACJKMWSA-N -1 3 339.786 3.562 20 0 EHADHM CC(C)[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000591176520 598646939 /nfs/dbraw/zinc/64/69/39/598646939.db2.gz YUMCRCZLCQWCQG-QGZVFWFLSA-N -1 3 335.411 3.635 20 0 EHADHM CC(C)[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000591176520 598646941 /nfs/dbraw/zinc/64/69/41/598646941.db2.gz YUMCRCZLCQWCQG-QGZVFWFLSA-N -1 3 335.411 3.635 20 0 EHADHM Clc1cccc(NCCCOC2CCCCC2)c1-c1nnn[n-]1 ZINC000822585792 599320091 /nfs/dbraw/zinc/32/00/91/599320091.db2.gz NLZRLDIOKDTBTQ-UHFFFAOYSA-N -1 3 335.839 3.671 20 0 EHADHM Clc1cccc(NCCCOC2CCCCC2)c1-c1nn[n-]n1 ZINC000822585792 599320093 /nfs/dbraw/zinc/32/00/93/599320093.db2.gz NLZRLDIOKDTBTQ-UHFFFAOYSA-N -1 3 335.839 3.671 20 0 EHADHM CCc1nc(CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000736704546 599326686 /nfs/dbraw/zinc/32/66/86/599326686.db2.gz QSEDRDDKIAWARK-SNVBAGLBSA-N -1 3 331.470 3.880 20 0 EHADHM CCc1nc(CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000736704546 599326688 /nfs/dbraw/zinc/32/66/88/599326688.db2.gz QSEDRDDKIAWARK-SNVBAGLBSA-N -1 3 331.470 3.880 20 0 EHADHM FC(F)(F)Cc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737627241 599331416 /nfs/dbraw/zinc/33/14/16/599331416.db2.gz NJKNADBSWHMQMM-UHFFFAOYSA-N -1 3 333.317 3.584 20 0 EHADHM FC(F)(F)Cc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737627241 599331419 /nfs/dbraw/zinc/33/14/19/599331419.db2.gz NJKNADBSWHMQMM-UHFFFAOYSA-N -1 3 333.317 3.584 20 0 EHADHM CC(C)OCc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820146923 599370302 /nfs/dbraw/zinc/37/03/02/599370302.db2.gz UXNRHRWTTUXIAY-AWEZNQCLSA-N -1 3 337.427 3.965 20 0 EHADHM CC(C)OCc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820146923 599370304 /nfs/dbraw/zinc/37/03/04/599370304.db2.gz UXNRHRWTTUXIAY-AWEZNQCLSA-N -1 3 337.427 3.965 20 0 EHADHM COc1ccc(CCCNc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000737089658 599414995 /nfs/dbraw/zinc/41/49/95/599414995.db2.gz SXHHBDUNDGIYSR-UHFFFAOYSA-N -1 3 343.818 3.573 20 0 EHADHM COc1ccc(CCCNc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000737089658 599414996 /nfs/dbraw/zinc/41/49/96/599414996.db2.gz SXHHBDUNDGIYSR-UHFFFAOYSA-N -1 3 343.818 3.573 20 0 EHADHM CSc1ccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000737189890 599416801 /nfs/dbraw/zinc/41/68/01/599416801.db2.gz HKCHQMRSQYYOMF-UHFFFAOYSA-N -1 3 348.435 3.749 20 0 EHADHM CSc1ccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000737189890 599416804 /nfs/dbraw/zinc/41/68/04/599416804.db2.gz HKCHQMRSQYYOMF-UHFFFAOYSA-N -1 3 348.435 3.749 20 0 EHADHM CC(NCc1ccc(-c2nnn[n-]2)o1)(c1ccccc1)c1ccccc1 ZINC000820433249 599428059 /nfs/dbraw/zinc/42/80/59/599428059.db2.gz WVKLXAAXBXRYIF-UHFFFAOYSA-N -1 3 345.406 3.513 20 0 EHADHM CC(NCc1ccc(-c2nn[n-]n2)o1)(c1ccccc1)c1ccccc1 ZINC000820433249 599428063 /nfs/dbraw/zinc/42/80/63/599428063.db2.gz WVKLXAAXBXRYIF-UHFFFAOYSA-N -1 3 345.406 3.513 20 0 EHADHM Fc1ccc2c(c1)[C@@H](Nc1cc(-c3nnn[n-]3)c3ccccc3n1)CC2 ZINC000737664883 599432516 /nfs/dbraw/zinc/43/25/16/599432516.db2.gz GBMGTYFLPDZQGR-KRWDZBQOSA-N -1 3 346.369 3.653 20 0 EHADHM Fc1ccc2c(c1)[C@@H](Nc1cc(-c3nn[n-]n3)c3ccccc3n1)CC2 ZINC000737664883 599432518 /nfs/dbraw/zinc/43/25/18/599432518.db2.gz GBMGTYFLPDZQGR-KRWDZBQOSA-N -1 3 346.369 3.653 20 0 EHADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1cccc(F)c1-c1nnn[n-]1 ZINC000736233918 599472031 /nfs/dbraw/zinc/47/20/31/599472031.db2.gz HEOYTPJCMRNUCZ-AAEUAGOBSA-N -1 3 341.365 3.527 20 0 EHADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1cccc(F)c1-c1nn[n-]n1 ZINC000736233918 599472034 /nfs/dbraw/zinc/47/20/34/599472034.db2.gz HEOYTPJCMRNUCZ-AAEUAGOBSA-N -1 3 341.365 3.527 20 0 EHADHM Fc1ccc(N[C@H]2CCSc3c(F)cccc32)c(-c2nnn[n-]2)c1 ZINC000822778298 599472665 /nfs/dbraw/zinc/47/26/65/599472665.db2.gz HHYUTUDNTBRISB-AWEZNQCLSA-N -1 3 345.378 3.794 20 0 EHADHM Fc1ccc(N[C@H]2CCSc3c(F)cccc32)c(-c2nn[n-]n2)c1 ZINC000822778298 599472667 /nfs/dbraw/zinc/47/26/67/599472667.db2.gz HHYUTUDNTBRISB-AWEZNQCLSA-N -1 3 345.378 3.794 20 0 EHADHM C[C@H](Nc1c(Cl)cccc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000820450793 599486999 /nfs/dbraw/zinc/48/69/99/599486999.db2.gz PFHGZDDRZRVYPU-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@H](Nc1c(Cl)cccc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000820450793 599487000 /nfs/dbraw/zinc/48/70/00/599487000.db2.gz PFHGZDDRZRVYPU-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM CCC(=CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820833586 599519310 /nfs/dbraw/zinc/51/93/10/599519310.db2.gz ZKZTYNUTSOXSFS-JNINTMOKSA-N -1 3 347.422 3.538 20 0 EHADHM CCC(=CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820833586 599519312 /nfs/dbraw/zinc/51/93/12/599519312.db2.gz ZKZTYNUTSOXSFS-JNINTMOKSA-N -1 3 347.422 3.538 20 0 EHADHM Cc1ccc(C[C@@H](C)Nc2c(F)cc(-c3nnn[n-]3)cc2F)s1 ZINC000737334396 599528666 /nfs/dbraw/zinc/52/86/66/599528666.db2.gz HDDMUSZSAOSYEV-MRVPVSSYSA-N -1 3 335.383 3.558 20 0 EHADHM Cc1ccc(C[C@@H](C)Nc2c(F)cc(-c3nn[n-]n3)cc2F)s1 ZINC000737334396 599528669 /nfs/dbraw/zinc/52/86/69/599528669.db2.gz HDDMUSZSAOSYEV-MRVPVSSYSA-N -1 3 335.383 3.558 20 0 EHADHM Cc1ccccc1[C@H](C)CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822344809 599541029 /nfs/dbraw/zinc/54/10/29/599541029.db2.gz AJYDURRYLRHDOX-HUUCEWRRSA-N -1 3 349.438 3.546 20 0 EHADHM Cc1ccccc1[C@H](C)CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822344809 599541033 /nfs/dbraw/zinc/54/10/33/599541033.db2.gz AJYDURRYLRHDOX-HUUCEWRRSA-N -1 3 349.438 3.546 20 0 EHADHM CCN(C(=O)CCC(C)(C)C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501840 599542305 /nfs/dbraw/zinc/54/23/05/599542305.db2.gz HCQGBDSXHNMPIZ-ZDUSSCGKSA-N -1 3 329.448 3.603 20 0 EHADHM CCN(C(=O)CCC(C)(C)C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501840 599542307 /nfs/dbraw/zinc/54/23/07/599542307.db2.gz HCQGBDSXHNMPIZ-ZDUSSCGKSA-N -1 3 329.448 3.603 20 0 EHADHM Cc1cccc([C@@H]2CCCN2c2cccc(F)c2-c2nnn[n-]2)c1C ZINC000822299790 599578258 /nfs/dbraw/zinc/57/82/58/599578258.db2.gz VCTFNMSPJTUBRL-INIZCTEOSA-N -1 3 337.402 3.964 20 0 EHADHM Cc1cccc([C@@H]2CCCN2c2cccc(F)c2-c2nn[n-]n2)c1C ZINC000822299790 599578260 /nfs/dbraw/zinc/57/82/60/599578260.db2.gz VCTFNMSPJTUBRL-INIZCTEOSA-N -1 3 337.402 3.964 20 0 EHADHM O=C(OCc1cc(Cl)ccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000823413643 599649166 /nfs/dbraw/zinc/64/91/66/599649166.db2.gz LMFCEJABPWTAOQ-UHFFFAOYSA-N -1 3 349.177 3.531 20 0 EHADHM O=C(OCc1cc(Cl)ccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000823413643 599649167 /nfs/dbraw/zinc/64/91/67/599649167.db2.gz LMFCEJABPWTAOQ-UHFFFAOYSA-N -1 3 349.177 3.531 20 0 EHADHM CCC(C)(C)CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000820847653 599649602 /nfs/dbraw/zinc/64/96/02/599649602.db2.gz ILIIOUFURSFHTQ-UHFFFAOYSA-N -1 3 343.475 3.678 20 0 EHADHM CCC(C)(C)CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000820847653 599649603 /nfs/dbraw/zinc/64/96/03/599649603.db2.gz ILIIOUFURSFHTQ-UHFFFAOYSA-N -1 3 343.475 3.678 20 0 EHADHM Cc1nc(C)c([C@@H](C)N(C)CCOc2cccc(C(=O)[O-])c2)s1 ZINC000567054975 600092701 /nfs/dbraw/zinc/09/27/01/600092701.db2.gz HRBDNBRMSIUITQ-GFCCVEGCSA-N -1 3 334.441 3.530 20 0 EHADHM COc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1F ZINC000737947426 600419419 /nfs/dbraw/zinc/41/94/19/600419419.db2.gz IELVHJBAQGUZHA-MGPLVRAMSA-N -1 3 337.778 3.964 20 0 EHADHM COc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1F ZINC000737947422 600419423 /nfs/dbraw/zinc/41/94/23/600419423.db2.gz IELVHJBAQGUZHA-HWPZZCPQSA-N -1 3 337.778 3.964 20 0 EHADHM CC(=O)Nc1cccc([C@H](C)N[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000736168842 600420620 /nfs/dbraw/zinc/42/06/20/600420620.db2.gz VTFKNUQUMMITLF-GTNSWQLSSA-N -1 3 346.814 3.775 20 0 EHADHM CC[C@H]1CCc2ccccc2N1C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825204821 607443301 /nfs/dbraw/zinc/44/33/01/607443301.db2.gz SRKQILUOSSYHFC-INIZCTEOSA-N -1 3 347.422 3.547 20 0 EHADHM CC[C@H]1CCc2ccccc2N1C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825204821 607443303 /nfs/dbraw/zinc/44/33/03/607443303.db2.gz SRKQILUOSSYHFC-INIZCTEOSA-N -1 3 347.422 3.547 20 0 EHADHM O=C([O-])[C@H](NCc1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000391357047 600423104 /nfs/dbraw/zinc/42/31/04/600423104.db2.gz AWGSFINERXRWBK-CQSZACIVSA-N -1 3 327.277 3.760 20 0 EHADHM O=C([O-])c1cccc(CN2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000263445666 600440927 /nfs/dbraw/zinc/44/09/27/600440927.db2.gz FVOGPSAPCFTNMB-KRWDZBQOSA-N -1 3 341.382 3.619 20 0 EHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC(COc2ccccc2)CC1 ZINC000576590171 600540458 /nfs/dbraw/zinc/54/04/58/600540458.db2.gz RSNWZSZVYNJCMM-AWEZNQCLSA-N -1 3 329.396 3.830 20 0 EHADHM Cn1cc([C@@H]2CCCN2Cc2c3ccccc3sc2C(=O)[O-])cn1 ZINC000326704648 600825193 /nfs/dbraw/zinc/82/51/93/600825193.db2.gz YJGWAEHRIMPTKZ-HNNXBMFYSA-N -1 3 341.436 3.670 20 0 EHADHM CC(C)c1csc([C@H]2CCCN(Cc3occc3C(=O)[O-])C2)n1 ZINC000574047487 600973186 /nfs/dbraw/zinc/97/31/86/600973186.db2.gz ZJNLNXBRCOEDKD-LBPRGKRZSA-N -1 3 334.441 3.937 20 0 EHADHM CC(C)c1csc([C@@H]2CCCN(Cc3ccoc3C(=O)[O-])C2)n1 ZINC000578875239 600973479 /nfs/dbraw/zinc/97/34/79/600973479.db2.gz LTJLPPAZOIILDR-CYBMUJFWSA-N -1 3 334.441 3.937 20 0 EHADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC2(C1)CCCCC2 ZINC000738517324 600976565 /nfs/dbraw/zinc/97/65/65/600976565.db2.gz CIBNGGWZPCNQEN-HNNXBMFYSA-N -1 3 344.455 3.676 20 0 EHADHM Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2F)ccc1OC(C)C ZINC000822209755 607490827 /nfs/dbraw/zinc/49/08/27/607490827.db2.gz VNYHBQCDSYEECL-UHFFFAOYSA-N -1 3 341.390 3.714 20 0 EHADHM Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2F)ccc1OC(C)C ZINC000822209755 607490829 /nfs/dbraw/zinc/49/08/29/607490829.db2.gz VNYHBQCDSYEECL-UHFFFAOYSA-N -1 3 341.390 3.714 20 0 EHADHM CC(C)[C@@H]1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000826735879 601497172 /nfs/dbraw/zinc/49/71/72/601497172.db2.gz JNVHBSPGAKUMBX-OAHLLOKOSA-N -1 3 330.453 3.986 20 0 EHADHM COc1ccc(-c2ccc(CNCc3c[nH]c(C(=O)[O-])c3)cc2)cc1 ZINC000832116481 601834313 /nfs/dbraw/zinc/83/43/13/601834313.db2.gz XUOGYXGKAASTQJ-UHFFFAOYSA-N -1 3 336.391 3.678 20 0 EHADHM COCc1cccc(CSCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000826164671 607535757 /nfs/dbraw/zinc/53/57/57/607535757.db2.gz KKNDHLOVUFWVPT-UHFFFAOYSA-N -1 3 344.415 3.586 20 0 EHADHM COCc1cccc(CSCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000826164671 607535759 /nfs/dbraw/zinc/53/57/59/607535759.db2.gz KKNDHLOVUFWVPT-UHFFFAOYSA-N -1 3 344.415 3.586 20 0 EHADHM COc1ccc(CNc2ccccc2C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826203923 607547121 /nfs/dbraw/zinc/54/71/21/607547121.db2.gz MTJRDAXPRUOJTC-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM COc1ccc(CNc2ccccc2C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826203923 607547123 /nfs/dbraw/zinc/54/71/23/607547123.db2.gz MTJRDAXPRUOJTC-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM CC[C@H](c1ccc(Br)cc1)N1CCC(C(=O)[O-])CC1 ZINC000003758317 602197265 /nfs/dbraw/zinc/19/72/65/602197265.db2.gz KNIGQPLDBNWJSM-CQSZACIVSA-N -1 3 326.234 3.697 20 0 EHADHM Cc1ccc(Nc2nc(CN[C@H](C(=O)[O-])C(C)(C)C)cs2)cc1 ZINC000832950176 602226707 /nfs/dbraw/zinc/22/67/07/602226707.db2.gz FWBZEJABHPIOJU-CQSZACIVSA-N -1 3 333.457 3.784 20 0 EHADHM C[C@H](c1ccc(C(F)(F)F)cc1)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737722765 602533698 /nfs/dbraw/zinc/53/36/98/602533698.db2.gz XBQPMCUEOILZNR-LLVKDONJSA-N -1 3 330.350 3.841 20 0 EHADHM O=C([O-])N1CC[C@@H](CN2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000740502091 602977777 /nfs/dbraw/zinc/97/77/77/602977777.db2.gz DJSUXMRKHNISRQ-LRDDRELGSA-N -1 3 348.493 3.757 20 0 EHADHM Cc1ccc(-c2nc(CN[C@@H]3CCC[C@@H]3CNC(=O)[O-])cs2)cc1 ZINC000830154859 603167867 /nfs/dbraw/zinc/16/78/67/603167867.db2.gz JVMYSZIMPRAYRD-GDBMZVCRSA-N -1 3 345.468 3.644 20 0 EHADHM CC(C)c1nc([C@H](C)NCCC2CCN(C(=O)[O-])CC2)cs1 ZINC000738880927 603304673 /nfs/dbraw/zinc/30/46/73/603304673.db2.gz XKNCQVMPXOIINZ-LBPRGKRZSA-N -1 3 325.478 3.697 20 0 EHADHM C[C@H](NCc1ccc(NC(=O)[O-])nc1)c1ccc(OC(F)F)cc1 ZINC000825501105 603535057 /nfs/dbraw/zinc/53/50/57/603535057.db2.gz BSZUGYMVVZXSLO-JTQLQIEISA-N -1 3 337.326 3.624 20 0 EHADHM C[C@@H](c1ccc(Cl)cc1)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000825630783 604104144 /nfs/dbraw/zinc/10/41/44/604104144.db2.gz UXELARUYZWSCKD-ZDUSSCGKSA-N -1 3 340.851 3.540 20 0 EHADHM Fc1cc(-c2ccncc2)ccc1C=Cc1ccc(-c2nnn[n-]2)cn1 ZINC000826371349 607681768 /nfs/dbraw/zinc/68/17/68/607681768.db2.gz CLBZUTLYYVUWSC-HYXAFXHYSA-N -1 3 344.353 3.633 20 0 EHADHM Fc1cc(-c2ccncc2)ccc1C=Cc1ccc(-c2nn[n-]n2)cn1 ZINC000826371349 607681769 /nfs/dbraw/zinc/68/17/69/607681769.db2.gz CLBZUTLYYVUWSC-HYXAFXHYSA-N -1 3 344.353 3.633 20 0 EHADHM Fc1ccc(CNc2cccc3ccsc32)cc1-c1nnn[n-]1 ZINC000826374650 607688076 /nfs/dbraw/zinc/68/80/76/607688076.db2.gz HRAJDKFXDQKJTG-UHFFFAOYSA-N -1 3 325.372 3.833 20 0 EHADHM Fc1ccc(CNc2cccc3ccsc32)cc1-c1nn[n-]n1 ZINC000826374650 607688077 /nfs/dbraw/zinc/68/80/77/607688077.db2.gz HRAJDKFXDQKJTG-UHFFFAOYSA-N -1 3 325.372 3.833 20 0 EHADHM Cc1cc([C@H](C)N2CCC([C@@H](O)c3ccccc3)CC2)oc1C(=O)[O-] ZINC000832870274 604382013 /nfs/dbraw/zinc/38/20/13/604382013.db2.gz GBDVIZAIHGCZAV-KSSFIOAISA-N -1 3 343.423 3.793 20 0 EHADHM C[C@H](c1cccnc1)N(C)CCOc1ccc(C(=O)[O-])cc1Cl ZINC000833549762 604912885 /nfs/dbraw/zinc/91/28/85/604912885.db2.gz NWSVELFKSCAPTI-GFCCVEGCSA-N -1 3 334.803 3.505 20 0 EHADHM C[C@H](C[C@@H](O)c1cccs1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824391742 607732871 /nfs/dbraw/zinc/73/28/71/607732871.db2.gz KDALYEFGYBUUAQ-NOZJJQNGSA-N -1 3 349.847 3.506 20 0 EHADHM C[C@H](C[C@@H](O)c1cccs1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824391742 607732873 /nfs/dbraw/zinc/73/28/73/607732873.db2.gz KDALYEFGYBUUAQ-NOZJJQNGSA-N -1 3 349.847 3.506 20 0 EHADHM C[C@@H](C[C@@H](O)c1cccs1)Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824390990 607733072 /nfs/dbraw/zinc/73/30/72/607733072.db2.gz FYKYRLYCWBNTFM-TVQRCGJNSA-N -1 3 349.847 3.506 20 0 EHADHM C[C@@H](C[C@@H](O)c1cccs1)Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824390990 607733074 /nfs/dbraw/zinc/73/30/74/607733074.db2.gz FYKYRLYCWBNTFM-TVQRCGJNSA-N -1 3 349.847 3.506 20 0 EHADHM CC(C)(C)OC(=O)c1cccc(CN[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000417583608 605103244 /nfs/dbraw/zinc/10/32/44/605103244.db2.gz MFFMUMOWPNBSEI-KRWDZBQOSA-N -1 3 341.407 3.557 20 0 EHADHM CC(C)n1cc([C@@H](C)NCc2ccc([C@H](C)NC(=O)[O-])cc2)cn1 ZINC000825501318 605117705 /nfs/dbraw/zinc/11/77/05/605117705.db2.gz CCIDGIKQQUKIIH-KGLIPLIRSA-N -1 3 330.432 3.643 20 0 EHADHM O=C([O-])N[C@@H]1C[C@H](N[C@@H]2CCc3cc(F)ccc32)c2ccccc21 ZINC000834158989 605798116 /nfs/dbraw/zinc/79/81/16/605798116.db2.gz NOLSCDVKFQQAKZ-FGTMMUONSA-N -1 3 326.371 3.856 20 0 EHADHM Cc1cccc([C@@H]2CCCCN2c2ncccc2-c2nnn[n-]2)c1C ZINC000822299638 606062654 /nfs/dbraw/zinc/06/26/54/606062654.db2.gz PVRLMFPVTBWKBT-KRWDZBQOSA-N -1 3 334.427 3.610 20 0 EHADHM Cc1cccc([C@@H]2CCCCN2c2ncccc2-c2nn[n-]n2)c1C ZINC000822299638 606062659 /nfs/dbraw/zinc/06/26/59/606062659.db2.gz PVRLMFPVTBWKBT-KRWDZBQOSA-N -1 3 334.427 3.610 20 0 EHADHM C[C@@H](OC(=O)c1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820502271 606342879 /nfs/dbraw/zinc/34/28/79/606342879.db2.gz OURQPQULCWGCOZ-SECBINFHSA-N -1 3 346.749 3.577 20 0 EHADHM C[C@@H](OC(=O)c1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820502271 606342881 /nfs/dbraw/zinc/34/28/81/606342881.db2.gz OURQPQULCWGCOZ-SECBINFHSA-N -1 3 346.749 3.577 20 0 EHADHM O=C(Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C1CC=CC1 ZINC000823453819 606361597 /nfs/dbraw/zinc/36/15/97/606361597.db2.gz ARTUCHRDGNHHRY-UHFFFAOYSA-N -1 3 348.362 3.531 20 0 EHADHM O=C(Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C1CC=CC1 ZINC000823453819 606361599 /nfs/dbraw/zinc/36/15/99/606361599.db2.gz ARTUCHRDGNHHRY-UHFFFAOYSA-N -1 3 348.362 3.531 20 0 EHADHM CCCOc1cc(C)ccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821127864 606448346 /nfs/dbraw/zinc/44/83/46/606448346.db2.gz MVMSFEXXIINFFC-UHFFFAOYSA-N -1 3 341.390 3.715 20 0 EHADHM CCCOc1cc(C)ccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821127864 606448348 /nfs/dbraw/zinc/44/83/48/606448348.db2.gz MVMSFEXXIINFFC-UHFFFAOYSA-N -1 3 341.390 3.715 20 0 EHADHM COc1ccc(NCc2cccc(-c3nnn[n-]3)c2)c(C(F)(F)F)c1 ZINC000821835381 606449174 /nfs/dbraw/zinc/44/91/74/606449174.db2.gz IZFRIRXKFCJGSH-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM COc1ccc(NCc2cccc(-c3nn[n-]n3)c2)c(C(F)(F)F)c1 ZINC000821835381 606449176 /nfs/dbraw/zinc/44/91/76/606449176.db2.gz IZFRIRXKFCJGSH-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM CCc1ccc(CC)c(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000821480346 606459740 /nfs/dbraw/zinc/45/97/40/606459740.db2.gz BMIALBQMXAAFMS-VAWYXSNFSA-N -1 3 347.422 3.643 20 0 EHADHM CCc1ccc(CC)c(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000821480346 606459745 /nfs/dbraw/zinc/45/97/45/606459745.db2.gz BMIALBQMXAAFMS-VAWYXSNFSA-N -1 3 347.422 3.643 20 0 EHADHM CC(C)(C)C(=O)c1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819897900 606463468 /nfs/dbraw/zinc/46/34/68/606463468.db2.gz AXGYCEVATCZXDE-UHFFFAOYSA-N -1 3 335.411 3.708 20 0 EHADHM CC(C)(C)C(=O)c1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819897900 606463470 /nfs/dbraw/zinc/46/34/70/606463470.db2.gz AXGYCEVATCZXDE-UHFFFAOYSA-N -1 3 335.411 3.708 20 0 EHADHM CC(C)N(C(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(Cl)cc1 ZINC000820112513 606501941 /nfs/dbraw/zinc/50/19/41/606501941.db2.gz WIWOQAQLFPWXMP-UHFFFAOYSA-N -1 3 347.831 3.637 20 0 EHADHM CC(C)N(C(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(Cl)cc1 ZINC000820112513 606501942 /nfs/dbraw/zinc/50/19/42/606501942.db2.gz WIWOQAQLFPWXMP-UHFFFAOYSA-N -1 3 347.831 3.637 20 0 EHADHM CCC1(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CC1 ZINC000820944854 606551897 /nfs/dbraw/zinc/55/18/97/606551897.db2.gz PMWJGHRQAYWEEF-UHFFFAOYSA-N -1 3 349.394 3.788 20 0 EHADHM CCC1(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000820944854 606551900 /nfs/dbraw/zinc/55/19/00/606551900.db2.gz PMWJGHRQAYWEEF-UHFFFAOYSA-N -1 3 349.394 3.788 20 0 EHADHM Fc1cccc(NC[C@H]2CCC[C@H](C(F)(F)F)C2)c1-c1nnn[n-]1 ZINC000822792174 606596019 /nfs/dbraw/zinc/59/60/19/606596019.db2.gz QDSIUEAXAOXDTA-UWVGGRQHSA-N -1 3 343.328 3.786 20 0 EHADHM Fc1cccc(NC[C@H]2CCC[C@H](C(F)(F)F)C2)c1-c1nn[n-]n1 ZINC000822792174 606596021 /nfs/dbraw/zinc/59/60/21/606596021.db2.gz QDSIUEAXAOXDTA-UWVGGRQHSA-N -1 3 343.328 3.786 20 0 EHADHM Fc1ccc(NC[C@@H]2CCC[C@H](C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000822778241 606596224 /nfs/dbraw/zinc/59/62/24/606596224.db2.gz GHJSIJAXLMVRNB-ZJUUUORDSA-N -1 3 343.328 3.786 20 0 EHADHM Fc1ccc(NC[C@@H]2CCC[C@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000822778241 606596226 /nfs/dbraw/zinc/59/62/26/606596226.db2.gz GHJSIJAXLMVRNB-ZJUUUORDSA-N -1 3 343.328 3.786 20 0 EHADHM Clc1ccc(SCc2nc3ccccc3o2)c(-c2nnn[n-]2)c1 ZINC000822578875 606630658 /nfs/dbraw/zinc/63/06/58/606630658.db2.gz SATBUJMSOWOJFY-UHFFFAOYSA-N -1 3 343.799 3.954 20 0 EHADHM Clc1ccc(SCc2nc3ccccc3o2)c(-c2nn[n-]n2)c1 ZINC000822578875 606630659 /nfs/dbraw/zinc/63/06/59/606630659.db2.gz SATBUJMSOWOJFY-UHFFFAOYSA-N -1 3 343.799 3.954 20 0 EHADHM CCCCCC(C)(C)CNC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000821043706 606687183 /nfs/dbraw/zinc/68/71/83/606687183.db2.gz SWGRYVHJIYLMGS-UHFFFAOYSA-N -1 3 343.475 3.522 20 0 EHADHM CCCCCC(C)(C)CNC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000821043706 606687184 /nfs/dbraw/zinc/68/71/84/606687184.db2.gz SWGRYVHJIYLMGS-UHFFFAOYSA-N -1 3 343.475 3.522 20 0 EHADHM CCc1noc(-c2ccc(Oc3ccc(-c4nn[n-]n4)cc3C)cc2)n1 ZINC000821553486 606763467 /nfs/dbraw/zinc/76/34/67/606763467.db2.gz JSOZUVYYAXUWFD-UHFFFAOYSA-N -1 3 348.366 3.580 20 0 EHADHM Fc1ccc2oc(C(Cl)=Cc3ccc(-c4nnn[n-]4)cc3)nc2c1 ZINC000822787266 606764290 /nfs/dbraw/zinc/76/42/90/606764290.db2.gz WDILUJILKFFKMN-KPKJPENVSA-N -1 3 341.733 3.884 20 0 EHADHM Fc1ccc2oc(C(Cl)=Cc3ccc(-c4nn[n-]n4)cc3)nc2c1 ZINC000822787266 606764291 /nfs/dbraw/zinc/76/42/91/606764291.db2.gz WDILUJILKFFKMN-KPKJPENVSA-N -1 3 341.733 3.884 20 0 EHADHM Fc1ccc(CNc2ccc(Cl)cc2Cl)cc1-c1nnn[n-]1 ZINC000822771996 606926207 /nfs/dbraw/zinc/92/62/07/606926207.db2.gz ODMWJVQPUXSUSB-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM Fc1ccc(CNc2ccc(Cl)cc2Cl)cc1-c1nn[n-]n1 ZINC000822771996 606926208 /nfs/dbraw/zinc/92/62/08/606926208.db2.gz ODMWJVQPUXSUSB-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM CCc1cc2c(ncnc2Sc2cccc(-c3nnn[n-]3)c2)s1 ZINC000821476083 606944387 /nfs/dbraw/zinc/94/43/87/606944387.db2.gz GQFFGAIMGMGRQB-UHFFFAOYSA-N -1 3 340.437 3.585 20 0 EHADHM CCc1cc2c(ncnc2Sc2cccc(-c3nn[n-]n3)c2)s1 ZINC000821476083 606944388 /nfs/dbraw/zinc/94/43/88/606944388.db2.gz GQFFGAIMGMGRQB-UHFFFAOYSA-N -1 3 340.437 3.585 20 0 EHADHM CCOc1cc(Cl)ccc1NCc1ccccc1-c1nnn[n-]1 ZINC000821393800 607032471 /nfs/dbraw/zinc/03/24/71/607032471.db2.gz BGDZNAGYNDZMFH-UHFFFAOYSA-N -1 3 329.791 3.531 20 0 EHADHM CCOc1cc(Cl)ccc1NCc1ccccc1-c1nn[n-]n1 ZINC000821393800 607032473 /nfs/dbraw/zinc/03/24/73/607032473.db2.gz BGDZNAGYNDZMFH-UHFFFAOYSA-N -1 3 329.791 3.531 20 0 EHADHM Cc1cccc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1C ZINC000822324261 607198603 /nfs/dbraw/zinc/19/86/03/607198603.db2.gz YHVXIAOKANKZPF-UHFFFAOYSA-N -1 3 342.790 3.781 20 0 EHADHM Cc1cccc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1C ZINC000822324261 607198604 /nfs/dbraw/zinc/19/86/04/607198604.db2.gz YHVXIAOKANKZPF-UHFFFAOYSA-N -1 3 342.790 3.781 20 0 EHADHM CC1(C)CCCC[C@H]1CC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000824802754 607786156 /nfs/dbraw/zinc/78/61/56/607786156.db2.gz PPFPVAXDSWHAJH-NSHDSACASA-N -1 3 331.395 3.551 20 0 EHADHM CC1(C)CCCC[C@H]1CC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000824802754 607786157 /nfs/dbraw/zinc/78/61/57/607786157.db2.gz PPFPVAXDSWHAJH-NSHDSACASA-N -1 3 331.395 3.551 20 0 EHADHM CCSc1ccccc1OCc1ccc(-c2nnn[n-]2)cc1F ZINC000825675063 607866781 /nfs/dbraw/zinc/86/67/81/607866781.db2.gz VMPIFORKRZOGAW-UHFFFAOYSA-N -1 3 330.388 3.697 20 0 EHADHM CCSc1ccccc1OCc1ccc(-c2nn[n-]n2)cc1F ZINC000825675063 607866782 /nfs/dbraw/zinc/86/67/82/607866782.db2.gz VMPIFORKRZOGAW-UHFFFAOYSA-N -1 3 330.388 3.697 20 0 EHADHM Fc1cc(-c2nnn[n-]2)ccc1SCc1csc(C2CC2)n1 ZINC000826372338 607965991 /nfs/dbraw/zinc/96/59/91/607965991.db2.gz RZQPKQFWZTWHKQ-UHFFFAOYSA-N -1 3 333.417 3.632 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1SCc1csc(C2CC2)n1 ZINC000826372338 607965992 /nfs/dbraw/zinc/96/59/92/607965992.db2.gz RZQPKQFWZTWHKQ-UHFFFAOYSA-N -1 3 333.417 3.632 20 0 EHADHM C[C@@H](OC(=O)c1c(F)cccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000824714505 608181834 /nfs/dbraw/zinc/18/18/34/608181834.db2.gz NNBBSNIIKUZZRZ-SECBINFHSA-N -1 3 346.749 3.577 20 0 EHADHM C[C@@H](OC(=O)c1c(F)cccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000824714505 608181836 /nfs/dbraw/zinc/18/18/36/608181836.db2.gz NNBBSNIIKUZZRZ-SECBINFHSA-N -1 3 346.749 3.577 20 0 EHADHM Cc1cccc(C2(C(=O)O[C@@H](C)c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826296694 608182890 /nfs/dbraw/zinc/18/28/90/608182890.db2.gz GDEUYVJLNQLEGO-AWEZNQCLSA-N -1 3 348.406 3.511 20 0 EHADHM Cc1cccc(C2(C(=O)O[C@@H](C)c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826296694 608182892 /nfs/dbraw/zinc/18/28/92/608182892.db2.gz GDEUYVJLNQLEGO-AWEZNQCLSA-N -1 3 348.406 3.511 20 0 EHADHM C[C@@H](OC(=O)[C@@H]1CCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000824713714 608184950 /nfs/dbraw/zinc/18/49/50/608184950.db2.gz KEBACSLHXCESGT-FZKQIMNGSA-N -1 3 348.406 3.591 20 0 EHADHM C[C@@H](OC(=O)[C@@H]1CCCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000824713714 608184952 /nfs/dbraw/zinc/18/49/52/608184952.db2.gz KEBACSLHXCESGT-FZKQIMNGSA-N -1 3 348.406 3.591 20 0 EHADHM Cc1cnc(COc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)s1 ZINC000826318568 608216927 /nfs/dbraw/zinc/21/69/27/608216927.db2.gz PHLDVKAMGGLAOW-UHFFFAOYSA-N -1 3 349.419 3.878 20 0 EHADHM Cc1cnc(COc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)s1 ZINC000826318568 608216929 /nfs/dbraw/zinc/21/69/29/608216929.db2.gz PHLDVKAMGGLAOW-UHFFFAOYSA-N -1 3 349.419 3.878 20 0 EHADHM COc1ccccc1[C@@H](C)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826218501 608221680 /nfs/dbraw/zinc/22/16/80/608221680.db2.gz DUPDGFQADTZYKP-GFCCVEGCSA-N -1 3 346.394 3.597 20 0 EHADHM COc1ccccc1[C@@H](C)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826218501 608221681 /nfs/dbraw/zinc/22/16/81/608221681.db2.gz DUPDGFQADTZYKP-GFCCVEGCSA-N -1 3 346.394 3.597 20 0 EHADHM C[C@H](OC(=O)[C@H](c1ccccc1)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824713078 608246784 /nfs/dbraw/zinc/24/67/84/608246784.db2.gz GJVKPDXNEAZBBF-SCLBCKFNSA-N -1 3 348.406 3.665 20 0 EHADHM C[C@H](OC(=O)[C@H](c1ccccc1)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824713078 608246785 /nfs/dbraw/zinc/24/67/85/608246785.db2.gz GJVKPDXNEAZBBF-SCLBCKFNSA-N -1 3 348.406 3.665 20 0 EHADHM Cc1c2ccccc2oc1[C@H](C)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC000826274923 608275974 /nfs/dbraw/zinc/27/59/74/608275974.db2.gz JAGUKIGUBGLJCY-LBPRGKRZSA-N -1 3 334.383 3.798 20 0 EHADHM Cc1c2ccccc2oc1[C@H](C)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC000826274923 608275976 /nfs/dbraw/zinc/27/59/76/608275976.db2.gz JAGUKIGUBGLJCY-LBPRGKRZSA-N -1 3 334.383 3.798 20 0 EHADHM Fc1c(CSc2cccc3cccnc32)cccc1-c1nnn[n-]1 ZINC000826370950 608396922 /nfs/dbraw/zinc/39/69/22/608396922.db2.gz MSJINQUPTMBEJF-UHFFFAOYSA-N -1 3 337.383 3.846 20 0 EHADHM Fc1c(CSc2cccc3cccnc32)cccc1-c1nn[n-]n1 ZINC000826370950 608396924 /nfs/dbraw/zinc/39/69/24/608396924.db2.gz MSJINQUPTMBEJF-UHFFFAOYSA-N -1 3 337.383 3.846 20 0 EHADHM Cc1nc(CCS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826326056 608477479 /nfs/dbraw/zinc/47/74/79/608477479.db2.gz XPHWPAKPANILBM-SNVBAGLBSA-N -1 3 331.470 3.669 20 0 EHADHM Cc1nc(CCS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000826326056 608477480 /nfs/dbraw/zinc/47/74/80/608477480.db2.gz XPHWPAKPANILBM-SNVBAGLBSA-N -1 3 331.470 3.669 20 0 EHADHM CN(Cc1ccccc1-c1ccccc1)c1cnccc1-c1nnn[n-]1 ZINC000825981558 608779620 /nfs/dbraw/zinc/77/96/20/608779620.db2.gz UTTHHMAJKVSOCU-UHFFFAOYSA-N -1 3 342.406 3.565 20 0 EHADHM CN(Cc1ccccc1-c1ccccc1)c1cnccc1-c1nn[n-]n1 ZINC000825981558 608779621 /nfs/dbraw/zinc/77/96/21/608779621.db2.gz UTTHHMAJKVSOCU-UHFFFAOYSA-N -1 3 342.406 3.565 20 0 EHADHM COc1ccc(CNc2ccc(-c3nn[n-]n3)cc2)c2ccccc12 ZINC000826204040 608865588 /nfs/dbraw/zinc/86/55/88/608865588.db2.gz UIYNWGXYRZTUDE-UHFFFAOYSA-N -1 3 331.379 3.641 20 0 EHADHM CSc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826230587 609161434 /nfs/dbraw/zinc/16/14/34/609161434.db2.gz AKMQDIKKNVMRCY-JTQLQIEISA-N -1 3 329.404 3.901 20 0 EHADHM CSc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826230587 609161436 /nfs/dbraw/zinc/16/14/36/609161436.db2.gz AKMQDIKKNVMRCY-JTQLQIEISA-N -1 3 329.404 3.901 20 0 EHADHM C[C@@H]1CCN(c2c(F)cc(-c3nnn[n-]3)cc2F)[C@@H](c2ccco2)C1 ZINC000824961683 609164438 /nfs/dbraw/zinc/16/44/38/609164438.db2.gz GHGGAJLADFYZMS-QMTHXVAHSA-N -1 3 345.353 3.716 20 0 EHADHM C[C@@H]1CCN(c2c(F)cc(-c3nn[n-]n3)cc2F)[C@@H](c2ccco2)C1 ZINC000824961683 609164440 /nfs/dbraw/zinc/16/44/40/609164440.db2.gz GHGGAJLADFYZMS-QMTHXVAHSA-N -1 3 345.353 3.716 20 0 EHADHM C[C@@H](Nc1ccc(OCC(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824658674 609243610 /nfs/dbraw/zinc/24/36/10/609243610.db2.gz ZZFXPBXDXDHDKB-LLVKDONJSA-N -1 3 345.353 3.684 20 0 EHADHM C[C@@H](Nc1ccc(OCC(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824658674 609243612 /nfs/dbraw/zinc/24/36/12/609243612.db2.gz ZZFXPBXDXDHDKB-LLVKDONJSA-N -1 3 345.353 3.684 20 0 EHADHM CC(C)Oc1ccc(NCc2ccc(CF)cc2)cc1-c1nnn[n-]1 ZINC000824329936 609266728 /nfs/dbraw/zinc/26/67/28/609266728.db2.gz YKVRGOMCIQHNQS-UHFFFAOYSA-N -1 3 341.390 3.736 20 0 EHADHM CC(C)Oc1ccc(NCc2ccc(CF)cc2)cc1-c1nn[n-]n1 ZINC000824329936 609266730 /nfs/dbraw/zinc/26/67/30/609266730.db2.gz YKVRGOMCIQHNQS-UHFFFAOYSA-N -1 3 341.390 3.736 20 0 EHADHM COc1ccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c2cccnc12 ZINC000826210268 609276911 /nfs/dbraw/zinc/27/69/11/609276911.db2.gz KSKCVQVXOOMJJN-GFCCVEGCSA-N -1 3 346.394 3.597 20 0 EHADHM COc1ccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c2cccnc12 ZINC000826210268 609276913 /nfs/dbraw/zinc/27/69/13/609276913.db2.gz KSKCVQVXOOMJJN-GFCCVEGCSA-N -1 3 346.394 3.597 20 0 EHADHM CC(C)n1ncc2cc(N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000824656574 609279308 /nfs/dbraw/zinc/27/93/08/609279308.db2.gz MBYLNXPIQIVXCA-CYBMUJFWSA-N -1 3 347.426 3.970 20 0 EHADHM CC(C)n1ncc2cc(N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000824656574 609279310 /nfs/dbraw/zinc/27/93/10/609279310.db2.gz MBYLNXPIQIVXCA-CYBMUJFWSA-N -1 3 347.426 3.970 20 0 EHADHM COc1c(C)ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000826166834 609346613 /nfs/dbraw/zinc/34/66/13/609346613.db2.gz CZXGDNVSSCVAJP-LBPRGKRZSA-N -1 3 341.390 3.804 20 0 EHADHM COc1c(C)ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000826166834 609346615 /nfs/dbraw/zinc/34/66/15/609346615.db2.gz CZXGDNVSSCVAJP-LBPRGKRZSA-N -1 3 341.390 3.804 20 0 EHADHM CC(C)Oc1c(F)cc(NCc2ccccc2-c2nnn[n-]2)cc1F ZINC000824315677 609480188 /nfs/dbraw/zinc/48/01/88/609480188.db2.gz TUPQQTXWGBBCLZ-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM CC(C)Oc1c(F)cc(NCc2ccccc2-c2nn[n-]n2)cc1F ZINC000824315677 609480191 /nfs/dbraw/zinc/48/01/91/609480191.db2.gz TUPQQTXWGBBCLZ-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM Cc1ccnc(N[C@H](C)c2ccc3ccccc3c2)c1-c1nnn[n-]1 ZINC000826312001 609520850 /nfs/dbraw/zinc/52/08/50/609520850.db2.gz SUPBPTCLAVOQLU-CYBMUJFWSA-N -1 3 330.395 3.896 20 0 EHADHM Cc1ccnc(N[C@H](C)c2ccc3ccccc3c2)c1-c1nn[n-]n1 ZINC000826312001 609520851 /nfs/dbraw/zinc/52/08/51/609520851.db2.gz SUPBPTCLAVOQLU-CYBMUJFWSA-N -1 3 330.395 3.896 20 0 EHADHM Cc1c(Cl)cnc(N2CCC[C@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826238074 609526743 /nfs/dbraw/zinc/52/67/43/609526743.db2.gz VUCPKVHFXATDOD-AWEZNQCLSA-N -1 3 340.818 3.565 20 0 EHADHM Cc1c(Cl)cnc(N2CCC[C@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826238074 609526744 /nfs/dbraw/zinc/52/67/44/609526744.db2.gz VUCPKVHFXATDOD-AWEZNQCLSA-N -1 3 340.818 3.565 20 0 EHADHM Cc1ccnc(N2CCC[C@H]2c2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC000826310927 609529788 /nfs/dbraw/zinc/52/97/88/609529788.db2.gz NWLIXTCOJQLNDN-AWEZNQCLSA-N -1 3 340.818 3.565 20 0 EHADHM Cc1ccnc(N2CCC[C@H]2c2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000826310927 609529789 /nfs/dbraw/zinc/52/97/89/609529789.db2.gz NWLIXTCOJQLNDN-AWEZNQCLSA-N -1 3 340.818 3.565 20 0 EHADHM CC(C)Sc1ccc([C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000820184226 945366854 /nfs/dbraw/zinc/36/68/54/945366854.db2.gz XMLPGDVSLRLPRX-LBPRGKRZSA-N -1 3 340.456 3.935 20 0 EHADHM CC(C)Sc1ccc([C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000820184226 945366868 /nfs/dbraw/zinc/36/68/68/945366868.db2.gz XMLPGDVSLRLPRX-LBPRGKRZSA-N -1 3 340.456 3.935 20 0 EHADHM CC(C)c1ccc2occ(C(=O)Nc3cccc(-c4nnn[n-]4)c3)c2c1 ZINC000557395537 944637306 /nfs/dbraw/zinc/63/73/06/944637306.db2.gz BFPLZGYSJKUBRT-UHFFFAOYSA-N -1 3 347.378 3.989 20 0 EHADHM CC(C)c1ccc2occ(C(=O)Nc3cccc(-c4nn[n-]n4)c3)c2c1 ZINC000557395537 944637310 /nfs/dbraw/zinc/63/73/10/944637310.db2.gz BFPLZGYSJKUBRT-UHFFFAOYSA-N -1 3 347.378 3.989 20 0 EHADHM C[C@H](NC(=O)CC1CC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824477880 946728395 /nfs/dbraw/zinc/72/83/95/946728395.db2.gz CQJIISBRLLQZNP-ZDUSSCGKSA-N -1 3 347.422 3.511 20 0 EHADHM C[C@H](NC(=O)CC1CC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824477880 946728400 /nfs/dbraw/zinc/72/84/00/946728400.db2.gz CQJIISBRLLQZNP-ZDUSSCGKSA-N -1 3 347.422 3.511 20 0 EHADHM CCCCC[C@@H](CC)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825266274 947135337 /nfs/dbraw/zinc/13/53/37/947135337.db2.gz DJFKGCDWIACQAG-ZIAGYGMSSA-N -1 3 329.448 3.650 20 0 EHADHM CCCCC[C@@H](CC)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825266274 947135344 /nfs/dbraw/zinc/13/53/44/947135344.db2.gz DJFKGCDWIACQAG-ZIAGYGMSSA-N -1 3 329.448 3.650 20 0 EHADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc(C(F)(F)F)cc1 ZINC000826170864 947534834 /nfs/dbraw/zinc/53/48/34/947534834.db2.gz SBIMHYXIBFRDBV-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc(C(F)(F)F)cc1 ZINC000826170864 947534845 /nfs/dbraw/zinc/53/48/45/947534845.db2.gz SBIMHYXIBFRDBV-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1Cl ZINC001464616962 948530878 /nfs/dbraw/zinc/53/08/78/948530878.db2.gz DBRLTNXCTSDDSC-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1Cl ZINC001464616962 948530883 /nfs/dbraw/zinc/53/08/83/948530883.db2.gz DBRLTNXCTSDDSC-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM CC(F)(F)c1c(F)cccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC001575244158 949011335 /nfs/dbraw/zinc/01/13/35/949011335.db2.gz WEUIKDRKEIFAKV-UHFFFAOYSA-N -1 3 333.317 3.730 20 0 EHADHM CC(F)(F)c1c(F)cccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC001575244158 949011353 /nfs/dbraw/zinc/01/13/53/949011353.db2.gz WEUIKDRKEIFAKV-UHFFFAOYSA-N -1 3 333.317 3.730 20 0 EHADHM C[C@@H]1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)c3ccsc32)[C@H]1C ZINC001576156954 949468372 /nfs/dbraw/zinc/46/83/72/949468372.db2.gz YNZRDZNGFCTTGZ-GBIKHYSHSA-N -1 3 328.445 3.713 20 0 EHADHM C[C@@H]1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)c3ccsc32)[C@H]1C ZINC001576156954 949468390 /nfs/dbraw/zinc/46/83/90/949468390.db2.gz YNZRDZNGFCTTGZ-GBIKHYSHSA-N -1 3 328.445 3.713 20 0 EHADHM O=C([O-])c1cccc(CN(Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC001595242200 949477392 /nfs/dbraw/zinc/47/73/92/949477392.db2.gz PMOUYOVWOSDLGR-LJQANCHMSA-N -1 3 325.408 3.566 20 0 EHADHM O=C([O-])c1ccccc1CNCc1ccc(OCc2ccncc2)cc1 ZINC001595255531 949597879 /nfs/dbraw/zinc/59/78/79/949597879.db2.gz SZKNBWUQIDMZRF-UHFFFAOYSA-N -1 3 348.402 3.649 20 0 EHADHM C[C@@H](CC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)CC(C)(C)C ZINC001574520665 950744769 /nfs/dbraw/zinc/74/47/69/950744769.db2.gz WOFGQUPWIDSIHO-STQMWFEESA-N -1 3 330.432 3.933 20 0 EHADHM C[C@@H](CC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)CC(C)(C)C ZINC001574520665 950744785 /nfs/dbraw/zinc/74/47/85/950744785.db2.gz WOFGQUPWIDSIHO-STQMWFEESA-N -1 3 330.432 3.933 20 0 EHADHM O=C([O-])c1ccccc1OCCN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000573330873 953672789 /nfs/dbraw/zinc/67/27/89/953672789.db2.gz CTXRKQFTSNTTRQ-CYBMUJFWSA-N -1 3 347.361 3.531 20 0 EHADHM C[C@@H](CCN1Cc2ccccc2[C@@H](C(=O)[O-])C1)OCc1ccccc1 ZINC000652470181 954086841 /nfs/dbraw/zinc/08/68/41/954086841.db2.gz QDQYDJTVLXVHHF-JXFKEZNVSA-N -1 3 339.435 3.666 20 0 EHADHM Cn1nc(C(=O)[O-])cc1CN[C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC001594571410 955880075 /nfs/dbraw/zinc/88/00/75/955880075.db2.gz NKNALGMKHIRVAW-LJQANCHMSA-N -1 3 347.418 3.562 20 0 EHADHM COc1ccc(CN(C)CCOc2ccccc2C(=O)[O-])cc1Cl ZINC001594092172 958355910 /nfs/dbraw/zinc/35/59/10/958355910.db2.gz MAXAJTUOPGHVMD-UHFFFAOYSA-N -1 3 349.814 3.558 20 0 EHADHM CC[C@H]1c2ccsc2CCN1CCOc1ccccc1C(=O)[O-] ZINC000183915758 959455675 /nfs/dbraw/zinc/45/56/75/959455675.db2.gz CWEJFXRDAXUXHN-HNNXBMFYSA-N -1 3 331.437 3.835 20 0 EHADHM CC(C)C[C@H](CNCc1csc(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000263503487 962685360 /nfs/dbraw/zinc/68/53/60/962685360.db2.gz UQVBBPKBFYOOHW-CYBMUJFWSA-N -1 3 336.432 3.786 20 0 EHADHM O=C([O-])c1ccccc1OCCNC1(c2ccc(F)cc2F)CCC1 ZINC001606528915 974040243 /nfs/dbraw/zinc/04/02/43/974040243.db2.gz KJVBBJIOYUEGRO-UHFFFAOYSA-N -1 3 347.361 3.711 20 0 EHADHM Cc1cc(Br)ccc1CN[C@@H](C(=O)[O-])c1ccsc1 ZINC000426792970 974047472 /nfs/dbraw/zinc/04/74/72/974047472.db2.gz OLYXIVAZPMGUOD-CYBMUJFWSA-N -1 3 340.242 3.735 20 0 EHADHM COc1ccc(C2CCN(Cc3ccc(C(=O)[O-])cc3F)CC2)cc1 ZINC000515306057 974297183 /nfs/dbraw/zinc/29/71/83/974297183.db2.gz SHDBHFGPHOJDDY-UHFFFAOYSA-N -1 3 343.398 3.912 20 0 EHADHM Cc1oc(CN2CC[C@H](CSc3ccccc3)C2)cc1C(=O)[O-] ZINC000566361604 974609607 /nfs/dbraw/zinc/60/96/07/974609607.db2.gz LDQFLBAEHMPNRU-AWEZNQCLSA-N -1 3 331.437 3.900 20 0 EHADHM CC1(C)CN([C@@H](C(=O)[O-])c2ccccc2F)CC[C@H]1C(F)(F)F ZINC000568521042 974673671 /nfs/dbraw/zinc/67/36/71/974673671.db2.gz DVOPILVQLOJYQW-CHWSQXEVSA-N -1 3 333.325 3.862 20 0 EHADHM O=C([O-])[C@@]1(c2ccccc2)CCN(Cc2cc(Cl)ccc2F)C1 ZINC000581672514 974914011 /nfs/dbraw/zinc/91/40/11/974914011.db2.gz OKSAFZOMXPRHQU-SFHVURJKSA-N -1 3 333.790 3.707 20 0 EHADHM O=C([O-])[C@H](NCc1ccc(F)cc1)c1cccc(Br)c1 ZINC000683172440 976078559 /nfs/dbraw/zinc/07/85/59/976078559.db2.gz AAYTYMKKDGXDOS-CQSZACIVSA-N -1 3 338.176 3.504 20 0 EHADHM CCOc1cc(CNCc2cccc(C(=O)[O-])c2)cc(Cl)c1OC ZINC000683176104 976079384 /nfs/dbraw/zinc/07/93/84/976079384.db2.gz GTMIMQJWXZVYKL-UHFFFAOYSA-N -1 3 349.814 3.735 20 0 EHADHM CC(C)n1ncc2c1[C@@H](NCc1ccc(C(=O)[O-])c(Cl)c1)CCC2 ZINC001592158543 977037895 /nfs/dbraw/zinc/03/78/95/977037895.db2.gz RKKHUQUMZAPAGJ-INIZCTEOSA-N -1 3 347.846 3.983 20 0 EHADHM COCc1cccc(C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000078829058 1014366937 /nfs/dbraw/zinc/36/69/37/1014366937.db2.gz IIWVNBDSGDRJGS-UHFFFAOYSA-N -1 3 336.185 3.553 20 0 EHADHM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccccc1Cl ZINC000547631393 1014491371 /nfs/dbraw/zinc/49/13/71/1014491371.db2.gz WBGZSWZKVYWALU-UHFFFAOYSA-N -1 3 332.812 3.997 20 0 EHADHM CCC(CC)(CN[C@@H](C)c1ncc(Br)cc1F)C(=O)[O-] ZINC001595077529 979353619 /nfs/dbraw/zinc/35/36/19/979353619.db2.gz HISWRXKGTFAJCN-VIFPVBQESA-N -1 3 347.228 3.525 20 0 EHADHM C[C@H](c1ccco1)N(CCOc1ccc(/C=C\C(=O)[O-])cc1)C1CC1 ZINC000846241964 979419888 /nfs/dbraw/zinc/41/98/88/979419888.db2.gz LAPIXJWDSGZQDY-UJNBGNEJSA-N -1 3 341.407 3.982 20 0 EHADHM Cc1cc(Br)c(CN[C@@H]2CC=C(C(=O)[O-])C2)cc1Cl ZINC000853038055 979596074 /nfs/dbraw/zinc/59/60/74/979596074.db2.gz OKRSMWSTXISIKZ-LLVKDONJSA-N -1 3 344.636 3.674 20 0 EHADHM O=C([O-])/C=C\c1ccc(CN2CCC(c3ccc(F)cc3)CC2)o1 ZINC000901545035 980373243 /nfs/dbraw/zinc/37/32/43/980373243.db2.gz XUKPCAWMBVLPAX-FPLPWBNLSA-N -1 3 329.371 3.896 20 0 EHADHM O=C([O-])[C@@H](NC1CC(c2ccccc2F)C1)c1cc(F)ccc1F ZINC000901638621 980420150 /nfs/dbraw/zinc/42/01/50/980420150.db2.gz YFSFADUHTQCLKN-QHQKPKPBSA-N -1 3 335.325 3.765 20 0 EHADHM CC[C@H](NCc1cc(C(=O)[O-])ccc1Cl)[C@@H](O)c1ccccc1 ZINC001595299432 980427397 /nfs/dbraw/zinc/42/73/97/980427397.db2.gz TUVLDZFIRCUXNZ-IRXDYDNUSA-N -1 3 333.815 3.640 20 0 EHADHM CCC(O)(CC)CCN[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001595323770 980527362 /nfs/dbraw/zinc/52/73/62/980527362.db2.gz VUNHHDXAYPZZDE-ZDUSSCGKSA-N -1 3 334.243 3.650 20 0 EHADHM C[C@H](NCc1csc(C(C)(C)C)n1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000901871483 980583918 /nfs/dbraw/zinc/58/39/18/980583918.db2.gz MFKUHVIYOSQPQU-BBRMVZONSA-N -1 3 346.496 3.862 20 0 EHADHM Cc1cc(CN(CC(=O)[O-])C2CCCC2)c(Br)cc1F ZINC000902038528 980708537 /nfs/dbraw/zinc/70/85/37/980708537.db2.gz ICDBUAYDACCNTA-UHFFFAOYSA-N -1 3 344.224 3.726 20 0 EHADHM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1Cc1scnc1C1CC1 ZINC000902045815 980712230 /nfs/dbraw/zinc/71/22/30/980712230.db2.gz 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ZINC000426728818 1022997542 /nfs/dbraw/zinc/99/75/42/1022997542.db2.gz XSQINIUOSAURPG-INIZCTEOSA-N -1 3 342.782 3.509 20 0 EHADHM COc1ccc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c(Cl)c1 ZINC000426756210 1023027463 /nfs/dbraw/zinc/02/74/63/1023027463.db2.gz IRGVZUQZJQELHP-YVEFUNNKSA-N -1 3 333.815 3.900 20 0 EHADHM COc1ccccc1[C@@H](NCc1cccc(-c2cccnc2)c1)C(=O)[O-] ZINC000426783451 1023042359 /nfs/dbraw/zinc/04/23/59/1023042359.db2.gz LIENKFGUUHIVFX-HXUWFJFHSA-N -1 3 348.402 3.673 20 0 EHADHM O=C([O-])[C@@H](NCc1ccc(C(F)(F)F)cc1)c1cccc(F)c1 ZINC000426816021 1023062929 /nfs/dbraw/zinc/06/29/29/1023062929.db2.gz IMGYFXDZCZACDL-AWEZNQCLSA-N -1 3 327.277 3.760 20 0 EHADHM CC(=O)Nc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000426829289 1023072697 /nfs/dbraw/zinc/07/26/97/1023072697.db2.gz OOCAMMUSISVRPK-KRWDZBQOSA-N -1 3 346.814 3.604 20 0 EHADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)NCc1ncccc1[O-] ZINC000471930074 1023299133 /nfs/dbraw/zinc/29/91/33/1023299133.db2.gz NVIKKXSQABJTAY-INIZCTEOSA-N -1 3 327.428 3.682 20 0 EHADHM C[C@@H](NC(=O)c1c([O-])cccc1O)c1ccc(-c2cccnc2)cc1 ZINC000092123901 1023303910 /nfs/dbraw/zinc/30/39/10/1023303910.db2.gz PPIXCPKBEQSNHI-CYBMUJFWSA-N -1 3 334.375 3.651 20 0 EHADHM O=C([O-])C[C@@H](NCc1ccc(OCC2CC2)cc1)c1ccsc1 ZINC000276958113 1023477378 /nfs/dbraw/zinc/47/73/78/1023477378.db2.gz FNQAHEGQIVXTID-QGZVFWFLSA-N -1 3 331.437 3.843 20 0 EHADHM O=C([O-])C[C@H](NCc1ccc(OC(F)F)c(F)c1)c1ccsc1 ZINC000277000873 1023671314 /nfs/dbraw/zinc/67/13/14/1023671314.db2.gz LGHOEDWMPUKFRL-LBPRGKRZSA-N -1 3 345.342 3.794 20 0 EHADHM CC(C)(C)c1nnc([N-]c2ccc(F)c(C(=O)N3CCCCC3)c2)o1 ZINC001211867067 1023955312 /nfs/dbraw/zinc/95/53/12/1023955312.db2.gz WLVIEDYJUGITIW-UHFFFAOYSA-N -1 3 346.406 3.876 20 0 EHADHM Cc1ccc(Cc2nnc([N-]C(=O)c3ccoc3Cl)s2)cc1 ZINC000192308028 1023983047 /nfs/dbraw/zinc/98/30/47/1023983047.db2.gz RNYPTMCUTRNAPX-UHFFFAOYSA-N -1 3 333.800 3.936 20 0 EHADHM Cc1cc(Br)ccc1CN1CCCC[C@H]1CCC(=O)[O-] ZINC000395231954 1024070660 /nfs/dbraw/zinc/07/06/60/1024070660.db2.gz QAQSPJZWOKFAGH-HNNXBMFYSA-N -1 3 340.261 3.977 20 0 EHADHM CC(C)[C@@H](CC1CCCC1)C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000522565697 1024078254 /nfs/dbraw/zinc/07/82/54/1024078254.db2.gz MIQKDLVBMJPQLG-MRXNPFEDSA-N -1 3 326.444 3.685 20 0 EHADHM Cc1ccc(C(=O)N(CCc2ccccc2)Cc2cccnc2)c([O-])c1 ZINC000094091449 1024200852 /nfs/dbraw/zinc/20/08/52/1024200852.db2.gz UNJQABJRTIWNRQ-UHFFFAOYSA-N -1 3 346.430 3.981 20 0 EHADHM COC(=O)c1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)[n-]1 ZINC000431267407 1024216098 /nfs/dbraw/zinc/21/60/98/1024216098.db2.gz WSJXYWSSZDBIEF-UHFFFAOYSA-N -1 3 332.359 3.625 20 0 EHADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000520633086 1024298850 /nfs/dbraw/zinc/29/88/50/1024298850.db2.gz YCKLNVBADRCCOK-QWHCGFSZSA-N -1 3 337.345 3.806 20 0 EHADHM CC(C)(C)c1nnc([N-]C(=O)c2cc(Br)cs2)s1 ZINC000194924187 1024475459 /nfs/dbraw/zinc/47/54/59/1024475459.db2.gz UFUQDULGLOYSFB-UHFFFAOYSA-N -1 3 346.275 3.912 20 0 EHADHM C[C@@H]([N-]S(=O)(=O)c1ccccc1F)c1nc(C(C)(C)C)cs1 ZINC000106893125 1024527167 /nfs/dbraw/zinc/52/71/67/1024527167.db2.gz SSSWVSPKBJBPLF-SNVBAGLBSA-N -1 3 342.461 3.619 20 0 EHADHM CC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1[O-] ZINC000514805083 1024759271 /nfs/dbraw/zinc/75/92/71/1024759271.db2.gz KLOWPZHQZZHTAK-UONOGXRCSA-N -1 3 329.783 3.990 20 0 EHADHM Cc1nc(C(=O)[N-]c2nnc(SCc3ccccc3)s2)c(C)o1 ZINC000431329280 1024930155 /nfs/dbraw/zinc/93/01/55/1024930155.db2.gz BJYQUPJGKSTJHS-UHFFFAOYSA-N -1 3 346.437 3.688 20 0 EHADHM COC(C)(C)CS(=O)(=O)[N-]c1ccc2oc3ccccc3c2c1 ZINC000515001245 1024955498 /nfs/dbraw/zinc/95/54/98/1024955498.db2.gz VLBMKIONPIVOMP-UHFFFAOYSA-N -1 3 333.409 3.753 20 0 EHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1C ZINC000435730842 1025099070 /nfs/dbraw/zinc/09/90/70/1025099070.db2.gz IGRWYJHEFNCLPG-UHFFFAOYSA-N -1 3 331.437 3.602 20 0 EHADHM C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000366890409 1025111535 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O=C(NCCc1cccc2ccccc21)c1c[n-]c2ccccc2c1=O ZINC000042073225 1025556027 /nfs/dbraw/zinc/55/60/27/1025556027.db2.gz ADMNHBORHUEKMU-UHFFFAOYSA-N -1 3 342.398 3.654 20 0 EHADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCCc2cc(Cl)ccc21 ZINC001270080577 1025617132 /nfs/dbraw/zinc/61/71/32/1025617132.db2.gz ZCHIZBAMAFIPAW-UHFFFAOYSA-N -1 3 338.794 3.775 20 0 EHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC(c2ncccc2Cl)CC1 ZINC000451183156 1025650682 /nfs/dbraw/zinc/65/06/82/1025650682.db2.gz JYTZCWSWCNMBBB-UHFFFAOYSA-N -1 3 348.805 3.528 20 0 EHADHM Cc1ccc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c([O-])c1 ZINC000436522880 1025822994 /nfs/dbraw/zinc/82/29/94/1025822994.db2.gz XYZJRERUMUSSOU-INIZCTEOSA-N -1 3 327.380 3.511 20 0 EHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](c2ccc(F)cc2)C(C)C)c1 ZINC000436516293 1025849233 /nfs/dbraw/zinc/84/92/33/1025849233.db2.gz YPPXLTJHIODAKM-SFHVURJKSA-N -1 3 344.386 3.617 20 0 EHADHM CCc1ccc([C@H]2CN(C(=O)c3ccc(CC)cc3[O-])CCO2)cc1 ZINC000436556818 1025862469 /nfs/dbraw/zinc/86/24/69/1025862469.db2.gz MFABVFJYVISFON-HXUWFJFHSA-N -1 3 339.435 3.731 20 0 EHADHM CCCN(C(=O)c1ccc(OC)cc1[O-])[C@@H]1CCc2ccccc21 ZINC000436538700 1025866235 /nfs/dbraw/zinc/86/62/35/1025866235.db2.gz JBYBFYJQMQZRDE-GOSISDBHSA-N -1 3 325.408 3.941 20 0 EHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(-c2ccccc2)cc1 ZINC000892253919 1025872417 /nfs/dbraw/zinc/87/24/17/1025872417.db2.gz HZLCHYNTFSBECT-UHFFFAOYSA-N -1 3 330.347 3.984 20 0 EHADHM Cc1ccc(-c2nc(NC(=O)c3cc(C4CC4)oc3C3CC3)n[n-]2)o1 ZINC000896696441 1025892150 /nfs/dbraw/zinc/89/21/50/1025892150.db2.gz JKNQMPXXTQCAMM-UHFFFAOYSA-N -1 3 338.367 3.973 20 0 EHADHM C[C@H](Cc1ccncc1)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436574700 1025907583 /nfs/dbraw/zinc/90/75/83/1025907583.db2.gz LMCRMHXMMKXPKK-MRXNPFEDSA-N -1 3 346.430 3.739 20 0 EHADHM C[C@@H]1N(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CCOC1(C)C ZINC000436595525 1025913069 /nfs/dbraw/zinc/91/30/69/1025913069.db2.gz IVHWPDRGTAITJL-HNNXBMFYSA-N -1 3 339.435 3.623 20 0 EHADHM C[C@@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])[C@@H]1CCCOC1 ZINC000436579450 1025919179 /nfs/dbraw/zinc/91/91/79/1025919179.db2.gz UYIUCYVHHXMAJN-HUUCEWRRSA-N -1 3 341.407 3.729 20 0 EHADHM C[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CCOCC1 ZINC000436579326 1025919200 /nfs/dbraw/zinc/91/92/00/1025919200.db2.gz UIYOYYVPXMLBFS-OAHLLOKOSA-N -1 3 339.435 3.528 20 0 EHADHM CC(=O)c1ccc(C(=O)N[C@H](C)c2cccc(OC(F)F)c2)cc1[O-] ZINC000436578793 1025919317 /nfs/dbraw/zinc/91/93/17/1025919317.db2.gz SLAGNYKAKWSVBY-SNVBAGLBSA-N -1 3 349.333 3.687 20 0 EHADHM COc1ccc(C(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2F)c([O-])c1 ZINC000436578940 1025920256 /nfs/dbraw/zinc/92/02/56/1025920256.db2.gz XUDNKRFTGVDZKS-YVEFUNNKSA-N -1 3 329.371 3.763 20 0 EHADHM Cc1nccn1-c1ccc([C@H](C)NC(=O)c2ccc(C)cc2[O-])cc1 ZINC000436581107 1025922437 /nfs/dbraw/zinc/92/24/37/1025922437.db2.gz DMGGKKUFHOQOAY-AWEZNQCLSA-N -1 3 335.407 3.686 20 0 EHADHM Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)c1[O-] ZINC000436584359 1025925287 /nfs/dbraw/zinc/92/52/87/1025925287.db2.gz LVGNMZOMOGREJV-UHFFFAOYSA-N -1 3 347.374 3.600 20 0 EHADHM CC(C)c1cccnc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436605729 1025937748 /nfs/dbraw/zinc/93/77/48/1025937748.db2.gz PXWZMRTXMOBQMU-UHFFFAOYSA-N -1 3 326.396 3.876 20 0 EHADHM CC(C)CN1Cc2cccc(NC(=O)c3cc(F)ccc3[O-])c2C1 ZINC000436608312 1025940928 /nfs/dbraw/zinc/94/09/28/1025940928.db2.gz UGZWKMQBBJHUOE-UHFFFAOYSA-N -1 3 328.387 3.755 20 0 EHADHM O=C(NC1CCSCC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436627787 1025955149 /nfs/dbraw/zinc/95/51/49/1025955149.db2.gz YFHATTKTRGCTSP-UHFFFAOYSA-N -1 3 327.449 3.608 20 0 EHADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000436631250 1025960614 /nfs/dbraw/zinc/96/06/14/1025960614.db2.gz TWYINTLAFIHGTQ-NSHDSACASA-N -1 3 345.370 3.517 20 0 EHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCCSCC1 ZINC000436620104 1025973099 /nfs/dbraw/zinc/97/30/99/1025973099.db2.gz ZNCYDPNFIICCRH-UHFFFAOYSA-N -1 3 341.476 3.757 20 0 EHADHM CC(C)c1ccc(C(=O)NCCc2ccn(-c3ccccc3)n2)c([O-])c1 ZINC000436622537 1025974849 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CC(C)c1ccc(C(=O)NCc2ccn(-c3ccccc3)n2)c([O-])c1 ZINC000436685262 1026039407 /nfs/dbraw/zinc/03/94/07/1026039407.db2.gz LGQOQIBDQFLILU-UHFFFAOYSA-N -1 3 335.407 3.631 20 0 EHADHM CC(C)c1ccc(C(=O)N[C@H](C)c2ccc([S@](C)=O)cc2)c([O-])c1 ZINC000436688184 1026046154 /nfs/dbraw/zinc/04/61/54/1026046154.db2.gz NVBFRZXWXFZURL-OZAJXLCCSA-N -1 3 345.464 3.744 20 0 EHADHM COc1cnc2ccccc2c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000436703228 1026066468 /nfs/dbraw/zinc/06/64/68/1026066468.db2.gz LDADVVFAHNZJEI-UHFFFAOYSA-N -1 3 328.755 3.855 20 0 EHADHM C[C@@H]1C[C@@H](CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])CCO1 ZINC000436724951 1026099914 /nfs/dbraw/zinc/09/99/14/1026099914.db2.gz SZTNEFCFIDCFIA-CABCVRRESA-N -1 3 341.407 3.729 20 0 EHADHM O=C(NCc1cc2cc(Br)ccc2[nH]1)c1ccccc1[O-] ZINC000436743714 1026114979 /nfs/dbraw/zinc/11/49/79/1026114979.db2.gz ZMIQRKCKYOOSTE-UHFFFAOYSA-N -1 3 345.196 3.566 20 0 EHADHM COCCN(CCc1ccccc1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436759624 1026130577 /nfs/dbraw/zinc/13/05/77/1026130577.db2.gz CVMWYZXWXXSYFM-UHFFFAOYSA-N -1 3 341.451 3.847 20 0 EHADHM CC[C@H](c1ccccc1OC)N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000451781289 1026282746 /nfs/dbraw/zinc/28/27/46/1026282746.db2.gz IMLVXUPUEWHKRT-MRXNPFEDSA-N -1 3 331.387 3.692 20 0 EHADHM O=S(=O)([N-]C[C@H]1CCCC1(F)F)c1ccc(Cl)cc1Cl ZINC000451829275 1026312825 /nfs/dbraw/zinc/31/28/25/1026312825.db2.gz XMFRLEFWDLDBHB-MRVPVSSYSA-N -1 3 344.210 3.707 20 0 EHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000452189311 1026555458 /nfs/dbraw/zinc/55/54/58/1026555458.db2.gz UKJAFHXFIGYAAR-INIZCTEOSA-N -1 3 335.325 3.546 20 0 EHADHM CC(C)c1ccc(C(=O)N2CCCC[C@@H]2c2ccnn2C)c([O-])c1 ZINC000282002106 1026645600 /nfs/dbraw/zinc/64/56/00/1026645600.db2.gz KEDJFMMCDAHLRJ-QGZVFWFLSA-N -1 3 327.428 3.617 20 0 EHADHM O=C(NC1(c2cccc(F)c2)CCOCC1)c1cc([O-])ccc1Cl ZINC000277716752 1026662764 /nfs/dbraw/zinc/66/27/64/1026662764.db2.gz PFWRZKRHGHVQSA-UHFFFAOYSA-N -1 3 349.789 3.620 20 0 EHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3cccs3)nc2)n1 ZINC000301192673 1026717602 /nfs/dbraw/zinc/71/76/02/1026717602.db2.gz XHWKKHZLZUESCG-UHFFFAOYSA-N -1 3 326.425 3.523 20 0 EHADHM Cc1nc(-c2ccc(N(C)Cc3ccccc3F)nc2)[n-]c(=O)c1C ZINC000301378395 1026781992 /nfs/dbraw/zinc/78/19/92/1026781992.db2.gz XLHGGGJZPBMXPL-UHFFFAOYSA-N -1 3 338.386 3.637 20 0 EHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccccc1OCCF ZINC000452781383 1027005193 /nfs/dbraw/zinc/00/51/93/1027005193.db2.gz WINONXOAUREYRJ-UHFFFAOYSA-N -1 3 335.350 3.841 20 0 EHADHM COc1ccccc1[C@@H]([N-]c1noc(C(C)(C)C)n1)c1ccccn1 ZINC000302131718 1027064435 /nfs/dbraw/zinc/06/44/35/1027064435.db2.gz KLDSAHBYXZLEGK-MRXNPFEDSA-N -1 3 338.411 3.972 20 0 EHADHM O=c1[n-]c(CN2CCC[C@@H]2c2ccccn2)nc2c3ccccc3oc21 ZINC000532650733 1027211498 /nfs/dbraw/zinc/21/14/98/1027211498.db2.gz IOJJLOLXSCDSEO-OAHLLOKOSA-N -1 3 346.390 3.814 20 0 EHADHM CCCCCC[C@](C)(CCC)C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000273232740 1027325907 /nfs/dbraw/zinc/32/59/07/1027325907.db2.gz MTQSZCOXEIPLRW-IBGZPJMESA-N -1 3 333.476 3.844 20 0 EHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc2c(ccc3ccccc23)[nH]1 ZINC000128096050 1027395416 /nfs/dbraw/zinc/39/54/16/1027395416.db2.gz IOITWFIMTSKZQW-UHFFFAOYSA-N -1 3 345.284 3.710 20 0 EHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc2c(ccc3ccccc23)[nH]1 ZINC000128096050 1027395433 /nfs/dbraw/zinc/39/54/33/1027395433.db2.gz IOITWFIMTSKZQW-UHFFFAOYSA-N -1 3 345.284 3.710 20 0 EHADHM CC[C@H](C)Oc1cc(-c2noc(Cc3ccc([O-])c(F)c3)n2)ccn1 ZINC000453142138 1027449327 /nfs/dbraw/zinc/44/93/27/1027449327.db2.gz RMOKVOIYSOIQNB-NSHDSACASA-N -1 3 343.358 3.744 20 0 EHADHM Cc1cc(=O)[n-]c([C@H](C)N(C)Cc2cc(Cl)cc(Cl)c2)n1 ZINC000582765293 1027619354 /nfs/dbraw/zinc/61/93/54/1027619354.db2.gz DEGMQDYXBXOEHP-JTQLQIEISA-N -1 3 326.227 3.990 20 0 EHADHM Cc1ncsc1CN(C)Cc1cccc([O-])c1Br ZINC000459341716 1027736106 /nfs/dbraw/zinc/73/61/06/1027736106.db2.gz QWVCSNOYLOWYIZ-UHFFFAOYSA-N -1 3 327.247 3.552 20 0 EHADHM CC[C@H](C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1)c1ccc(F)cc1 ZINC000131449725 1027780223 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CC[C@H](CS(=O)(=O)[N-]c1ccccc1COC(C)(C)CC)OC ZINC000421161887 1028141414 /nfs/dbraw/zinc/14/14/14/1028141414.db2.gz YHBVQBLMYRDVOL-OAHLLOKOSA-N -1 3 343.489 3.559 20 0 EHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000614841178 1028160596 /nfs/dbraw/zinc/16/05/96/1028160596.db2.gz ZOQOXMJPRQQOSX-UHFFFAOYSA-N -1 3 325.817 3.848 20 0 EHADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)Cc2ccccc2C(F)(F)F)o1 ZINC000503859138 1028172503 /nfs/dbraw/zinc/17/25/03/1028172503.db2.gz UHIGXIPYLRAURO-SNVBAGLBSA-N -1 3 347.358 3.516 20 0 EHADHM CCOC(=O)c1cc([N-]C(=O)c2sccc2F)c(F)cc1C ZINC000353391913 1028276167 /nfs/dbraw/zinc/27/61/67/1028276167.db2.gz FKEIZDZXDSZJBG-UHFFFAOYSA-N -1 3 325.336 3.764 20 0 EHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@H](C)CC(C)C)cc2)n1 ZINC000067912730 1028380571 /nfs/dbraw/zinc/38/05/71/1028380571.db2.gz QBXURIQQTHHKJL-CYBMUJFWSA-N -1 3 327.428 3.756 20 0 EHADHM COc1cc(C(=O)Nc2cc(Cl)ccc2[O-])ccc1OC(F)F ZINC000069693315 1028437857 /nfs/dbraw/zinc/43/78/57/1028437857.db2.gz 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CPNPEUVMZWRJGF-UHFFFAOYSA-N -1 3 345.358 3.744 20 0 EHADHM C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000066050161 1029984207 /nfs/dbraw/zinc/98/42/07/1029984207.db2.gz GEJLYOUSUIGMSS-QMMMGPOBSA-N -1 3 327.714 3.730 20 0 EHADHM Nc1ccc(C(=O)Nc2ccc(NC3CCCCC3)cc2)c([O-])c1 ZINC000828045526 1030011660 /nfs/dbraw/zinc/01/16/60/1030011660.db2.gz RAXSBSPLWVGXPG-UHFFFAOYSA-N -1 3 325.412 3.971 20 0 EHADHM CC(C)c1ccc(C(=O)N2CCN(c3ccccc3F)CC2)c([O-])c1 ZINC000059368397 1030253273 /nfs/dbraw/zinc/25/32/73/1030253273.db2.gz JTURFRXELOYMFD-UHFFFAOYSA-N -1 3 342.414 3.617 20 0 EHADHM [O-]c1cc(F)cc(CN2CCO[C@@H](c3ccc(F)cc3Cl)C2)c1 ZINC000482306685 1030322388 /nfs/dbraw/zinc/32/23/88/1030322388.db2.gz KHXUGNCSNPLFAI-QGZVFWFLSA-N -1 3 339.769 3.897 20 0 EHADHM O=C(c1c([O-])cccc1O)N1C[C@H](c2ccccc2)c2ccccc21 ZINC000447576261 1030339569 /nfs/dbraw/zinc/33/95/69/1030339569.db2.gz XLYLBHUJJWAGJA-MRXNPFEDSA-N -1 3 331.371 3.890 20 0 EHADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(=Cc3ccccc3F)CC2)n1 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[O-]c1cc(F)cc(CNc2cccc(I)c2)c1 ZINC000223086399 1120627300 /nfs/dbraw/zinc/62/73/00/1120627300.db2.gz HJHNXZRMVVLRKS-UHFFFAOYSA-N -1 3 343.139 3.748 20 0 EHADHM Cc1cc(C(F)(F)F)nc([N-][C@H](c2ccccn2)C(F)(F)F)n1 ZINC001168476951 1120948879 /nfs/dbraw/zinc/94/88/79/1120948879.db2.gz HEJWCIITMANUNQ-SNVBAGLBSA-N -1 3 336.239 3.914 20 0 EHADHM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(C#N)[nH]3)n2)cc1 ZINC000153345622 1120976735 /nfs/dbraw/zinc/97/67/35/1120976735.db2.gz BQOKKYYHUQGDMT-CQSZACIVSA-N -1 3 348.387 3.509 20 0 EHADHM CC(C)c1ccc(-c2nc(-c3ccnc(-n4ccnc4)c3)no2)c([O-])c1 ZINC000762052911 1121074979 /nfs/dbraw/zinc/07/49/79/1121074979.db2.gz HIXHFJBKMXLMMS-UHFFFAOYSA-N -1 3 347.378 3.813 20 0 EHADHM C[C@@H]1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C[C@@H]1c1ccccc1 ZINC000915040337 1121130093 /nfs/dbraw/zinc/13/00/93/1121130093.db2.gz BLWQTLSRGPVMFE-QAPCUYQASA-N -1 3 346.430 3.794 20 0 EHADHM CCOC[C@H]1CCCCN1Cc1cccc([O-])c1Br ZINC000315712410 1121514640 /nfs/dbraw/zinc/51/46/40/1121514640.db2.gz 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ZINC000126445099 1122406077 /nfs/dbraw/zinc/40/60/77/1122406077.db2.gz HWEROOBOHUEEBX-UHFFFAOYSA-N -1 3 341.379 3.898 20 0 EHADHM COCCn1cc(C(=O)Nc2cc(Cl)ccc2[O-])c2ccccc21 ZINC000066050153 1122454160 /nfs/dbraw/zinc/45/41/60/1122454160.db2.gz YGOZYFJCNZJFLX-UHFFFAOYSA-N -1 3 344.798 3.899 20 0 EHADHM O=C(NCC1(Cc2ccc(F)cc2)CC1)c1cc([O-])ccc1Cl ZINC000497356904 1122501292 /nfs/dbraw/zinc/50/12/92/1122501292.db2.gz GZTOLTBXCWVKBL-UHFFFAOYSA-N -1 3 333.790 3.937 20 0 EHADHM C[C@H]1CCc2ccccc2N1CCC(=O)Nc1cccc([O-])c1F ZINC000128367471 1122575817 /nfs/dbraw/zinc/57/58/17/1122575817.db2.gz ZVWSTOSBQFLVTC-ZDUSSCGKSA-N -1 3 328.387 3.701 20 0 EHADHM Cc1c(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cnn1CC(C)C ZINC000128382232 1122580659 /nfs/dbraw/zinc/58/06/59/1122580659.db2.gz ZIQOXVHDOZPABE-UHFFFAOYSA-N -1 3 341.333 3.824 20 0 EHADHM CC(C)(NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000497784970 1122666400 /nfs/dbraw/zinc/66/64/00/1122666400.db2.gz AODSRGDQTBXAMT-UHFFFAOYSA-N -1 3 336.794 3.919 20 0 EHADHM Cc1ccc(CC(=O)[N-]OCc2ncc(-c3ccccc3F)o2)cc1 ZINC000154531283 1122687894 /nfs/dbraw/zinc/68/78/94/1122687894.db2.gz NGJWXAFCWGZLBN-UHFFFAOYSA-N -1 3 340.354 3.580 20 0 EHADHM [O-]c1c(F)cc(F)cc1Nc1ncc(Br)nc1Cl ZINC001212479865 1129082729 /nfs/dbraw/zinc/08/27/29/1129082729.db2.gz WKKIMFFAKJHJNF-UHFFFAOYSA-N -1 3 336.523 3.620 20 0 EHADHM Cc1sc([N-]C(=O)c2cccc[n+]2[O-])nc1-c1cccc(Cl)c1 ZINC000918629856 1122868682 /nfs/dbraw/zinc/86/86/82/1122868682.db2.gz XIQDVFXNQIHCBB-UHFFFAOYSA-N -1 3 345.811 3.658 20 0 EHADHM CN1CCCc2cc(COC(=O)c3cccc(Cl)c3[O-])ccc21 ZINC001127471516 1123002065 /nfs/dbraw/zinc/00/20/65/1123002065.db2.gz FZOKVEDVZPUEDW-UHFFFAOYSA-N -1 3 331.799 3.785 20 0 EHADHM CC[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(C)c(F)c1 ZINC001127512423 1123101131 /nfs/dbraw/zinc/10/11/31/1123101131.db2.gz OMYISBFPIBSACB-QGZVFWFLSA-N -1 3 338.382 3.857 20 0 EHADHM COc1cc(C(=O)NCC(C)(C)C2CCCCC2)cc(OC)c1[O-] ZINC000499093459 1123207112 /nfs/dbraw/zinc/20/71/12/1123207112.db2.gz AUSQDMGTJZFMNK-UHFFFAOYSA-N -1 3 335.444 3.746 20 0 EHADHM O=C(NCc1ccc([O-])c(F)c1)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000133146832 1123351624 /nfs/dbraw/zinc/35/16/24/1123351624.db2.gz WHHMJHQGOFBWQT-UHFFFAOYSA-N -1 3 345.761 3.505 20 0 EHADHM O=C([N-]Cc1ccc(Cl)nc1)C(F)(F)c1cccc(Cl)c1 ZINC000921004476 1123454620 /nfs/dbraw/zinc/45/46/20/1123454620.db2.gz IBYMLFXBCOSHLN-UHFFFAOYSA-N -1 3 331.149 3.797 20 0 EHADHM O=C(Cc1cccc(F)c1F)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134224896 1123504606 /nfs/dbraw/zinc/50/46/06/1123504606.db2.gz FJHOEFQDAYUOGE-UHFFFAOYSA-N -1 3 331.240 3.870 20 0 EHADHM COc1cccc(C(=O)Nc2ccc(F)c(Br)c2)c1[O-] ZINC000135391343 1123607745 /nfs/dbraw/zinc/60/77/45/1123607745.db2.gz NPOSVBAGKVTIBT-UHFFFAOYSA-N -1 3 340.148 3.555 20 0 EHADHM CN(Cc1cnn(-c2ccccc2)c1)Cc1cccc(Cl)c1[O-] ZINC000179618003 1123809990 /nfs/dbraw/zinc/80/99/90/1123809990.db2.gz VMQPGADOMHXOEA-UHFFFAOYSA-N -1 3 327.815 3.863 20 0 EHADHM Clc1ccc(C[C@H](N=c2ncnc3[nH][n-]cc2-3)c2ccccc2)cc1 ZINC000616004659 1123922166 /nfs/dbraw/zinc/92/21/66/1123922166.db2.gz TYOSARLBZZXFBL-KRWDZBQOSA-N -1 3 349.825 3.776 20 0 EHADHM CCC[C@@H](C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccc(Cl)cc1 ZINC000616825376 1124041301 /nfs/dbraw/zinc/04/13/01/1124041301.db2.gz XCNPUEUBEUGRCY-ZBFHGGJFSA-N -1 3 347.846 3.859 20 0 EHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)C1(c2cccs2)CCCCC1 ZINC000616826233 1124041573 /nfs/dbraw/zinc/04/15/73/1124041573.db2.gz JRPCQXCTHCLZQP-AWEZNQCLSA-N -1 3 345.468 3.585 20 0 EHADHM C=CCCC[C@H](C)NC(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000181113380 1124527425 /nfs/dbraw/zinc/52/74/25/1124527425.db2.gz OFNNTAFHNQEENB-JTQLQIEISA-N -1 3 344.242 3.682 20 0 EHADHM Cc1c([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cccc1N(C)C ZINC000181157239 1124608654 /nfs/dbraw/zinc/60/86/54/1124608654.db2.gz VCZVDVWZFXAUBO-UHFFFAOYSA-N -1 3 348.468 3.649 20 0 EHADHM O=C([N-][C@@H]1C[C@H]1c1c(F)cccc1F)C(F)(F)c1ccc(F)cc1 ZINC000734788031 1131280466 /nfs/dbraw/zinc/28/04/66/1131280466.db2.gz LDWKJMDTJSIPBG-BXUZGUMPSA-N -1 3 341.279 3.868 20 0 EHADHM Cc1nc(-c2ccccc2)oc1C([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000181414987 1124818172 /nfs/dbraw/zinc/81/81/72/1124818172.db2.gz AQNBPSOABKOVJQ-MRXNPFEDSA-N -1 3 345.358 3.611 20 0 EHADHM COc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c(C)c1 ZINC000091016466 1124949944 /nfs/dbraw/zinc/94/99/44/1124949944.db2.gz SKFRJNOPIFSVRP-UHFFFAOYSA-N -1 3 335.425 3.592 20 0 EHADHM CCOC(=O)c1ncc(NC(=O)C[C@H]2C[C@H](C)c3c2cccc3C)[n-]1 ZINC000619449182 1125347915 /nfs/dbraw/zinc/34/79/15/1125347915.db2.gz VZGAUDBYJCRKEC-QWHCGFSZSA-N -1 3 341.411 3.514 20 0 EHADHM CCOC(=O)c1nc(NC(=O)C[C@H]2C[C@H](C)c3c2cccc3C)c[n-]1 ZINC000619449182 1125347916 /nfs/dbraw/zinc/34/79/16/1125347916.db2.gz VZGAUDBYJCRKEC-QWHCGFSZSA-N -1 3 341.411 3.514 20 0 EHADHM CCCC[C@H](CC)CC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000117235261 1129426117 /nfs/dbraw/zinc/42/61/17/1129426117.db2.gz HAKMIXQUBPGCDK-ZDUSSCGKSA-N -1 3 326.462 3.603 20 0 EHADHM O=S(=O)([N-][C@@H]1CCCc2sccc21)c1ccc(Cl)s1 ZINC000466535150 1129519111 /nfs/dbraw/zinc/51/91/11/1129519111.db2.gz XAXZELRDRBJREK-SECBINFHSA-N -1 3 333.887 3.819 20 0 EHADHM C[C@@H]1Cc2cc(CNCc3cccc([O-])c3Br)ccc2O1 ZINC000922702328 1129637240 /nfs/dbraw/zinc/63/72/40/1129637240.db2.gz YHCVNBVZRTYGFS-LLVKDONJSA-N -1 3 348.240 3.768 20 0 EHADHM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(O)c1[O-] ZINC000186755971 1129803197 /nfs/dbraw/zinc/80/31/97/1129803197.db2.gz KVOQOKNTGVRTFG-UHFFFAOYSA-N -1 3 326.179 3.677 20 0 EHADHM CSc1cccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C)c1 ZINC000509202172 1129962613 /nfs/dbraw/zinc/96/26/13/1129962613.db2.gz HZANNVTUIMLKHK-UHFFFAOYSA-N -1 3 336.482 3.584 20 0 EHADHM COc1cc(C(=O)N[C@H]2CCC[C@H](C(C)C)CC2)cc(OC)c1[O-] ZINC000470597659 1130319788 /nfs/dbraw/zinc/31/97/88/1130319788.db2.gz FXOYKAVHLDWUEM-ZFWWWQNUSA-N -1 3 335.444 3.744 20 0 EHADHM O=c1nc(CN2C[C@H]3CCC[C@H]32)[n-]c2scc(-c3ccco3)c21 ZINC000675497936 1130416016 /nfs/dbraw/zinc/41/60/16/1130416016.db2.gz KBRSPQYDKNVXED-ZYHUDNBSSA-N -1 3 327.409 3.641 20 0 EHADHM CC(=O)c1cc(F)cc(F)c1OCc1noc(-c2ccccc2[O-])n1 ZINC000731567057 1130812810 /nfs/dbraw/zinc/81/28/10/1130812810.db2.gz YMILGQFDUXBEII-UHFFFAOYSA-N -1 3 346.289 3.502 20 0 EHADHM CC(C)[C@@H](CNC(=O)c1nnc2ccccc2c1[O-])c1ccccc1 ZINC000731869617 1130856584 /nfs/dbraw/zinc/85/65/84/1130856584.db2.gz UCGDXTODSNLYID-MRXNPFEDSA-N -1 3 335.407 3.505 20 0 EHADHM Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1nnc2ccccc2c1[O-] ZINC000731896376 1130858089 /nfs/dbraw/zinc/85/80/89/1130858089.db2.gz HQIACIUXWLGEEL-GFCCVEGCSA-N -1 3 347.374 3.881 20 0 EHADHM C[C@H](OC(=O)c1cncc([O-])c1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000732391826 1130921000 /nfs/dbraw/zinc/92/10/00/1130921000.db2.gz NRZCYIKNMYWSPC-LBPRGKRZSA-N -1 3 327.380 3.513 20 0 EHADHM Cc1ccc([O-])c(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)c1 ZINC000732943808 1130975269 /nfs/dbraw/zinc/97/52/69/1130975269.db2.gz FGTNXGVKDAFIOG-UHFFFAOYSA-N -1 3 329.356 3.611 20 0 EHADHM COC(=O)[C@@H](OC(=O)c1cc2ccsc2[n-]1)c1cccc(Cl)c1 ZINC000733815634 1131081787 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EHADHM CC[C@@H](C)[C@@H](C)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000339102661 1137493488 /nfs/dbraw/zinc/49/34/88/1137493488.db2.gz QRLDRJJSXALACN-VXGBXAGGSA-N -1 3 328.416 3.714 20 0 EHADHM O=C(NC[C@@H]1CCC12CCOCC2)c1cc2sccc2c([O-])c1 ZINC000871585591 1137547442 /nfs/dbraw/zinc/54/74/42/1137547442.db2.gz PVWNOZBDKKTRNU-ZDUSSCGKSA-N -1 3 331.437 3.544 20 0 EHADHM O=C([O-])CC[C@@H]1CCCN(Cc2ccc(Sc3ccccn3)o2)C1 ZINC000871622005 1137549617 /nfs/dbraw/zinc/54/96/17/1137549617.db2.gz WGJHLXANYVNRDL-AWEZNQCLSA-N -1 3 346.452 3.903 20 0 EHADHM COc1ccc(C2CC2)c(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000871866483 1137561378 /nfs/dbraw/zinc/56/13/78/1137561378.db2.gz ZXAOINMBAMFHDR-UHFFFAOYSA-N -1 3 339.317 3.699 20 0 EHADHM Cc1cc(N[C@@H](C)c2cccc([O-])c2F)ccc1N1CCOCC1 ZINC000872059272 1137568801 /nfs/dbraw/zinc/56/88/01/1137568801.db2.gz CIZLGTJWQGSUPN-AWEZNQCLSA-N -1 3 330.403 3.849 20 0 EHADHM CN(Cc1nnc(-c2ccccc2[O-])o1)[C@@H]1CCCc2ccccc21 ZINC000877902479 1137694851 /nfs/dbraw/zinc/69/48/51/1137694851.db2.gz BAZUVOWWRUMHMD-QGZVFWFLSA-N -1 3 335.407 3.952 20 0 EHADHM CN(CC[C@@H]1CCCC1(F)F)Cc1nc(=O)c2sccc2[n-]1 ZINC000878443881 1137716213 /nfs/dbraw/zinc/71/62/13/1137716213.db2.gz UOCDFWARXKXIKP-JTQLQIEISA-N -1 3 327.400 3.654 20 0 EHADHM C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000879359293 1137745318 /nfs/dbraw/zinc/74/53/18/1137745318.db2.gz RFEJBBZCUOTHEA-WPPNPWJKSA-N -1 3 340.210 3.727 20 0 EHADHM CC1(c2cc([N-]C(=O)c3coc(-c4ccccn4)n3)no2)CCCC1 ZINC000879810002 1137759438 /nfs/dbraw/zinc/75/94/38/1137759438.db2.gz QEXBSPDTSPFULP-UHFFFAOYSA-N -1 3 338.367 3.809 20 0 EHADHM COc1ccc2c(c1)CC[C@@H](C(=O)Nc1c([O-])cccc1Cl)C2 ZINC000880123816 1137768701 /nfs/dbraw/zinc/76/87/01/1137768701.db2.gz YUAKRTKMFHBARA-CYBMUJFWSA-N -1 3 331.799 3.798 20 0 EHADHM CC1(C)C[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)CCS1 ZINC000888800525 1137768762 /nfs/dbraw/zinc/76/87/62/1137768762.db2.gz JLQDPQPSNZPKLH-ZDUSSCGKSA-N -1 3 325.449 3.644 20 0 EHADHM COc1cc(/C=C2\C(=O)Oc3ccccc32)cc(Br)c1[O-] ZINC000128924177 1137805512 /nfs/dbraw/zinc/80/55/12/1137805512.db2.gz GGINUDHKYZQLSV-WDZFZDKYSA-N -1 3 347.164 3.623 20 0 EHADHM CC(C)(CNC(=O)c1cc([O-])cc(Br)c1)CC(F)F ZINC000881537806 1137809514 /nfs/dbraw/zinc/80/95/14/1137809514.db2.gz GJDMUODNRRRXCR-UHFFFAOYSA-N -1 3 336.176 3.566 20 0 EHADHM O=C(CSc1nc2ccccc2s1)NCc1ccc([O-])c(F)c1 ZINC000133206623 1137881267 /nfs/dbraw/zinc/88/12/67/1137881267.db2.gz ASSNBWGRSOJSCV-UHFFFAOYSA-N -1 3 348.424 3.550 20 0 EHADHM C[C@@](O)(CNC(=O)c1cc([O-])c2ccccc2c1)C1CCCCC1 ZINC000332048251 1137929910 /nfs/dbraw/zinc/92/99/10/1137929910.db2.gz SPRCXMJQXLSPDV-HXUWFJFHSA-N -1 3 327.424 3.607 20 0 EHADHM CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000332596332 1137948349 /nfs/dbraw/zinc/94/83/49/1137948349.db2.gz HUYDJPDNFDGWSP-OAHLLOKOSA-N -1 3 329.421 3.806 20 0 EHADHM Cc1ccc(C(=O)N2CCC[C@H]2CC(=O)c2cccs2)c([O-])c1 ZINC000092422971 1138227891 /nfs/dbraw/zinc/22/78/91/1138227891.db2.gz NKRXVYTZJUZLKA-ZDUSSCGKSA-N -1 3 329.421 3.640 20 0 EHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2C2CCCCC2)c1 ZINC000121896008 1138252111 /nfs/dbraw/zinc/25/21/11/1138252111.db2.gz YRRBGMPUWQHYIF-KRWDZBQOSA-N -1 3 330.428 3.536 20 0 EHADHM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)Nc2n[n-]c(-c3ccco3)n2)o1 ZINC000337397221 1138556172 /nfs/dbraw/zinc/55/61/72/1138556172.db2.gz NRJLKMPULISVTB-WRWGMCAJSA-N -1 3 338.367 3.523 20 0 EHADHM CCS[C@H]1CCCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000264814319 1138646824 /nfs/dbraw/zinc/64/68/24/1138646824.db2.gz FFSUEQXMYGDNQR-ZDUSSCGKSA-N -1 3 330.453 3.688 20 0 EHADHM O=S(=O)([N-][C@H]1CCOC2(CCCCC2)C1)c1ccc(Cl)s1 ZINC000134664976 1138699813 /nfs/dbraw/zinc/69/98/13/1138699813.db2.gz IYQJIANVXFPJAS-NSHDSACASA-N -1 3 349.905 3.562 20 0 EHADHM CCn1c(S[C@H](C)c2nc(C)cc(=O)[n-]2)nnc1-c1ccccc1 ZINC000134904858 1138712079 /nfs/dbraw/zinc/71/20/79/1138712079.db2.gz VVOIICJKHXISLZ-GFCCVEGCSA-N -1 3 341.440 3.622 20 0 EHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(Cl)c2ncccc12 ZINC000338179941 1138777022 /nfs/dbraw/zinc/77/70/22/1138777022.db2.gz UNDSKFUFRQYSGW-UHFFFAOYSA-N -1 3 339.742 3.519 20 0 EHADHM O=C(NCc1ccc([O-])c(F)c1)c1ccccc1Oc1ccncc1 ZINC000338220372 1138792014 /nfs/dbraw/zinc/79/20/14/1138792014.db2.gz JTUWVHNCJHNRKG-UHFFFAOYSA-N -1 3 338.338 3.649 20 0 EHADHM C[C@@H]1CC[C@H](C)N(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000174013118 1139394130 /nfs/dbraw/zinc/39/41/30/1139394130.db2.gz JWMJIKXIBAPSLY-NEPJUHHUSA-N -1 3 343.452 3.865 20 0 EHADHM CC(C)c1nn(C)c(Cl)c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000175615105 1139503580 /nfs/dbraw/zinc/50/35/80/1139503580.db2.gz FUVMBRHYRRLWKV-UHFFFAOYSA-N -1 3 328.199 3.808 20 0 EHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c(C)c1O ZINC000179728530 1139778130 /nfs/dbraw/zinc/77/81/30/1139778130.db2.gz UPEVDBSHCMMHSN-UHFFFAOYSA-N -1 3 335.425 3.597 20 0 EHADHM CC[C@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccc(C)cc1 ZINC000182733499 1139988985 /nfs/dbraw/zinc/98/89/85/1139988985.db2.gz RQGVKEVBYOYAED-INIZCTEOSA-N -1 3 348.468 3.938 20 0 EHADHM COc1cc(C(=O)N(CC2CC2)C2CCCCC2)cc(OC)c1[O-] ZINC000186775581 1140221818 /nfs/dbraw/zinc/22/18/18/1140221818.db2.gz ZORJZMVTMUERCO-UHFFFAOYSA-N -1 3 333.428 3.594 20 0 EHADHM C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccccc1[O-] ZINC000187081178 1140236769 /nfs/dbraw/zinc/23/67/69/1140236769.db2.gz KPHXIWCLKRUBQP-SJKOYZFVSA-N -1 3 331.799 3.648 20 0 EHADHM CCc1ccc(C(=O)N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)c([O-])c1 ZINC000188224591 1140287741 /nfs/dbraw/zinc/28/77/41/1140287741.db2.gz JPISIQWUNALFRE-YEBMWUKDSA-N -1 3 345.464 3.525 20 0 EHADHM CCc1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c([O-])c1 ZINC000188862757 1140311147 /nfs/dbraw/zinc/31/11/47/1140311147.db2.gz SIMUHWPBUBWKTO-UHFFFAOYSA-N -1 3 349.434 3.851 20 0 EHADHM Cc1ccc(-c2ncccc2NC([O-])=NO[C@H]2CCCCO2)s1 ZINC000189483668 1140346470 /nfs/dbraw/zinc/34/64/70/1140346470.db2.gz YKHXQHKEMCRGQP-AWEZNQCLSA-N -1 3 333.413 3.698 20 0 EHADHM Cc1ccc(-c2ncccc2NC(=O)[N-]O[C@H]2CCCCO2)s1 ZINC000189483668 1140346479 /nfs/dbraw/zinc/34/64/79/1140346479.db2.gz YKHXQHKEMCRGQP-AWEZNQCLSA-N -1 3 333.413 3.698 20 0 EHADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CCCc2cccnc21 ZINC000192827023 1140552737 /nfs/dbraw/zinc/55/27/37/1140552737.db2.gz QOZNAWHQFGKLGR-GFCCVEGCSA-N -1 3 347.212 3.608 20 0 EHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(OCCOC)cc2)CC)n1 ZINC000193619040 1140580909 /nfs/dbraw/zinc/58/09/09/1140580909.db2.gz NEYUADYLFDXIAG-SSZFMOIBSA-N -1 3 342.439 3.698 20 0 EHADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@H](C)c1ccc(F)c(F)c1 ZINC000195302750 1140636160 /nfs/dbraw/zinc/63/61/60/1140636160.db2.gz YOCUTNDGCLNQNM-SNVBAGLBSA-N -1 3 326.293 3.637 20 0 EHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)c1c(F)cccc1F ZINC000267043416 1140753723 /nfs/dbraw/zinc/75/37/23/1140753723.db2.gz UTTBEDKCSVSMIR-SECBINFHSA-N -1 3 349.381 3.557 20 0 EHADHM CC(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000267546727 1140802031 /nfs/dbraw/zinc/80/20/31/1140802031.db2.gz BMYRDGVTNOGPFY-VIFPVBQESA-N -1 3 334.422 3.868 20 0 EHADHM CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000268925206 1141025969 /nfs/dbraw/zinc/02/59/69/1141025969.db2.gz VVGDTLUCXCOXDD-QZTJIDSGSA-N -1 3 342.439 3.606 20 0 EHADHM Cc1csc(-c2ccc(NC(=O)NCc3ncccc3[O-])cc2)n1 ZINC000348787849 1141580269 /nfs/dbraw/zinc/58/02/69/1141580269.db2.gz UAZBUPHSYIQRPQ-UHFFFAOYSA-N -1 3 340.408 3.541 20 0 EHADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(Cl)cc1 ZINC000023864230 202110248 /nfs/dbraw/zinc/11/02/48/202110248.db2.gz CEXRLGGWMJYWQY-QMMMGPOBSA-N -1 3 349.761 3.797 20 0 EHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)c(C)c1 ZINC000055638426 202696626 /nfs/dbraw/zinc/69/66/26/202696626.db2.gz UNOZSZBAZNXDRO-UHFFFAOYSA-N -1 3 345.342 3.845 20 0 EHADHM Cc1ccc([O-])c(C(=O)N(C)Cc2ccc(Br)s2)c1 ZINC000069445717 203002496 /nfs/dbraw/zinc/00/24/96/203002496.db2.gz TYBKVEUAQWJQJR-UHFFFAOYSA-N -1 3 340.242 3.797 20 0 EHADHM CCN(Cc1ncc(C(C)C)o1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736556197 598831890 /nfs/dbraw/zinc/83/18/90/598831890.db2.gz OHLPOVANWWPHJT-ZDUSSCGKSA-N -1 3 340.431 3.561 20 0 EHADHM CCN(Cc1ncc(C(C)C)o1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736556197 598831894 /nfs/dbraw/zinc/83/18/94/598831894.db2.gz OHLPOVANWWPHJT-ZDUSSCGKSA-N -1 3 340.431 3.561 20 0 EHADHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000607104833 598910382 /nfs/dbraw/zinc/91/03/82/598910382.db2.gz IORWXHRXNOWZJH-QZTJIDSGSA-N -1 3 347.422 3.732 20 0 EHADHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000607104833 598910383 /nfs/dbraw/zinc/91/03/83/598910383.db2.gz IORWXHRXNOWZJH-QZTJIDSGSA-N -1 3 347.422 3.732 20 0 EHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C=C2CCC(C)CC2)s1 ZINC000736679171 598928421 /nfs/dbraw/zinc/92/84/21/598928421.db2.gz MQEOBLMOBSYICO-UHFFFAOYSA-N -1 3 331.445 3.566 20 0 EHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C=C2CCC(C)CC2)s1 ZINC000736679171 598928422 /nfs/dbraw/zinc/92/84/22/598928422.db2.gz MQEOBLMOBSYICO-UHFFFAOYSA-N -1 3 331.445 3.566 20 0 EHADHM O=C(CCC1CC1)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737823591 598998902 /nfs/dbraw/zinc/99/89/02/598998902.db2.gz KJTWKSNZYWFZKF-UHFFFAOYSA-N -1 3 349.394 3.788 20 0 EHADHM O=C(CCC1CC1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737823591 598998904 /nfs/dbraw/zinc/99/89/04/598998904.db2.gz KJTWKSNZYWFZKF-UHFFFAOYSA-N -1 3 349.394 3.788 20 0 EHADHM C[C@@H]1C[C@@H]1[C@@H](Nc1ncccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000820667395 599054974 /nfs/dbraw/zinc/05/49/74/599054974.db2.gz MBMVDNXZUIGROX-ONERCXAPSA-N -1 3 340.818 3.724 20 0 EHADHM C[C@@H]1C[C@@H]1[C@@H](Nc1ncccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000820667395 599054977 /nfs/dbraw/zinc/05/49/77/599054977.db2.gz MBMVDNXZUIGROX-ONERCXAPSA-N -1 3 340.818 3.724 20 0 EHADHM C[C@@H](COCc1ccccc1)Nc1c(Cl)cccc1-c1nnn[n-]1 ZINC000820287211 599079919 /nfs/dbraw/zinc/07/99/19/599079919.db2.gz KJEKFLXVTOFCCF-LBPRGKRZSA-N -1 3 343.818 3.537 20 0 EHADHM C[C@@H](COCc1ccccc1)Nc1c(Cl)cccc1-c1nn[n-]n1 ZINC000820287211 599079922 /nfs/dbraw/zinc/07/99/22/599079922.db2.gz KJEKFLXVTOFCCF-LBPRGKRZSA-N -1 3 343.818 3.537 20 0 EHADHM C/C(=C\C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C)C(C)(C)C ZINC000819765267 599145813 /nfs/dbraw/zinc/14/58/13/599145813.db2.gz NDSDUWBTVGAANW-SDNWHVSQSA-N -1 3 341.459 3.596 20 0 EHADHM C/C(=C\C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C)C(C)(C)C ZINC000819765267 599145816 /nfs/dbraw/zinc/14/58/16/599145816.db2.gz NDSDUWBTVGAANW-SDNWHVSQSA-N -1 3 341.459 3.596 20 0 EHADHM C[C@H]1CCC[C@H](C)N(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820698336 599247251 /nfs/dbraw/zinc/24/72/51/599247251.db2.gz SXADXZDVDOQLRJ-QWRGUYRKSA-N -1 3 348.838 3.563 20 0 EHADHM C[C@H]1CCC[C@H](C)N(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820698336 599247253 /nfs/dbraw/zinc/24/72/53/599247253.db2.gz SXADXZDVDOQLRJ-QWRGUYRKSA-N -1 3 348.838 3.563 20 0 EHADHM CSc1cccc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000821984351 607290497 /nfs/dbraw/zinc/29/04/97/607290497.db2.gz NUIXBVNLXKSUAY-UHFFFAOYSA-N -1 3 340.412 3.541 20 0 EHADHM CSc1cccc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000821984351 607290498 /nfs/dbraw/zinc/29/04/98/607290498.db2.gz NUIXBVNLXKSUAY-UHFFFAOYSA-N -1 3 340.412 3.541 20 0 EHADHM CCN(c1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1)C(C)C ZINC000821243109 607307902 /nfs/dbraw/zinc/30/79/02/607307902.db2.gz ZDLOJXXQTKISFT-UHFFFAOYSA-N -1 3 342.472 3.775 20 0 EHADHM CC(C)c1ccc(C(C)(C)NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735923497 598239273 /nfs/dbraw/zinc/23/92/73/598239273.db2.gz WEDWWQZJEJOINM-UHFFFAOYSA-N -1 3 349.438 3.655 20 0 EHADHM CC(C)c1ccc(C(C)(C)NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735923497 598239274 /nfs/dbraw/zinc/23/92/74/598239274.db2.gz WEDWWQZJEJOINM-UHFFFAOYSA-N -1 3 349.438 3.655 20 0 EHADHM Fc1cc(-c2nnn[n-]2)cc(F)c1NCc1ccc2ccccc2c1 ZINC000737637658 598241768 /nfs/dbraw/zinc/24/17/68/598241768.db2.gz BFBVYTSYFKJXCY-UHFFFAOYSA-N -1 3 337.333 3.910 20 0 EHADHM Fc1cc(-c2nn[n-]n2)cc(F)c1NCc1ccc2ccccc2c1 ZINC000737637658 598241770 /nfs/dbraw/zinc/24/17/70/598241770.db2.gz BFBVYTSYFKJXCY-UHFFFAOYSA-N -1 3 337.333 3.910 20 0 EHADHM Cc1cccc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737400244 598315982 /nfs/dbraw/zinc/31/59/82/598315982.db2.gz QWFCBZGFNUZMJP-UHFFFAOYSA-N -1 3 344.831 3.637 20 0 EHADHM Cc1cccc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737400244 598315984 /nfs/dbraw/zinc/31/59/84/598315984.db2.gz QWFCBZGFNUZMJP-UHFFFAOYSA-N -1 3 344.831 3.637 20 0 EHADHM C[C@H](NC(=O)c1ccccc1C(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000820397062 607351711 /nfs/dbraw/zinc/35/17/11/607351711.db2.gz LHUTUDGTCJFHOJ-ZDUSSCGKSA-N -1 3 349.438 3.655 20 0 EHADHM C[C@H](NC(=O)c1ccccc1C(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000820397062 607351713 /nfs/dbraw/zinc/35/17/13/607351713.db2.gz LHUTUDGTCJFHOJ-ZDUSSCGKSA-N -1 3 349.438 3.655 20 0 EHADHM C[C@@H](Cc1ccccc1Cl)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000736056361 598388632 /nfs/dbraw/zinc/38/86/32/598388632.db2.gz BCLPYQDESRFLSW-VIFPVBQESA-N -1 3 349.225 3.612 20 0 EHADHM C[C@@H](Cc1ccccc1Cl)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000736056361 598388633 /nfs/dbraw/zinc/38/86/33/598388633.db2.gz BCLPYQDESRFLSW-VIFPVBQESA-N -1 3 349.225 3.612 20 0 EHADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000735985559 598393340 /nfs/dbraw/zinc/39/33/40/598393340.db2.gz HBCOBRXYBMHTQZ-NSHDSACASA-N -1 3 328.807 3.521 20 0 EHADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000735985559 598393341 /nfs/dbraw/zinc/39/33/41/598393341.db2.gz HBCOBRXYBMHTQZ-NSHDSACASA-N -1 3 328.807 3.521 20 0 EHADHM Cc1ccc(-c2nc(COc3ccc(-c4nn[n-]n4)cc3C)co2)cc1 ZINC000737289677 598395576 /nfs/dbraw/zinc/39/55/76/598395576.db2.gz WEDIYZYIXWUHKH-UHFFFAOYSA-N -1 3 347.378 3.718 20 0 EHADHM COc1ccc([C@H](C)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1F ZINC000737077798 598507729 /nfs/dbraw/zinc/50/77/29/598507729.db2.gz YQJULYAMHNCBKK-VIFPVBQESA-N -1 3 347.781 3.841 20 0 EHADHM COc1ccc([C@H](C)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1F ZINC000737077798 598507731 /nfs/dbraw/zinc/50/77/31/598507731.db2.gz YQJULYAMHNCBKK-VIFPVBQESA-N -1 3 347.781 3.841 20 0 EHADHM Cc1ccsc1CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737441295 598577539 /nfs/dbraw/zinc/57/75/39/598577539.db2.gz CYPPZVMGJNSSSS-UHFFFAOYSA-N -1 3 339.346 3.868 20 0 EHADHM Cc1ccsc1CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737441295 598577541 /nfs/dbraw/zinc/57/75/41/598577541.db2.gz CYPPZVMGJNSSSS-UHFFFAOYSA-N -1 3 339.346 3.868 20 0 EHADHM Clc1ccc([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC000737570372 598680377 /nfs/dbraw/zinc/68/03/77/598680377.db2.gz GFLBQLFADVMWON-CQSZACIVSA-N -1 3 325.803 3.514 20 0 EHADHM CC(C)Sc1ccc([C@H](C)Nc2ncccc2-c2nnn[n-]2)cc1 ZINC000735921095 598755634 /nfs/dbraw/zinc/75/56/34/598755634.db2.gz JCNSSOIETACEDV-LBPRGKRZSA-N -1 3 340.456 3.935 20 0 EHADHM CC(C)Sc1ccc([C@H](C)Nc2ncccc2-c2nn[n-]n2)cc1 ZINC000735921095 598755635 /nfs/dbraw/zinc/75/56/35/598755635.db2.gz JCNSSOIETACEDV-LBPRGKRZSA-N -1 3 340.456 3.935 20 0 EHADHM C[C@H](Nc1ccc(Cl)cc1-c1nnn[n-]1)c1nc2ccccc2[nH]1 ZINC000736138689 598794124 /nfs/dbraw/zinc/79/41/24/598794124.db2.gz NVOPPXHVVNRVBY-VIFPVBQESA-N -1 3 339.790 3.570 20 0 EHADHM C[C@H](Nc1ccc(Cl)cc1-c1nn[n-]n1)c1nc2ccccc2[nH]1 ZINC000736138689 598794125 /nfs/dbraw/zinc/79/41/25/598794125.db2.gz NVOPPXHVVNRVBY-VIFPVBQESA-N -1 3 339.790 3.570 20 0 EHADHM Clc1ccc(N2CC[C@H](c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000737573869 598794862 /nfs/dbraw/zinc/79/48/62/598794862.db2.gz DJONNXJZUZCPNV-ZDUSSCGKSA-N -1 3 325.803 3.514 20 0 EHADHM Clc1ccc(N2CC[C@H](c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000737573869 598794863 /nfs/dbraw/zinc/79/48/63/598794863.db2.gz DJONNXJZUZCPNV-ZDUSSCGKSA-N -1 3 325.803 3.514 20 0 EHADHM CCC[C@@H](C)C(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000736419244 598804361 /nfs/dbraw/zinc/80/43/61/598804361.db2.gz KNNWTZDJGLCJLH-OAHLLOKOSA-N -1 3 349.438 3.836 20 0 EHADHM CCC[C@@H](C)C(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000736419244 598804363 /nfs/dbraw/zinc/80/43/63/598804363.db2.gz KNNWTZDJGLCJLH-OAHLLOKOSA-N -1 3 349.438 3.836 20 0 EHADHM CCN(C(=O)CCC1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502411 599310531 /nfs/dbraw/zinc/31/05/31/599310531.db2.gz MIUAOSJTKKRZRI-UHFFFAOYSA-N -1 3 327.432 3.580 20 0 EHADHM CCN(C(=O)CCC1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502411 599310534 /nfs/dbraw/zinc/31/05/34/599310534.db2.gz MIUAOSJTKKRZRI-UHFFFAOYSA-N -1 3 327.432 3.580 20 0 EHADHM CC(C)c1noc([C@H](C)S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000735953618 599325358 /nfs/dbraw/zinc/32/53/58/599325358.db2.gz XCKOSLUYMZRNCB-MNOVXSKESA-N -1 3 344.444 3.929 20 0 EHADHM CC(C)c1noc([C@H](C)S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000735953618 599325361 /nfs/dbraw/zinc/32/53/61/599325361.db2.gz XCKOSLUYMZRNCB-MNOVXSKESA-N -1 3 344.444 3.929 20 0 EHADHM C[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)[C@H](c2ccco2)C1 ZINC000820727160 599359853 /nfs/dbraw/zinc/35/98/53/599359853.db2.gz HYANMFLDGOHHBW-RISCZKNCSA-N -1 3 327.363 3.576 20 0 EHADHM C[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)[C@H](c2ccco2)C1 ZINC000820727160 599359854 /nfs/dbraw/zinc/35/98/54/599359854.db2.gz HYANMFLDGOHHBW-RISCZKNCSA-N -1 3 327.363 3.576 20 0 EHADHM C[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccc(Cl)c(Cl)c1 ZINC000820431145 599389946 /nfs/dbraw/zinc/38/99/46/599389946.db2.gz BGKHNFUAFIOOBZ-QMMMGPOBSA-N -1 3 338.198 3.617 20 0 EHADHM C[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccc(Cl)c(Cl)c1 ZINC000820431145 599389949 /nfs/dbraw/zinc/38/99/49/599389949.db2.gz BGKHNFUAFIOOBZ-QMMMGPOBSA-N -1 3 338.198 3.617 20 0 EHADHM Fc1cccc2c1CC[C@@H]2Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737662673 599417128 /nfs/dbraw/zinc/41/71/28/599417128.db2.gz CTDVFKVLVGQTKZ-KRWDZBQOSA-N -1 3 346.369 3.653 20 0 EHADHM Fc1cccc2c1CC[C@@H]2Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737662673 599417129 /nfs/dbraw/zinc/41/71/29/599417129.db2.gz CTDVFKVLVGQTKZ-KRWDZBQOSA-N -1 3 346.369 3.653 20 0 EHADHM Fc1ccc2c(c1)CC[C@H]2Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737666484 599418044 /nfs/dbraw/zinc/41/80/44/599418044.db2.gz LUFMGJNVWFDFKH-CQSZACIVSA-N -1 3 329.766 3.759 20 0 EHADHM Fc1ccc2c(c1)CC[C@H]2Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737666484 599418045 /nfs/dbraw/zinc/41/80/45/599418045.db2.gz LUFMGJNVWFDFKH-CQSZACIVSA-N -1 3 329.766 3.759 20 0 EHADHM C[C@@H]1c2ccsc2CCN1c1cccc(Cl)c1-c1nnn[n-]1 ZINC000820827607 599433184 /nfs/dbraw/zinc/43/31/84/599433184.db2.gz UTGAEIAHMWRNAB-SECBINFHSA-N -1 3 331.832 3.705 20 0 EHADHM C[C@@H]1c2ccsc2CCN1c1cccc(Cl)c1-c1nn[n-]n1 ZINC000820827607 599433186 /nfs/dbraw/zinc/43/31/86/599433186.db2.gz UTGAEIAHMWRNAB-SECBINFHSA-N -1 3 331.832 3.705 20 0 EHADHM CS[C@H]1CCC[C@@H](Nc2cc(-c3nnn[n-]3)c3ccccc3n2)C1 ZINC000737182270 599441360 /nfs/dbraw/zinc/44/13/60/599441360.db2.gz YRTCHQJFKKMERT-NEPJUHHUSA-N -1 3 340.456 3.501 20 0 EHADHM CS[C@H]1CCC[C@@H](Nc2cc(-c3nn[n-]n3)c3ccccc3n2)C1 ZINC000737182270 599441364 /nfs/dbraw/zinc/44/13/64/599441364.db2.gz YRTCHQJFKKMERT-NEPJUHHUSA-N -1 3 340.456 3.501 20 0 EHADHM Cc1ccc(CCSCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737337451 599452425 /nfs/dbraw/zinc/45/24/25/599452425.db2.gz NAPVVJPAKULWLY-UHFFFAOYSA-N -1 3 340.452 3.530 20 0 EHADHM Cc1ccc(CCSCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737337451 599452428 /nfs/dbraw/zinc/45/24/28/599452428.db2.gz NAPVVJPAKULWLY-UHFFFAOYSA-N -1 3 340.452 3.530 20 0 EHADHM CC[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(C)cc1 ZINC000820925554 599464602 /nfs/dbraw/zinc/46/46/02/599464602.db2.gz JSOKHOGDKGCWHM-AWEZNQCLSA-N -1 3 328.807 3.787 20 0 EHADHM CC[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(C)cc1 ZINC000820925554 599464606 /nfs/dbraw/zinc/46/46/06/599464606.db2.gz JSOKHOGDKGCWHM-AWEZNQCLSA-N -1 3 328.807 3.787 20 0 EHADHM Clc1cccc(-c2nnn[n-]2)c1N1CCC(c2ccccc2)CC1 ZINC000822581726 599470103 /nfs/dbraw/zinc/47/01/03/599470103.db2.gz MCLURAXUZMPQBT-UHFFFAOYSA-N -1 3 339.830 3.904 20 0 EHADHM Clc1cccc(-c2nn[n-]n2)c1N1CCC(c2ccccc2)CC1 ZINC000822581726 599470104 /nfs/dbraw/zinc/47/01/04/599470104.db2.gz MCLURAXUZMPQBT-UHFFFAOYSA-N -1 3 339.830 3.904 20 0 EHADHM CCCCC[C@@H](C)CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821050395 599517723 /nfs/dbraw/zinc/51/77/23/599517723.db2.gz RMAYWJQQXZLJNI-KGLIPLIRSA-N -1 3 329.448 3.650 20 0 EHADHM CCCCC[C@@H](C)CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821050395 599517724 /nfs/dbraw/zinc/51/77/24/599517724.db2.gz RMAYWJQQXZLJNI-KGLIPLIRSA-N -1 3 329.448 3.650 20 0 EHADHM Fc1ccc(N2CCC[C@@H](c3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC000822778168 599522102 /nfs/dbraw/zinc/52/21/02/599522102.db2.gz DYVLZOIXKDEDEN-OAHLLOKOSA-N -1 3 337.402 3.780 20 0 EHADHM Fc1ccc(N2CCC[C@@H](c3ccccc3)CC2)c(-c2nn[n-]n2)c1 ZINC000822778168 599522104 /nfs/dbraw/zinc/52/21/04/599522104.db2.gz DYVLZOIXKDEDEN-OAHLLOKOSA-N -1 3 337.402 3.780 20 0 EHADHM C[C@@H](NC(=O)C[C@H](C)C1CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321688 599533385 /nfs/dbraw/zinc/53/33/85/599533385.db2.gz KWZGDICWNFKTIY-UONOGXRCSA-N -1 3 341.459 3.650 20 0 EHADHM C[C@@H](NC(=O)C[C@H](C)C1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321688 599533387 /nfs/dbraw/zinc/53/33/87/599533387.db2.gz KWZGDICWNFKTIY-UONOGXRCSA-N -1 3 341.459 3.650 20 0 EHADHM CCc1ccc([C@@H]2CCCCN2c2cccc(F)c2-c2nnn[n-]2)o1 ZINC000821482914 599578889 /nfs/dbraw/zinc/57/88/89/599578889.db2.gz WKSVFEXFACKGMZ-AWEZNQCLSA-N -1 3 341.390 3.893 20 0 EHADHM CCc1ccc([C@@H]2CCCCN2c2cccc(F)c2-c2nn[n-]n2)o1 ZINC000821482914 599578892 /nfs/dbraw/zinc/57/88/92/599578892.db2.gz WKSVFEXFACKGMZ-AWEZNQCLSA-N -1 3 341.390 3.893 20 0 EHADHM Clc1cc(N[C@H]2C[C@H]2Cc2ccccc2)ccc1-c1nnn[n-]1 ZINC000822567533 599591362 /nfs/dbraw/zinc/59/13/62/599591362.db2.gz CRVBBIOPLAZLQQ-WBMJQRKESA-N -1 3 325.803 3.563 20 0 EHADHM Clc1cc(N[C@H]2C[C@H]2Cc2ccccc2)ccc1-c1nn[n-]n1 ZINC000822567533 599591365 /nfs/dbraw/zinc/59/13/65/599591365.db2.gz CRVBBIOPLAZLQQ-WBMJQRKESA-N -1 3 325.803 3.563 20 0 EHADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000736328405 599609691 /nfs/dbraw/zinc/60/96/91/599609691.db2.gz HMPXSGFKQZUZHM-WBMJQRKESA-N -1 3 342.447 3.608 20 0 EHADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000736328405 599609692 /nfs/dbraw/zinc/60/96/92/599609692.db2.gz HMPXSGFKQZUZHM-WBMJQRKESA-N -1 3 342.447 3.608 20 0 EHADHM O=C([O-])[C@@H](NCc1cccc(OCC(F)(F)F)c1)c1ccccc1 ZINC000426771619 599787155 /nfs/dbraw/zinc/78/71/55/599787155.db2.gz DQMPMXFVLKDDHT-HNNXBMFYSA-N -1 3 339.313 3.543 20 0 EHADHM O=C([O-])[C@H](NCc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000426792117 599790157 /nfs/dbraw/zinc/79/01/57/599790157.db2.gz IAUXFFSSXAGJQS-CQSZACIVSA-N -1 3 338.176 3.504 20 0 EHADHM COc1ccc(CN(Cc2cc(C(=O)[O-])co2)[C@H](C)C2CC2)cc1 ZINC000738004780 599849461 /nfs/dbraw/zinc/84/94/61/599849461.db2.gz VZDSBFLBKRFVOF-CYBMUJFWSA-N -1 3 329.396 3.787 20 0 EHADHM CC(C)CN(CCC(=O)[O-])Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000736432996 600003896 /nfs/dbraw/zinc/00/38/96/600003896.db2.gz XZOUCTMXEQGKDM-UHFFFAOYSA-N -1 3 338.354 3.553 20 0 EHADHM Cc1ccc(C)c(N(C(=O)c2ccc(-c3nnn[n-]3)cc2C)C(C)C)c1 ZINC000826284979 607432111 /nfs/dbraw/zinc/43/21/11/607432111.db2.gz MLGCKCYBSRCZRQ-UHFFFAOYSA-N -1 3 349.438 3.847 20 0 EHADHM Cc1ccc(C)c(N(C(=O)c2ccc(-c3nn[n-]n3)cc2C)C(C)C)c1 ZINC000826284979 607432112 /nfs/dbraw/zinc/43/21/12/607432112.db2.gz 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CS[C@H]1CC[C@@H](Nc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C1 ZINC000821950544 606940513 /nfs/dbraw/zinc/94/05/13/606940513.db2.gz OMSBRXJIRPWQOS-ZJUUUORDSA-N -1 3 343.378 3.582 20 0 EHADHM CS[C@H]1CC[C@@H](Nc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000821950544 606940515 /nfs/dbraw/zinc/94/05/15/606940515.db2.gz OMSBRXJIRPWQOS-ZJUUUORDSA-N -1 3 343.378 3.582 20 0 EHADHM CC(C)(C)[C@H](Nc1ncccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000819899144 606948646 /nfs/dbraw/zinc/94/86/46/606948646.db2.gz OARAQBDVSCNRLR-CQSZACIVSA-N -1 3 344.369 3.739 20 0 EHADHM CC(C)(C)[C@H](Nc1ncccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000819899144 606948647 /nfs/dbraw/zinc/94/86/47/606948647.db2.gz OARAQBDVSCNRLR-CQSZACIVSA-N -1 3 344.369 3.739 20 0 EHADHM C[C@@H]1CCC[C@H](C)CN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820697747 607194630 /nfs/dbraw/zinc/19/46/30/607194630.db2.gz LIFIHIIUZJQCHL-WDEREUQCSA-N -1 3 348.838 3.563 20 0 EHADHM C[C@@H]1CCC[C@H](C)CN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820697747 607194631 /nfs/dbraw/zinc/19/46/31/607194631.db2.gz LIFIHIIUZJQCHL-WDEREUQCSA-N -1 3 348.838 3.563 20 0 EHADHM Cc1sc(NC(=O)c2ccc(Cl)cc2C)c(-c2nnn[n-]2)c1C ZINC000822202363 607235936 /nfs/dbraw/zinc/23/59/36/607235936.db2.gz WSNHJNJIDUFBCT-UHFFFAOYSA-N -1 3 347.831 3.759 20 0 EHADHM Cc1sc(NC(=O)c2ccc(Cl)cc2C)c(-c2nn[n-]n2)c1C ZINC000822202363 607235937 /nfs/dbraw/zinc/23/59/37/607235937.db2.gz WSNHJNJIDUFBCT-UHFFFAOYSA-N -1 3 347.831 3.759 20 0 EHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1cccc2ccsc21 ZINC000826408334 607772615 /nfs/dbraw/zinc/77/26/15/607772615.db2.gz BCVYLLNVIVPYPS-UHFFFAOYSA-N -1 3 349.419 3.653 20 0 EHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1cccc2ccsc21 ZINC000826408334 607772616 /nfs/dbraw/zinc/77/26/16/607772616.db2.gz BCVYLLNVIVPYPS-UHFFFAOYSA-N -1 3 349.419 3.653 20 0 EHADHM CCC(C)(C)c1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000825043389 607792890 /nfs/dbraw/zinc/79/28/90/607792890.db2.gz GXWALSFSOVPFKR-UHFFFAOYSA-N -1 3 335.411 3.807 20 0 EHADHM CCC(C)(C)c1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000825043389 607792891 /nfs/dbraw/zinc/79/28/91/607792891.db2.gz GXWALSFSOVPFKR-UHFFFAOYSA-N -1 3 335.411 3.807 20 0 EHADHM CCN(C(=O)C[C@@H](C)CC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367912 607797235 /nfs/dbraw/zinc/79/72/35/607797235.db2.gz XIFSVMMYCRPADT-CYBMUJFWSA-N -1 3 329.448 3.682 20 0 EHADHM CCN(C(=O)C[C@@H](C)CC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367912 607797236 /nfs/dbraw/zinc/79/72/36/607797236.db2.gz XIFSVMMYCRPADT-CYBMUJFWSA-N -1 3 329.448 3.682 20 0 EHADHM Clc1cc(-c2nnn[n-]2)ccc1SC[C@@H]1CC1(Cl)Cl ZINC000826351008 607844678 /nfs/dbraw/zinc/84/46/78/607844678.db2.gz UDJAPMHRPJJWCE-ZETCQYMHSA-N -1 3 335.647 3.806 20 0 EHADHM Clc1cc(-c2nn[n-]n2)ccc1SC[C@@H]1CC1(Cl)Cl ZINC000826351008 607844679 /nfs/dbraw/zinc/84/46/79/607844679.db2.gz UDJAPMHRPJJWCE-ZETCQYMHSA-N -1 3 335.647 3.806 20 0 EHADHM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000823944034 607999907 /nfs/dbraw/zinc/99/99/07/607999907.db2.gz XCYUKCAWULQQLC-HJWRWDBZSA-N -1 3 345.815 3.624 20 0 EHADHM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000823944034 607999908 /nfs/dbraw/zinc/99/99/08/607999908.db2.gz XCYUKCAWULQQLC-HJWRWDBZSA-N -1 3 345.815 3.624 20 0 EHADHM CCS[C@@H]1CCC[C@@H]1Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825669572 608232284 /nfs/dbraw/zinc/23/22/84/608232284.db2.gz ZXNAGODOAHCTLH-LSDHHAIUSA-N -1 3 340.456 3.501 20 0 EHADHM CCS[C@@H]1CCC[C@@H]1Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825669572 608232286 /nfs/dbraw/zinc/23/22/86/608232286.db2.gz ZXNAGODOAHCTLH-LSDHHAIUSA-N -1 3 340.456 3.501 20 0 EHADHM COc1cc(-c2nnn[n-]2)ccc1CSc1cccc2cccnc21 ZINC000826173641 608262753 /nfs/dbraw/zinc/26/27/53/608262753.db2.gz NVJIASMYAAHIBW-UHFFFAOYSA-N -1 3 349.419 3.716 20 0 EHADHM COc1cc(-c2nn[n-]n2)ccc1CSc1cccc2cccnc21 ZINC000826173641 608262754 /nfs/dbraw/zinc/26/27/54/608262754.db2.gz NVJIASMYAAHIBW-UHFFFAOYSA-N -1 3 349.419 3.716 20 0 EHADHM COc1cc(-c2nnn[n-]2)ccc1CSc1ccnc2ccccc21 ZINC000826173652 608264622 /nfs/dbraw/zinc/26/46/22/608264622.db2.gz OGMCUZCQKWHFHT-UHFFFAOYSA-N -1 3 349.419 3.716 20 0 EHADHM COc1cc(-c2nn[n-]n2)ccc1CSc1ccnc2ccccc21 ZINC000826173652 608264624 /nfs/dbraw/zinc/26/46/24/608264624.db2.gz OGMCUZCQKWHFHT-UHFFFAOYSA-N -1 3 349.419 3.716 20 0 EHADHM CCC(CC)CC(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825106805 608346476 /nfs/dbraw/zinc/34/64/76/608346476.db2.gz ITHOYMFHEPXWQR-UHFFFAOYSA-N -1 3 335.839 3.699 20 0 EHADHM CCC(CC)CC(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825106805 608346477 /nfs/dbraw/zinc/34/64/77/608346477.db2.gz ITHOYMFHEPXWQR-UHFFFAOYSA-N -1 3 335.839 3.699 20 0 EHADHM Fc1c(CN2CC[C@H]2c2ccc(Cl)cc2)cccc1-c1nnn[n-]1 ZINC000826371236 608401957 /nfs/dbraw/zinc/40/19/57/608401957.db2.gz XSKSWJYOKMHENO-HNNXBMFYSA-N -1 3 343.793 3.606 20 0 EHADHM Fc1c(CN2CC[C@H]2c2ccc(Cl)cc2)cccc1-c1nn[n-]n1 ZINC000826371236 608401960 /nfs/dbraw/zinc/40/19/60/608401960.db2.gz XSKSWJYOKMHENO-HNNXBMFYSA-N -1 3 343.793 3.606 20 0 EHADHM CCOc1ccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000825643256 609156008 /nfs/dbraw/zinc/15/60/08/609156008.db2.gz JRNOJXXABNPUNB-GOSISDBHSA-N -1 3 335.411 3.755 20 0 EHADHM CCOc1ccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000825643256 609156009 /nfs/dbraw/zinc/15/60/09/609156009.db2.gz JRNOJXXABNPUNB-GOSISDBHSA-N -1 3 335.411 3.755 20 0 EHADHM C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2F)[C@H](c2ccco2)C1 ZINC000824963183 609164627 /nfs/dbraw/zinc/16/46/27/609164627.db2.gz ZNQBIVURZHYGJS-ABAIWWIYSA-N -1 3 327.363 3.576 20 0 EHADHM CC(C)C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000824244076 609170878 /nfs/dbraw/zinc/17/08/78/609170878.db2.gz QISLYNKFHVAAQM-QWHCGFSZSA-N -1 3 335.839 3.526 20 0 EHADHM CC(C)C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000824244076 609170879 /nfs/dbraw/zinc/17/08/79/609170879.db2.gz QISLYNKFHVAAQM-QWHCGFSZSA-N -1 3 335.839 3.526 20 0 EHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1ccccc1Cl ZINC000825480782 609177855 /nfs/dbraw/zinc/17/78/55/609177855.db2.gz KSGCBRBWTFLXIF-UHFFFAOYSA-N -1 3 328.807 3.564 20 0 EHADHM CCc1ccc2nc(NCc3ccc(-c4nnn[n-]4)s3)sc2c1 ZINC000825716786 609264025 /nfs/dbraw/zinc/26/40/25/609264025.db2.gz AZYCRINVBHUBLM-UHFFFAOYSA-N -1 3 342.453 3.712 20 0 EHADHM Cc1c2nc(NCc3cc(-c4nnn[n-]4)cs3)sc2ccc1F ZINC000826241218 609266353 /nfs/dbraw/zinc/26/63/53/609266353.db2.gz VVLDHKLVZPVQEK-UHFFFAOYSA-N -1 3 346.416 3.598 20 0 EHADHM Cc1c2nc(NCc3cc(-c4nn[n-]n4)cs3)sc2ccc1F ZINC000826241218 609266355 /nfs/dbraw/zinc/26/63/55/609266355.db2.gz VVLDHKLVZPVQEK-UHFFFAOYSA-N -1 3 346.416 3.598 20 0 EHADHM C[C@H](Nc1ccc2c(c1)OC(C)(C)O2)c1cccc(-c2nnn[n-]2)c1 ZINC000824657157 609274225 /nfs/dbraw/zinc/27/42/25/609274225.db2.gz PCCSIWLDFWIYOY-NSHDSACASA-N -1 3 337.383 3.547 20 0 EHADHM C[C@H](Nc1ccc2c(c1)OC(C)(C)O2)c1cccc(-c2nn[n-]n2)c1 ZINC000824657157 609274226 /nfs/dbraw/zinc/27/42/26/609274226.db2.gz PCCSIWLDFWIYOY-NSHDSACASA-N -1 3 337.383 3.547 20 0 EHADHM COc1ccc(Cl)c(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826208684 609349940 /nfs/dbraw/zinc/34/99/40/609349940.db2.gz WAQRXSCLKPMHIT-SECBINFHSA-N -1 3 347.781 3.841 20 0 EHADHM COc1ccc(Cl)c(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826208684 609349941 /nfs/dbraw/zinc/34/99/41/609349941.db2.gz WAQRXSCLKPMHIT-SECBINFHSA-N -1 3 347.781 3.841 20 0 EHADHM CC(C)Oc1cc(F)ccc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824319277 609408318 /nfs/dbraw/zinc/40/83/18/609408318.db2.gz KUIPBUCNFHHIPA-GFCCVEGCSA-N -1 3 341.390 3.966 20 0 EHADHM CC(C)Oc1cc(F)ccc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824319277 609408321 /nfs/dbraw/zinc/40/83/21/609408321.db2.gz KUIPBUCNFHHIPA-GFCCVEGCSA-N -1 3 341.390 3.966 20 0 EHADHM CC(C)OCCCSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824314783 609449682 /nfs/dbraw/zinc/44/96/82/609449682.db2.gz GGKUHGUVCRGTEU-UHFFFAOYSA-N -1 3 346.378 3.793 20 0 EHADHM CC(C)OCCCSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824314783 609449685 /nfs/dbraw/zinc/44/96/85/609449685.db2.gz GGKUHGUVCRGTEU-UHFFFAOYSA-N -1 3 346.378 3.793 20 0 EHADHM COc1ccc(-c2nnn[n-]2)cc1NCc1cccc(C(F)(F)F)c1 ZINC000826186856 609481655 /nfs/dbraw/zinc/48/16/55/609481655.db2.gz MWPMXHKNKLUZNF-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM COc1ccc(-c2nn[n-]n2)cc1NCc1cccc(C(F)(F)F)c1 ZINC000826186856 609481657 /nfs/dbraw/zinc/48/16/57/609481657.db2.gz MWPMXHKNKLUZNF-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM Cc1c(NCc2cnc(C3CCC3)s2)cccc1-c1nnn[n-]1 ZINC000826242132 609486010 /nfs/dbraw/zinc/48/60/10/609486010.db2.gz BGAGDAZPKBOBRC-UHFFFAOYSA-N -1 3 326.429 3.511 20 0 EHADHM Cc1c(NCc2cnc(C3CCC3)s2)cccc1-c1nn[n-]n1 ZINC000826242132 609486012 /nfs/dbraw/zinc/48/60/12/609486012.db2.gz BGAGDAZPKBOBRC-UHFFFAOYSA-N -1 3 326.429 3.511 20 0 EHADHM CC[C@@H](C)[C@H](C)C(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825049312 609522956 /nfs/dbraw/zinc/52/29/56/609522956.db2.gz AKTURMMHQVNCIM-KGLIPLIRSA-N -1 3 329.448 3.538 20 0 EHADHM CC[C@@H](C)[C@H](C)C(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825049312 609522957 /nfs/dbraw/zinc/52/29/57/609522957.db2.gz AKTURMMHQVNCIM-KGLIPLIRSA-N -1 3 329.448 3.538 20 0 EHADHM Cc1sc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)c(-c2nnn[n-]2)c1C ZINC000737562532 945097260 /nfs/dbraw/zinc/09/72/60/945097260.db2.gz NIDUIXHKANCZGK-QWHCGFSZSA-N -1 3 345.472 3.700 20 0 EHADHM Cc1sc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)c(-c2nn[n-]n2)c1C ZINC000737562532 945097269 /nfs/dbraw/zinc/09/72/69/945097269.db2.gz NIDUIXHKANCZGK-QWHCGFSZSA-N -1 3 345.472 3.700 20 0 EHADHM C[C@H](C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CC1 ZINC000819876659 945303029 /nfs/dbraw/zinc/30/30/29/945303029.db2.gz IIALBKAFRKWZEU-LBPRGKRZSA-N -1 3 349.394 3.644 20 0 EHADHM C[C@H](C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000819876659 945303038 /nfs/dbraw/zinc/30/30/38/945303038.db2.gz IIALBKAFRKWZEU-LBPRGKRZSA-N -1 3 349.394 3.644 20 0 EHADHM CC[C@H](CC1CCCCC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000510053284 944634026 /nfs/dbraw/zinc/63/40/26/944634026.db2.gz GVHNSYGDXQRROO-CQSZACIVSA-N -1 3 327.432 3.802 20 0 EHADHM CC[C@H](CC1CCCCC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000510053284 944634034 /nfs/dbraw/zinc/63/40/34/944634034.db2.gz GVHNSYGDXQRROO-CQSZACIVSA-N -1 3 327.432 3.802 20 0 EHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)C1CCCCCCC1 ZINC000736627042 944859934 /nfs/dbraw/zinc/85/99/34/944859934.db2.gz HXSKOOAPHFJYGF-UHFFFAOYSA-N -1 3 344.415 3.531 20 0 EHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)C1CCCCCCC1 ZINC000736627042 944859937 /nfs/dbraw/zinc/85/99/37/944859937.db2.gz HXSKOOAPHFJYGF-UHFFFAOYSA-N -1 3 344.415 3.531 20 0 EHADHM COc1ccc(Cl)cc1CSc1ccccc1-c1nnn[n-]1 ZINC000737099820 944960314 /nfs/dbraw/zinc/96/03/14/944960314.db2.gz OXSPMZFJDAWFOZ-UHFFFAOYSA-N -1 3 332.816 3.821 20 0 EHADHM COc1ccc(Cl)cc1CSc1ccccc1-c1nn[n-]n1 ZINC000737099820 944960320 /nfs/dbraw/zinc/96/03/20/944960320.db2.gz OXSPMZFJDAWFOZ-UHFFFAOYSA-N -1 3 332.816 3.821 20 0 EHADHM CC(C)CC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824228009 946629260 /nfs/dbraw/zinc/62/92/60/946629260.db2.gz CWZPKPUZQPLYAZ-AWEZNQCLSA-N -1 3 349.438 3.757 20 0 EHADHM CC(C)CC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824228009 946629264 /nfs/dbraw/zinc/62/92/64/946629264.db2.gz CWZPKPUZQPLYAZ-AWEZNQCLSA-N -1 3 349.438 3.757 20 0 EHADHM CC(C)c1nc([C@H](C)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824358847 946670485 /nfs/dbraw/zinc/67/04/85/946670485.db2.gz QOUUAHCZTMAVFW-NEPJUHHUSA-N -1 3 342.472 3.858 20 0 EHADHM CCC(CC)c1cc(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2)on1 ZINC000825114188 947082305 /nfs/dbraw/zinc/08/23/05/947082305.db2.gz KWADSVCXLIJHIP-GFCCVEGCSA-N -1 3 340.431 3.609 20 0 EHADHM CC(C)c1csc(SCc2cc(F)ccc2-c2nnn[n-]2)n1 ZINC001574423996 948834651 /nfs/dbraw/zinc/83/46/51/948834651.db2.gz AKZFAYWSNSPAPZ-UHFFFAOYSA-N -1 3 335.433 3.878 20 0 EHADHM CC(C)c1csc(SCc2cc(F)ccc2-c2nn[n-]n2)n1 ZINC001574423996 948834670 /nfs/dbraw/zinc/83/46/70/948834670.db2.gz AKZFAYWSNSPAPZ-UHFFFAOYSA-N -1 3 335.433 3.878 20 0 EHADHM C[C@H](C1CC1)N(CCOc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC001574471890 949540990 /nfs/dbraw/zinc/54/09/90/949540990.db2.gz ORSPHQCKQKDUTG-OAHLLOKOSA-N -1 3 349.438 3.551 20 0 EHADHM C[C@H](C1CC1)N(CCOc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC001574471890 949540998 /nfs/dbraw/zinc/54/09/98/949540998.db2.gz ORSPHQCKQKDUTG-OAHLLOKOSA-N -1 3 349.438 3.551 20 0 EHADHM C[C@H]1CCCC[C@@H]1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC001576169856 949693146 /nfs/dbraw/zinc/69/31/46/949693146.db2.gz JYQHYFPCVTTYDV-QWRGUYRKSA-N -1 3 345.472 3.572 20 0 EHADHM C[C@H]1CCCC[C@@H]1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC001576169856 949693158 /nfs/dbraw/zinc/69/31/58/949693158.db2.gz JYQHYFPCVTTYDV-QWRGUYRKSA-N -1 3 345.472 3.572 20 0 EHADHM C[C@@H](OC(=O)C[C@@H]1CCCC[C@@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC001576171949 949782609 /nfs/dbraw/zinc/78/26/09/949782609.db2.gz RQZDBJUXSUSKST-MJBXVCDLSA-N -1 3 328.416 3.687 20 0 EHADHM C[C@@H](OC(=O)C[C@@H]1CCCC[C@@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC001576171949 949782629 /nfs/dbraw/zinc/78/26/29/949782629.db2.gz RQZDBJUXSUSKST-MJBXVCDLSA-N -1 3 328.416 3.687 20 0 EHADHM CC(C)CC(CC(C)C)NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001574143899 949895349 /nfs/dbraw/zinc/89/53/49/949895349.db2.gz IRQDVSRFMCRMAM-UHFFFAOYSA-N -1 3 349.866 3.711 20 0 EHADHM CC(C)CC(CC(C)C)NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001574143899 949895373 /nfs/dbraw/zinc/89/53/73/949895373.db2.gz IRQDVSRFMCRMAM-UHFFFAOYSA-N -1 3 349.866 3.711 20 0 EHADHM CC(C)(C)CCCOc1cc(-c2nnn[n-]2)ccc1Br ZINC001573845153 950220559 /nfs/dbraw/zinc/22/05/59/950220559.db2.gz SYKQOHYGPNRLSG-UHFFFAOYSA-N -1 3 339.237 3.834 20 0 EHADHM CC(C)(C)CCCOc1cc(-c2nn[n-]n2)ccc1Br ZINC001573845153 950220576 /nfs/dbraw/zinc/22/05/76/950220576.db2.gz SYKQOHYGPNRLSG-UHFFFAOYSA-N -1 3 339.237 3.834 20 0 EHADHM C[C@@H]1CCN(c2cc(C(F)(F)F)c(F)cc2-c2nnn[n-]2)C[C@@H]1C ZINC001576213604 950635402 /nfs/dbraw/zinc/63/54/02/950635402.db2.gz DHRPMZOCUZPQTH-BDAKNGLRSA-N -1 3 343.328 3.507 20 0 EHADHM C[C@@H]1CCN(c2cc(C(F)(F)F)c(F)cc2-c2nn[n-]n2)C[C@@H]1C ZINC001576213604 950635416 /nfs/dbraw/zinc/63/54/16/950635416.db2.gz 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[O-]c1ccc(CNc2ncnc3ccc(F)cc32)cc1Br ZINC000301718772 1026913790 /nfs/dbraw/zinc/91/37/90/1026913790.db2.gz YZWXZQIBLDBCFV-UHFFFAOYSA-N -1 3 348.175 3.849 20 0 EHADHM CC(C)Cn1ccnc1C[N-]c1nc(-c2cccc(Cl)c2)no1 ZINC000301749093 1026925036 /nfs/dbraw/zinc/92/50/36/1026925036.db2.gz HSCKAQCWOSRDGZ-UHFFFAOYSA-N -1 3 331.807 3.855 20 0 EHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H](C)OCCC(C)C ZINC000452749692 1026972503 /nfs/dbraw/zinc/97/25/03/1026972503.db2.gz MSXQAIOUBOQCOE-LLVKDONJSA-N -1 3 344.249 3.853 20 0 EHADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CCC(F)(F)C1 ZINC000452747519 1026972746 /nfs/dbraw/zinc/97/27/46/1026972746.db2.gz IGCFXACOZDBNJW-MRVPVSSYSA-N -1 3 334.160 3.837 20 0 EHADHM Cc1nc2cc(NCc3cccc([O-])c3Cl)ccc2n1[C@@H](C)CO ZINC000419757812 1027162437 /nfs/dbraw/zinc/16/24/37/1027162437.db2.gz DFHNRWFVLBTALA-NSHDSACASA-N -1 3 345.830 3.869 20 0 EHADHM Cc1onc(-c2ccccn2)c1C(=O)[N-]c1cc(-c2ccccc2)on1 ZINC000127752786 1027349996 /nfs/dbraw/zinc/34/99/96/1027349996.db2.gz 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/nfs/dbraw/zinc/28/75/96/1140287596.db2.gz JPISIQWUNALFRE-RZFZLAGVSA-N -1 3 345.464 3.525 20 0 EHADHM Cc1cc(-c2ncccc2NC([O-])=NO[C@H]2CCCCO2)cs1 ZINC000189207436 1140327633 /nfs/dbraw/zinc/32/76/33/1140327633.db2.gz OEQYHIULPFWBQV-AWEZNQCLSA-N -1 3 333.413 3.698 20 0 EHADHM Cc1cc(-c2ncccc2NC(=O)[N-]O[C@H]2CCCCO2)cs1 ZINC000189207436 1140327640 /nfs/dbraw/zinc/32/76/40/1140327640.db2.gz OEQYHIULPFWBQV-AWEZNQCLSA-N -1 3 333.413 3.698 20 0 EHADHM CCCCO[C@H]1C[C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C1(C)C ZINC000267227457 1140769761 /nfs/dbraw/zinc/76/97/61/1140769761.db2.gz IOMWLOCKMVMZBE-ROUUACIJSA-N -1 3 342.439 3.654 20 0 EHADHM CCN(Cc1ccc(Cl)cc1)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000271035337 1141298401 /nfs/dbraw/zinc/29/84/01/1141298401.db2.gz POMMMYXPGAVRNB-UHFFFAOYSA-N -1 3 349.814 3.725 20 0 EHADHM CC(C)CC[C@H](C)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000025427752 202131310 /nfs/dbraw/zinc/13/13/10/202131310.db2.gz BJPYUTHVUQXFRJ-VIFPVBQESA-N -1 3 340.308 3.614 20 0 EHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC(Cc2ccccc2)CC1 ZINC000028817930 202177984 /nfs/dbraw/zinc/17/79/84/202177984.db2.gz ZCNJFSANCWMBRR-UHFFFAOYSA-N -1 3 346.430 3.623 20 0 EHADHM CCc1ccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1 ZINC000032605781 202228440 /nfs/dbraw/zinc/22/84/40/202228440.db2.gz VLWBTOANZJPRMO-UHFFFAOYSA-N -1 3 326.783 3.996 20 0 EHADHM CCc1ccc(NC(=O)c2cnc3c(Cl)cccc3c2[O-])cc1 ZINC000032605781 202228444 /nfs/dbraw/zinc/22/84/44/202228444.db2.gz VLWBTOANZJPRMO-UHFFFAOYSA-N -1 3 326.783 3.996 20 0 EHADHM CC(C)CCc1nnc([N-]C(=O)c2cc3c(s2)CCOC3)s1 ZINC000617096454 480092744 /nfs/dbraw/zinc/09/27/44/480092744.db2.gz VNVFKSFJNPOKHM-UHFFFAOYSA-N -1 3 337.470 3.513 20 0 EHADHM O=C([O-])C[C@H]1CCCN(Cc2cc(Cl)cc3cccnc32)CC1 ZINC000299744403 564150593 /nfs/dbraw/zinc/15/05/93/564150593.db2.gz ONLRXDNCWAAMSR-ZDUSSCGKSA-N -1 3 332.831 3.965 20 0 EHADHM Cc1cc(C)cc(NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737250400 598851541 /nfs/dbraw/zinc/85/15/41/598851541.db2.gz LIHUJFFCPLMZKJ-UHFFFAOYSA-N -1 3 342.790 3.781 20 0 EHADHM Cc1cc(C)cc(NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737250400 598851543 /nfs/dbraw/zinc/85/15/43/598851543.db2.gz LIHUJFFCPLMZKJ-UHFFFAOYSA-N -1 3 342.790 3.781 20 0 EHADHM CC[C@H](CC1CCCC1)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000736350892 598922859 /nfs/dbraw/zinc/92/28/59/598922859.db2.gz OMHZRDXWFVCDBJ-CYBMUJFWSA-N -1 3 346.406 3.656 20 0 EHADHM CC[C@H](CC1CCCC1)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000736350892 598922861 /nfs/dbraw/zinc/92/28/61/598922861.db2.gz OMHZRDXWFVCDBJ-CYBMUJFWSA-N -1 3 346.406 3.656 20 0 EHADHM CCc1c(C)sc(NC(=O)C=C2CCC(C)CC2)c1-c1nnn[n-]1 ZINC000736671275 598927439 /nfs/dbraw/zinc/92/74/39/598927439.db2.gz VZLZFWZDIIRLBW-UHFFFAOYSA-N -1 3 345.472 3.874 20 0 EHADHM CCc1c(C)sc(NC(=O)C=C2CCC(C)CC2)c1-c1nn[n-]n1 ZINC000736671275 598927441 /nfs/dbraw/zinc/92/74/41/598927441.db2.gz VZLZFWZDIIRLBW-UHFFFAOYSA-N -1 3 345.472 3.874 20 0 EHADHM Cc1ccc(-c2ncc(C=Cc3ccc(-c4nnn[n-]4)cn3)s2)cc1 ZINC000737288490 598978310 /nfs/dbraw/zinc/97/83/10/598978310.db2.gz NRQWGMCNAXDCEN-CMDGGOBGSA-N -1 3 346.419 3.864 20 0 EHADHM Cc1ccc(-c2ncc(C=Cc3ccc(-c4nn[n-]n4)cn3)s2)cc1 ZINC000737288490 598978312 /nfs/dbraw/zinc/97/83/12/598978312.db2.gz NRQWGMCNAXDCEN-CMDGGOBGSA-N -1 3 346.419 3.864 20 0 EHADHM CC(C)CC[C@H](C)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000735798681 599048246 /nfs/dbraw/zinc/04/82/46/599048246.db2.gz YAJFHDWVNFNAFN-VIFPVBQESA-N -1 3 328.342 3.517 20 0 EHADHM CC(C)CC[C@H](C)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000735798681 599048249 /nfs/dbraw/zinc/04/82/49/599048249.db2.gz YAJFHDWVNFNAFN-VIFPVBQESA-N -1 3 328.342 3.517 20 0 EHADHM C[C@H]1CN(c2ccc(F)cc2-c2nnn[n-]2)CC[C@H]1c1ccccc1 ZINC000820774839 599050947 /nfs/dbraw/zinc/05/09/47/599050947.db2.gz GJOWIBHVIQGLBG-XJKSGUPXSA-N -1 3 337.402 3.636 20 0 EHADHM C[C@H]1CN(c2ccc(F)cc2-c2nn[n-]n2)CC[C@H]1c1ccccc1 ZINC000820774839 599050950 /nfs/dbraw/zinc/05/09/50/599050950.db2.gz GJOWIBHVIQGLBG-XJKSGUPXSA-N -1 3 337.402 3.636 20 0 EHADHM Clc1ccc2[nH]cc(CCNc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000822581198 599065999 /nfs/dbraw/zinc/06/59/99/599065999.db2.gz DKAJDLAYXZLOQU-UHFFFAOYSA-N -1 3 338.802 3.656 20 0 EHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C2CCCCCCC2)s1 ZINC000736679050 599071823 /nfs/dbraw/zinc/07/18/23/599071823.db2.gz JQVLICXNYXPXPZ-UHFFFAOYSA-N -1 3 333.461 3.790 20 0 EHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C2CCCCCCC2)s1 ZINC000736679050 599071824 /nfs/dbraw/zinc/07/18/24/599071824.db2.gz JQVLICXNYXPXPZ-UHFFFAOYSA-N -1 3 333.461 3.790 20 0 EHADHM COc1ccc(C=Cc2ccc3cc(C)ccc3n2)cc1-c1nnn[n-]1 ZINC000737082786 599153694 /nfs/dbraw/zinc/15/36/94/599153694.db2.gz ZGMHQOZAZSQMMX-QPJJXVBHSA-N -1 3 343.390 3.902 20 0 EHADHM COc1ccc(C=Cc2ccc3cc(C)ccc3n2)cc1-c1nn[n-]n1 ZINC000737082786 599153697 /nfs/dbraw/zinc/15/36/97/599153697.db2.gz ZGMHQOZAZSQMMX-QPJJXVBHSA-N -1 3 343.390 3.902 20 0 EHADHM Cc1ccc([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000737332037 599172507 /nfs/dbraw/zinc/17/25/07/599172507.db2.gz NRBPWWCHIXSCGJ-AWEZNQCLSA-N -1 3 329.791 3.763 20 0 EHADHM Cc1ccc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000737332037 599172509 /nfs/dbraw/zinc/17/25/09/599172509.db2.gz NRBPWWCHIXSCGJ-AWEZNQCLSA-N -1 3 329.791 3.763 20 0 EHADHM O=C([O-])c1ccc(CNCc2cccc(OC(F)(F)F)c2)cc1 ZINC000426708971 597135764 /nfs/dbraw/zinc/13/57/64/597135764.db2.gz PBFDLBORJMGUOP-UHFFFAOYSA-N -1 3 325.286 3.573 20 0 EHADHM CCC[C@H](C)[C@H]1CCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821014418 607288778 /nfs/dbraw/zinc/28/87/78/607288778.db2.gz GVKOSNXACNUCFZ-BLLLJJGKSA-N -1 3 342.447 3.608 20 0 EHADHM CCC[C@H](C)[C@H]1CCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821014418 607288779 /nfs/dbraw/zinc/28/87/79/607288779.db2.gz GVKOSNXACNUCFZ-BLLLJJGKSA-N -1 3 342.447 3.608 20 0 EHADHM CCOc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1Cl ZINC000821421692 607308883 /nfs/dbraw/zinc/30/88/83/607308883.db2.gz CQTXNBQQXSUUKW-UHFFFAOYSA-N -1 3 335.820 3.592 20 0 EHADHM CCOc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1Cl ZINC000821421692 607308884 /nfs/dbraw/zinc/30/88/84/607308884.db2.gz CQTXNBQQXSUUKW-UHFFFAOYSA-N -1 3 335.820 3.592 20 0 EHADHM c1csc(-c2cccc(NCc3ccc(-c4nnn[n-]4)s3)c2)n1 ZINC000823756566 607313542 /nfs/dbraw/zinc/31/35/42/607313542.db2.gz CCJPZWJOPZKCPS-UHFFFAOYSA-N -1 3 340.437 3.664 20 0 EHADHM CSc1ccc(Cl)cc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000821983906 607314171 /nfs/dbraw/zinc/31/41/71/607314171.db2.gz KJQFWKIODPPVGZ-UHFFFAOYSA-N -1 3 337.861 3.916 20 0 EHADHM CCSCc1cccc(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821460967 607317383 /nfs/dbraw/zinc/31/73/83/607317383.db2.gz HNVNUQFMPCHSLF-UHFFFAOYSA-N -1 3 325.441 3.732 20 0 EHADHM CCSCc1cccc(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821460967 607317384 /nfs/dbraw/zinc/31/73/84/607317384.db2.gz HNVNUQFMPCHSLF-UHFFFAOYSA-N -1 3 325.441 3.732 20 0 EHADHM Clc1cc(N[C@@H]2CSc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737564732 599268928 /nfs/dbraw/zinc/26/89/28/599268928.db2.gz JTUYYGHVYBSLGG-CYBMUJFWSA-N -1 3 329.816 3.779 20 0 EHADHM Clc1cc(N[C@@H]2CSc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737564732 599268930 /nfs/dbraw/zinc/26/89/30/599268930.db2.gz JTUYYGHVYBSLGG-CYBMUJFWSA-N -1 3 329.816 3.779 20 0 EHADHM C[C@H](Oc1ccc2c(c1)CCCC2=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736174810 599289332 /nfs/dbraw/zinc/28/93/32/599289332.db2.gz OTPVECBMRATMKA-LBPRGKRZSA-N -1 3 334.379 3.526 20 0 EHADHM C[C@H](Oc1ccc2c(c1)CCCC2=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736174810 599289334 /nfs/dbraw/zinc/28/93/34/599289334.db2.gz OTPVECBMRATMKA-LBPRGKRZSA-N -1 3 334.379 3.526 20 0 EHADHM Cc1ccc(/C=C/CC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000822233074 607321518 /nfs/dbraw/zinc/32/15/18/607321518.db2.gz HPJJBCBNMQWXCD-HWKANZROSA-N -1 3 333.395 3.526 20 0 EHADHM Cc1ccc(/C=C/CC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000822233074 607321519 /nfs/dbraw/zinc/32/15/19/607321519.db2.gz HPJJBCBNMQWXCD-HWKANZROSA-N -1 3 333.395 3.526 20 0 EHADHM C[C@@H](Cc1ccc(Cl)cc1Cl)Nc1ncccc1-c1nnn[n-]1 ZINC000736054812 598245124 /nfs/dbraw/zinc/24/51/24/598245124.db2.gz AJVDTBRUUQVYKE-VIFPVBQESA-N -1 3 349.225 3.612 20 0 EHADHM C[C@@H](Cc1ccc(Cl)cc1Cl)Nc1ncccc1-c1nn[n-]n1 ZINC000736054812 598245126 /nfs/dbraw/zinc/24/51/26/598245126.db2.gz AJVDTBRUUQVYKE-VIFPVBQESA-N -1 3 349.225 3.612 20 0 EHADHM Cc1nnc(Nc2cccc(-c3cccs3)c2)c(-c2nnn[n-]2)c1C ZINC000737535123 598246935 /nfs/dbraw/zinc/24/69/35/598246935.db2.gz ZIKHMSFKDDDLRX-UHFFFAOYSA-N -1 3 349.423 3.746 20 0 EHADHM Cc1nnc(Nc2cccc(-c3cccs3)c2)c(-c2nn[n-]n2)c1C ZINC000737535123 598246936 /nfs/dbraw/zinc/24/69/36/598246936.db2.gz ZIKHMSFKDDDLRX-UHFFFAOYSA-N -1 3 349.423 3.746 20 0 EHADHM COc1ccc(Cl)cc1CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000737098900 598362660 /nfs/dbraw/zinc/36/26/60/598362660.db2.gz HYSNKAPWMDYMGH-UHFFFAOYSA-N -1 3 346.843 3.962 20 0 EHADHM COc1ccc(Cl)cc1CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000737098900 598362661 /nfs/dbraw/zinc/36/26/61/598362661.db2.gz HYSNKAPWMDYMGH-UHFFFAOYSA-N -1 3 346.843 3.962 20 0 EHADHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(Cl)cc1 ZINC000736138722 598386260 /nfs/dbraw/zinc/38/62/60/598386260.db2.gz QXVXOFPSKBBKKI-QMMMGPOBSA-N -1 3 335.198 3.742 20 0 EHADHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(Cl)cc1 ZINC000736138722 598386261 /nfs/dbraw/zinc/38/62/61/598386261.db2.gz QXVXOFPSKBBKKI-QMMMGPOBSA-N -1 3 335.198 3.742 20 0 EHADHM Cc1ccc([C@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1C ZINC000737320927 598392625 /nfs/dbraw/zinc/39/26/25/598392625.db2.gz RGDKVMZQXAKBLS-NSHDSACASA-N -1 3 328.807 3.705 20 0 EHADHM Cc1ccc([C@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1C ZINC000737320927 598392627 /nfs/dbraw/zinc/39/26/27/598392627.db2.gz RGDKVMZQXAKBLS-NSHDSACASA-N -1 3 328.807 3.705 20 0 EHADHM CCN(C(=O)CC1=CCCCC1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501811 598395623 /nfs/dbraw/zinc/39/56/23/598395623.db2.gz GRDSGCQYCNOOCY-CQSZACIVSA-N -1 3 339.443 3.667 20 0 EHADHM CCN(C(=O)CC1=CCCCC1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501811 598395624 /nfs/dbraw/zinc/39/56/24/598395624.db2.gz GRDSGCQYCNOOCY-CQSZACIVSA-N -1 3 339.443 3.667 20 0 EHADHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1Cl ZINC000737196444 598416590 /nfs/dbraw/zinc/41/65/90/598416590.db2.gz JDNUUCBOGHBLFJ-VIFPVBQESA-N -1 3 346.749 3.577 20 0 EHADHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1Cl ZINC000737196444 598416591 /nfs/dbraw/zinc/41/65/91/598416591.db2.gz JDNUUCBOGHBLFJ-VIFPVBQESA-N -1 3 346.749 3.577 20 0 EHADHM C[C@@H]1C[C@@H](CC(=O)N(C)c2cccc(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000736224784 598443813 /nfs/dbraw/zinc/44/38/13/598443813.db2.gz APFYRLVVOQDQHL-KGLIPLIRSA-N -1 3 341.459 3.682 20 0 EHADHM C[C@@H]1C[C@@H](CC(=O)N(C)c2cccc(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000736224784 598443815 /nfs/dbraw/zinc/44/38/15/598443815.db2.gz APFYRLVVOQDQHL-KGLIPLIRSA-N -1 3 341.459 3.682 20 0 EHADHM C[C@H]1C[C@@H]1c1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000736236264 598654276 /nfs/dbraw/zinc/65/42/76/598654276.db2.gz IVMBNSTZIKBTOM-ZANVPECISA-N -1 3 329.791 3.849 20 0 EHADHM C[C@H]1C[C@@H]1c1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000736236264 598654279 /nfs/dbraw/zinc/65/42/79/598654279.db2.gz IVMBNSTZIKBTOM-ZANVPECISA-N -1 3 329.791 3.849 20 0 EHADHM COc1cccc([C@H](C)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737129423 598654955 /nfs/dbraw/zinc/65/49/55/598654955.db2.gz ZOVJEYLABTVYLN-JTQLQIEISA-N -1 3 329.791 3.702 20 0 EHADHM COc1cccc([C@H](C)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737129423 598654957 /nfs/dbraw/zinc/65/49/57/598654957.db2.gz ZOVJEYLABTVYLN-JTQLQIEISA-N -1 3 329.791 3.702 20 0 EHADHM C[C@@H](CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1)CC(C)(C)C ZINC000735974352 598709376 /nfs/dbraw/zinc/70/93/76/598709376.db2.gz CASBOPSYLVENPN-NSHDSACASA-N -1 3 334.395 3.511 20 0 EHADHM C[C@@H](CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1)CC(C)(C)C ZINC000735974352 598709377 /nfs/dbraw/zinc/70/93/77/598709377.db2.gz CASBOPSYLVENPN-NSHDSACASA-N -1 3 334.395 3.511 20 0 EHADHM CCC(=CC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736303144 598786042 /nfs/dbraw/zinc/78/60/42/598786042.db2.gz IGGCAIFERDGMQS-SXWSKBOKSA-N -1 3 348.406 3.965 20 0 EHADHM CCC(=CC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736303144 598786044 /nfs/dbraw/zinc/78/60/44/598786044.db2.gz IGGCAIFERDGMQS-SXWSKBOKSA-N -1 3 348.406 3.965 20 0 EHADHM CC(C)Oc1c(Cl)cccc1NCc1ccccc1-c1nnn[n-]1 ZINC000735904883 599305668 /nfs/dbraw/zinc/30/56/68/599305668.db2.gz VJGKNRISCSBVJL-UHFFFAOYSA-N -1 3 343.818 3.919 20 0 EHADHM CC(C)Oc1c(Cl)cccc1NCc1ccccc1-c1nn[n-]n1 ZINC000735904883 599305670 /nfs/dbraw/zinc/30/56/70/599305670.db2.gz VJGKNRISCSBVJL-UHFFFAOYSA-N -1 3 343.818 3.919 20 0 EHADHM CCOc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000821422385 599369579 /nfs/dbraw/zinc/36/95/79/599369579.db2.gz WKQGDOOYAQKGRR-NSHDSACASA-N -1 3 327.363 3.578 20 0 EHADHM CCOc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000821422385 599369580 /nfs/dbraw/zinc/36/95/80/599369580.db2.gz WKQGDOOYAQKGRR-NSHDSACASA-N -1 3 327.363 3.578 20 0 EHADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1cc(-c2ccccc2)on1 ZINC000822130858 599387496 /nfs/dbraw/zinc/38/74/96/599387496.db2.gz ZDYCXABYTZOVMG-UHFFFAOYSA-N -1 3 347.378 3.718 20 0 EHADHM C[C@@H](Cc1cccs1)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736065407 599406192 /nfs/dbraw/zinc/40/61/92/599406192.db2.gz DGJHHLTXPAJUJI-NSHDSACASA-N -1 3 336.424 3.520 20 0 EHADHM C[C@@H](Cc1cccs1)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736065407 599406194 /nfs/dbraw/zinc/40/61/94/599406194.db2.gz DGJHHLTXPAJUJI-NSHDSACASA-N -1 3 336.424 3.520 20 0 EHADHM COc1ccc(-c2nn[n-]n2)cc1CSc1ccc2ccccc2n1 ZINC000821752555 607376373 /nfs/dbraw/zinc/37/63/73/607376373.db2.gz OBWOQZQTHZSPMX-UHFFFAOYSA-N -1 3 349.419 3.716 20 0 EHADHM CCCC[C@@H](COC)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736438142 599442662 /nfs/dbraw/zinc/44/26/62/599442662.db2.gz MEVUTCRNTFHTNE-NSHDSACASA-N -1 3 343.353 3.503 20 0 EHADHM CCCC[C@@H](COC)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736438142 599442664 /nfs/dbraw/zinc/44/26/64/599442664.db2.gz MEVUTCRNTFHTNE-NSHDSACASA-N -1 3 343.353 3.503 20 0 EHADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1ccc(-c2nn[n-]n2)cc1F ZINC000736237603 599472580 /nfs/dbraw/zinc/47/25/80/599472580.db2.gz YBBUHOJRGHTPER-FZMZJTMJSA-N -1 3 341.365 3.527 20 0 EHADHM CC[C@@H](CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820882003 599534171 /nfs/dbraw/zinc/53/41/71/599534171.db2.gz HKPZZHDEZQIVTL-GJZGRUSLSA-N -1 3 349.438 3.628 20 0 EHADHM CC[C@@H](CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820882003 599534174 /nfs/dbraw/zinc/53/41/74/599534174.db2.gz HKPZZHDEZQIVTL-GJZGRUSLSA-N -1 3 349.438 3.628 20 0 EHADHM C[C@H](NC(=O)c1cc2ccccc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820392365 599536872 /nfs/dbraw/zinc/53/68/72/599536872.db2.gz UYLDMPCDXXIRDA-NSHDSACASA-N -1 3 349.419 3.572 20 0 EHADHM C[C@H](NC(=O)c1cc2ccccc2s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820392365 599536875 /nfs/dbraw/zinc/53/68/75/599536875.db2.gz UYLDMPCDXXIRDA-NSHDSACASA-N -1 3 349.419 3.572 20 0 EHADHM C[C@H]1CCc2c(sc(NC(=O)CCC(C)(C)C)c2-c2nnn[n-]2)C1 ZINC000736278996 599539231 /nfs/dbraw/zinc/53/92/31/599539231.db2.gz ISAHPHZEXKNGGO-JTQLQIEISA-N -1 3 347.488 3.818 20 0 EHADHM C[C@H]1CCc2c(sc(NC(=O)CCC(C)(C)C)c2-c2nn[n-]n2)C1 ZINC000736278996 599539234 /nfs/dbraw/zinc/53/92/34/599539234.db2.gz ISAHPHZEXKNGGO-JTQLQIEISA-N -1 3 347.488 3.818 20 0 EHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC2(CCCC2)CC1 ZINC000822333112 599566417 /nfs/dbraw/zinc/56/64/17/599566417.db2.gz WYAKBEUCBJGLRO-UHFFFAOYSA-N -1 3 348.454 3.884 20 0 EHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCC2(CCCC2)CC1 ZINC000822333112 599566420 /nfs/dbraw/zinc/56/64/20/599566420.db2.gz WYAKBEUCBJGLRO-UHFFFAOYSA-N -1 3 348.454 3.884 20 0 EHADHM Cc1ccc([C@H]2CCCCN2c2ncc(-c3nnn[n-]3)cc2Cl)o1 ZINC000822233707 599579767 /nfs/dbraw/zinc/57/97/67/599579767.db2.gz TWJMWMMOTKENCI-CYBMUJFWSA-N -1 3 344.806 3.548 20 0 EHADHM Cc1ccc([C@H]2CCCCN2c2ncc(-c3nn[n-]n3)cc2Cl)o1 ZINC000822233707 599579769 /nfs/dbraw/zinc/57/97/69/599579769.db2.gz TWJMWMMOTKENCI-CYBMUJFWSA-N -1 3 344.806 3.548 20 0 EHADHM C[C@H](OC(=O)c1cccc(F)c1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820512085 599621361 /nfs/dbraw/zinc/62/13/61/599621361.db2.gz GNAHBGWZNJPHAO-VIFPVBQESA-N -1 3 346.749 3.577 20 0 EHADHM C[C@H](OC(=O)c1cccc(F)c1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820512085 599621362 /nfs/dbraw/zinc/62/13/62/599621362.db2.gz GNAHBGWZNJPHAO-VIFPVBQESA-N -1 3 346.749 3.577 20 0 EHADHM CCC(C)(C)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000820847551 599689847 /nfs/dbraw/zinc/68/98/47/599689847.db2.gz GTJGAVMEEWUQBB-UHFFFAOYSA-N -1 3 347.488 3.962 20 0 EHADHM CCC(C)(C)CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000820847551 599689848 /nfs/dbraw/zinc/68/98/48/599689848.db2.gz GTJGAVMEEWUQBB-UHFFFAOYSA-N -1 3 347.488 3.962 20 0 EHADHM Cc1nc2c(s1)[C@H](N(C)Cc1ccc(F)cc1C(=O)[O-])CCC2 ZINC000581374777 600336173 /nfs/dbraw/zinc/33/61/73/600336173.db2.gz ANKGLBVDHUMHFH-OAHLLOKOSA-N -1 3 334.416 3.798 20 0 EHADHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(Cl)c1)c1ccc2c(c1)OCO2 ZINC000736660727 600420484 /nfs/dbraw/zinc/42/04/84/600420484.db2.gz ATYALUZDJGWGAH-MGPLVRAMSA-N -1 3 333.771 3.545 20 0 EHADHM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(OC(F)F)cc1 ZINC000736662647 600420584 /nfs/dbraw/zinc/42/05/84/600420584.db2.gz QSXAYJZHIOQXME-MEBBXXQBSA-N -1 3 339.313 3.904 20 0 EHADHM CCOCc1ccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000737177703 600421649 /nfs/dbraw/zinc/42/16/49/600421649.db2.gz HNQKWVJOICAXMH-KRWDZBQOSA-N -1 3 333.815 3.792 20 0 EHADHM CCCCOc1cccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000736999764 600424403 /nfs/dbraw/zinc/42/44/03/600424403.db2.gz HTQHOUBYKPMAAK-SFHVURJKSA-N -1 3 331.387 3.920 20 0 EHADHM COCc1cc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)ccc1F ZINC000737828869 600435452 /nfs/dbraw/zinc/43/54/52/600435452.db2.gz AVNOLHLWPTWSBV-MRXNPFEDSA-N -1 3 337.778 3.541 20 0 EHADHM COc1ccc(C2CCN(Cc3cc(C)c(C(=O)[O-])o3)CC2)cc1 ZINC000569582849 600798578 /nfs/dbraw/zinc/79/85/78/600798578.db2.gz CRRLLIYFLUOOIC-UHFFFAOYSA-N -1 3 329.396 3.674 20 0 EHADHM Cc1cccc(C2(O)CCN([C@@H](C)c3ccc(C(=O)[O-])o3)CC2)c1C ZINC000738687174 600974748 /nfs/dbraw/zinc/97/47/48/600974748.db2.gz GXBWRZOUKYONPP-HNNXBMFYSA-N -1 3 343.423 3.639 20 0 EHADHM O=C([O-])[C@H](c1ccccc1F)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000578995755 601010615 /nfs/dbraw/zinc/01/06/15/601010615.db2.gz SROZAGSPDQYUDM-SFHVURJKSA-N -1 3 347.361 3.634 20 0 EHADHM COc1ccc([C@@H](NC/C=C(\C)C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000832252546 601166879 /nfs/dbraw/zinc/16/68/79/601166879.db2.gz PNNALFQEQZLLTO-YLZCUGDYSA-N -1 3 329.371 3.544 20 0 EHADHM COc1ccc(Cl)cc1CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832367427 601206459 /nfs/dbraw/zinc/20/64/59/601206459.db2.gz DELRXVJNRTXXLJ-PXAZEXFGSA-N -1 3 333.815 3.900 20 0 EHADHM CN(Cc1ccc(C(=O)[O-])s1)Cc1cccc(Br)c1 ZINC000109601714 601944159 /nfs/dbraw/zinc/94/41/59/601944159.db2.gz FBPKPLAPYQGMGF-UHFFFAOYSA-N -1 3 340.242 3.841 20 0 EHADHM CO[C@H](CN[C@@H](C(=O)[O-])c1ccccc1F)c1ccccc1Cl ZINC000831519384 601978563 /nfs/dbraw/zinc/97/85/63/601978563.db2.gz NJZQMYRQOVHGBT-HZPDHXFCSA-N -1 3 337.778 3.582 20 0 EHADHM Cc1cc(-c2nnn[n-]2)ccc1-c1nc(-c2cccc(Cl)c2)no1 ZINC000826243450 607658196 /nfs/dbraw/zinc/65/81/96/607658196.db2.gz IXQIUSCFNBIWSI-UHFFFAOYSA-N -1 3 338.758 3.546 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1-c1nc(-c2cccc(Cl)c2)no1 ZINC000826243450 607658198 /nfs/dbraw/zinc/65/81/98/607658198.db2.gz IXQIUSCFNBIWSI-UHFFFAOYSA-N -1 3 338.758 3.546 20 0 EHADHM CC(C)c1ccccc1NC(=O)C[C@H](C)NCc1ccc(C(=O)[O-])o1 ZINC000827241517 604329710 /nfs/dbraw/zinc/32/97/10/604329710.db2.gz WUOUAQCFZVHULX-ZDUSSCGKSA-N -1 3 344.411 3.608 20 0 EHADHM CC[C@H](C)Oc1cc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)ccc1OC ZINC000833641409 604647191 /nfs/dbraw/zinc/64/71/91/604647191.db2.gz YBNBCHDMGOEPCJ-GOEBONIOSA-N -1 3 347.455 3.559 20 0 EHADHM Clc1cccc2c1CC[C@H]2Sc1cc(-c2nnn[n-]2)ccn1 ZINC000826353494 607712434 /nfs/dbraw/zinc/71/24/34/607712434.db2.gz RJVXTEQOSLDLFU-CYBMUJFWSA-N -1 3 329.816 3.695 20 0 EHADHM Clc1cccc2c1CC[C@H]2Sc1cc(-c2nn[n-]n2)ccn1 ZINC000826353494 607712437 /nfs/dbraw/zinc/71/24/37/607712437.db2.gz RJVXTEQOSLDLFU-CYBMUJFWSA-N -1 3 329.816 3.695 20 0 EHADHM C[C@]1(NCc2nnc(-c3ccc(Cl)cc3)o2)CCCC[C@H]1C(=O)[O-] ZINC000833570941 604819336 /nfs/dbraw/zinc/81/93/36/604819336.db2.gz WQQSOIYGFKOZBY-GUYCJALGSA-N -1 3 349.818 3.513 20 0 EHADHM C[C@]1(NCc2nnc(-c3ccccc3Cl)o2)CCCC[C@H]1C(=O)[O-] ZINC000833571385 605071749 /nfs/dbraw/zinc/07/17/49/605071749.db2.gz XTVBXLFIPINNDE-SJCJKPOMSA-N -1 3 349.818 3.513 20 0 EHADHM C[C@H](C1CC1)N(Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)C1CC1 ZINC000571290368 605203515 /nfs/dbraw/zinc/20/35/15/605203515.db2.gz DLTZPFNAHRCFRF-GFCCVEGCSA-N -1 3 326.396 3.803 20 0 EHADHM C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000833547174 605293949 /nfs/dbraw/zinc/29/39/49/605293949.db2.gz BBBJGQLGMBXENP-LBPRGKRZSA-N -1 3 335.350 3.621 20 0 EHADHM C[C@@H]1CC[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000824915741 607757419 /nfs/dbraw/zinc/75/74/19/607757419.db2.gz IAHQIPFLESBYNZ-PXAZEXFGSA-N -1 3 348.410 3.627 20 0 EHADHM C[C@@H]1CC[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000824915741 607757420 /nfs/dbraw/zinc/75/74/20/607757420.db2.gz IAHQIPFLESBYNZ-PXAZEXFGSA-N -1 3 348.410 3.627 20 0 EHADHM O=C([O-])Nc1ccc(CN2CC[C@@H](CSc3ccccc3)C2)cn1 ZINC000834259448 605614899 /nfs/dbraw/zinc/61/48/99/605614899.db2.gz ZPTAMMIQVHAIOJ-OAHLLOKOSA-N -1 3 343.452 3.786 20 0 EHADHM O=C([O-])N[C@H]1C[C@H](NCc2cccc3cccnc32)c2ccccc21 ZINC000834159600 605798270 /nfs/dbraw/zinc/79/82/70/605798270.db2.gz VKLIOCVFVYHEFY-ROUUACIJSA-N -1 3 333.391 3.778 20 0 EHADHM c1nc(NCc2ccc(-c3nnn[n-]3)cc2)sc1-c1ccccc1 ZINC000823766893 606222423 /nfs/dbraw/zinc/22/24/23/606222423.db2.gz LESGKSWUSNGGQF-UHFFFAOYSA-N -1 3 334.408 3.602 20 0 EHADHM c1nc(NCc2ccc(-c3nn[n-]n3)cc2)sc1-c1ccccc1 ZINC000823766893 606222425 /nfs/dbraw/zinc/22/24/25/606222425.db2.gz LESGKSWUSNGGQF-UHFFFAOYSA-N -1 3 334.408 3.602 20 0 EHADHM CC(C)[C@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccnc1 ZINC000820021719 606228895 /nfs/dbraw/zinc/22/88/95/606228895.db2.gz XUUHOTYIKYHSLK-HNNXBMFYSA-N -1 3 342.834 3.767 20 0 EHADHM CC(C)[C@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccnc1 ZINC000820021719 606228897 /nfs/dbraw/zinc/22/88/97/606228897.db2.gz XUUHOTYIKYHSLK-HNNXBMFYSA-N -1 3 342.834 3.767 20 0 EHADHM CSc1ccc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821978824 606345219 /nfs/dbraw/zinc/34/52/19/606345219.db2.gz NALRLMMKEMTUAH-NSHDSACASA-N -1 3 340.408 3.507 20 0 EHADHM CSc1ccc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821978824 606345221 /nfs/dbraw/zinc/34/52/21/606345221.db2.gz NALRLMMKEMTUAH-NSHDSACASA-N -1 3 340.408 3.507 20 0 EHADHM C[C@H](OC(=O)CC/C=C\c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820496711 606355837 /nfs/dbraw/zinc/35/58/37/606355837.db2.gz OONGIWVGQDHZED-ZHMISCPASA-N -1 3 348.406 3.965 20 0 EHADHM C[C@H](OC(=O)CC/C=C\c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820496711 606355840 /nfs/dbraw/zinc/35/58/40/606355840.db2.gz OONGIWVGQDHZED-ZHMISCPASA-N -1 3 348.406 3.965 20 0 EHADHM CC(C)n1ccnc1CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820549799 606362807 /nfs/dbraw/zinc/36/28/07/606362807.db2.gz ROESKGSJYDGXFC-LBPRGKRZSA-N -1 3 328.445 3.639 20 0 EHADHM CC(C)n1ccnc1CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820549799 606362810 /nfs/dbraw/zinc/36/28/10/606362810.db2.gz ROESKGSJYDGXFC-LBPRGKRZSA-N -1 3 328.445 3.639 20 0 EHADHM COc1ccc([C@H](C)Nc2c(Cl)cccc2-c2nnn[n-]2)cc1F ZINC000821778149 606422855 /nfs/dbraw/zinc/42/28/55/606422855.db2.gz VOHOASMKLUDVGP-VIFPVBQESA-N -1 3 347.781 3.841 20 0 EHADHM COc1ccc([C@H](C)Nc2c(Cl)cccc2-c2nn[n-]n2)cc1F ZINC000821778149 606422857 /nfs/dbraw/zinc/42/28/57/606422857.db2.gz VOHOASMKLUDVGP-VIFPVBQESA-N -1 3 347.781 3.841 20 0 EHADHM C[C@H]1c2ccsc2CCN1c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000820826146 606443028 /nfs/dbraw/zinc/44/30/28/606443028.db2.gz JWLWDTVGKBJYMS-NSHDSACASA-N -1 3 348.435 3.600 20 0 EHADHM C[C@H]1c2ccsc2CCN1c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000820826146 606443029 /nfs/dbraw/zinc/44/30/29/606443029.db2.gz JWLWDTVGKBJYMS-NSHDSACASA-N -1 3 348.435 3.600 20 0 EHADHM CCC1(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)CC1 ZINC000820950318 606519729 /nfs/dbraw/zinc/51/97/29/606519729.db2.gz MERIXQKEVXTSMX-UHFFFAOYSA-N -1 3 334.379 3.629 20 0 EHADHM CCC1(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)CC1 ZINC000820950318 606519731 /nfs/dbraw/zinc/51/97/31/606519731.db2.gz MERIXQKEVXTSMX-UHFFFAOYSA-N -1 3 334.379 3.629 20 0 EHADHM FC(F)(F)c1csc(Oc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000822728312 606757550 /nfs/dbraw/zinc/75/75/50/606757550.db2.gz GNCCKEFRSNYJMI-UHFFFAOYSA-N -1 3 347.709 3.788 20 0 EHADHM FC(F)(F)c1csc(Oc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000822728312 606757552 /nfs/dbraw/zinc/75/75/52/606757552.db2.gz GNCCKEFRSNYJMI-UHFFFAOYSA-N -1 3 347.709 3.788 20 0 EHADHM CC(C)(C)c1cnc(SCc2cc(-c3nnn[n-]3)ccc2F)o1 ZINC000819966036 606786326 /nfs/dbraw/zinc/78/63/26/606786326.db2.gz TVBZOEXTYQDNBL-UHFFFAOYSA-N -1 3 333.392 3.584 20 0 EHADHM CC(C)(C)c1cnc(SCc2cc(-c3nn[n-]n3)ccc2F)o1 ZINC000819966036 606786328 /nfs/dbraw/zinc/78/63/28/606786328.db2.gz TVBZOEXTYQDNBL-UHFFFAOYSA-N -1 3 333.392 3.584 20 0 EHADHM CC(C)Oc1ccc(F)cc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820155459 606928977 /nfs/dbraw/zinc/92/89/77/606928977.db2.gz QCHXZNNKSAIXEE-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM CC(C)Oc1ccc(F)cc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820155459 606928979 /nfs/dbraw/zinc/92/89/79/606928979.db2.gz QCHXZNNKSAIXEE-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM Fc1ccc(CN2CCCSc3ccccc32)cc1-c1nnn[n-]1 ZINC000822772379 606960528 /nfs/dbraw/zinc/96/05/28/606960528.db2.gz WPVSCYSBFLRUAY-UHFFFAOYSA-N -1 3 341.415 3.508 20 0 EHADHM Fc1ccc(CN2CCCSc3ccccc32)cc1-c1nn[n-]n1 ZINC000822772379 606960529 /nfs/dbraw/zinc/96/05/29/606960529.db2.gz WPVSCYSBFLRUAY-UHFFFAOYSA-N -1 3 341.415 3.508 20 0 EHADHM Fc1ccc(-c2nnn[n-]2)c(CSc2ccc3ccccc3n2)c1 ZINC000822757621 607038270 /nfs/dbraw/zinc/03/82/70/607038270.db2.gz AJBARTGAUDQLQR-UHFFFAOYSA-N -1 3 337.383 3.846 20 0 EHADHM Fc1ccc(-c2nn[n-]n2)c(CSc2ccc3ccccc3n2)c1 ZINC000822757621 607038273 /nfs/dbraw/zinc/03/82/73/607038273.db2.gz AJBARTGAUDQLQR-UHFFFAOYSA-N -1 3 337.383 3.846 20 0 EHADHM CC[C@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1cc(F)ccc1F ZINC000820926866 607057863 /nfs/dbraw/zinc/05/78/63/607057863.db2.gz WUZWPFLQZGWRTM-INIZCTEOSA-N -1 3 347.344 3.525 20 0 EHADHM CC[C@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1cc(F)ccc1F ZINC000820926866 607057865 /nfs/dbraw/zinc/05/78/65/607057865.db2.gz WUZWPFLQZGWRTM-INIZCTEOSA-N -1 3 347.344 3.525 20 0 EHADHM COc1cccc2c1CC[C@H]2Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821877877 607119723 /nfs/dbraw/zinc/11/97/23/607119723.db2.gz YBKOEGSKXDQJJW-CQSZACIVSA-N -1 3 341.802 3.628 20 0 EHADHM COc1cccc2c1CC[C@H]2Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821877877 607119724 /nfs/dbraw/zinc/11/97/24/607119724.db2.gz YBKOEGSKXDQJJW-CQSZACIVSA-N -1 3 341.802 3.628 20 0 EHADHM CC(C)(C)c1csc(CNc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000819965400 607124606 /nfs/dbraw/zinc/12/46/06/607124606.db2.gz FKQHXFAENUQHNJ-UHFFFAOYSA-N -1 3 348.863 3.886 20 0 EHADHM CN(C(=O)C[C@H]1CCCCC1(C)C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825818227 607785734 /nfs/dbraw/zinc/78/57/34/607785734.db2.gz XWGRCOCMXOSFIT-CYBMUJFWSA-N -1 3 345.422 3.575 20 0 EHADHM CN(C(=O)C[C@H]1CCCCC1(C)C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825818227 607785735 /nfs/dbraw/zinc/78/57/35/607785735.db2.gz XWGRCOCMXOSFIT-CYBMUJFWSA-N -1 3 345.422 3.575 20 0 EHADHM CC(C)(CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000151964209 607813688 /nfs/dbraw/zinc/81/36/88/607813688.db2.gz JYRFGIIAOAYSSY-UHFFFAOYSA-N -1 3 335.411 3.563 20 0 EHADHM CC(C)(CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000151964209 607813689 /nfs/dbraw/zinc/81/36/89/607813689.db2.gz JYRFGIIAOAYSSY-UHFFFAOYSA-N -1 3 335.411 3.563 20 0 EHADHM C[C@@H](NC(=O)C[C@H]1CCCC(C)(C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000824480058 607905951 /nfs/dbraw/zinc/90/59/51/607905951.db2.gz SBHBAJPSXQWIBV-ZIAGYGMSSA-N -1 3 341.459 3.650 20 0 EHADHM C[C@@H](NC(=O)C[C@H]1CCCC(C)(C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824480058 607905952 /nfs/dbraw/zinc/90/59/52/607905952.db2.gz SBHBAJPSXQWIBV-ZIAGYGMSSA-N -1 3 341.459 3.650 20 0 EHADHM CN(C(=O)[C@@H]1CCCC(C)(C)C1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825812782 607927288 /nfs/dbraw/zinc/92/72/88/607927288.db2.gz UERPHUGWRZNIDB-LLVKDONJSA-N -1 3 347.850 3.699 20 0 EHADHM CN(C(=O)[C@@H]1CCCC(C)(C)C1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825812782 607927289 /nfs/dbraw/zinc/92/72/89/607927289.db2.gz UERPHUGWRZNIDB-LLVKDONJSA-N -1 3 347.850 3.699 20 0 EHADHM CCC[C@@H](C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C)C(C)C ZINC000825225129 608119735 /nfs/dbraw/zinc/11/97/35/608119735.db2.gz MFGVCIWCGCQGBZ-QGZVFWFLSA-N -1 3 343.475 3.676 20 0 EHADHM CCC[C@@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C)C(C)C ZINC000825225129 608119736 /nfs/dbraw/zinc/11/97/36/608119736.db2.gz MFGVCIWCGCQGBZ-QGZVFWFLSA-N -1 3 343.475 3.676 20 0 EHADHM Clc1ccc(Cl)c(CSc2cccc(-c3nnn[n-]3)c2)n1 ZINC000826352057 608144255 /nfs/dbraw/zinc/14/42/55/608144255.db2.gz LTIUTIGUSYRMBO-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM Clc1ccc(Cl)c(CSc2cccc(-c3nn[n-]n3)c2)n1 ZINC000826352057 608144256 /nfs/dbraw/zinc/14/42/56/608144256.db2.gz LTIUTIGUSYRMBO-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM Clc1ccc(CSc2cccc(Cl)c2-c2nnn[n-]2)cn1 ZINC000826351838 608207515 /nfs/dbraw/zinc/20/75/15/608207515.db2.gz CQXKPLUHHHVXBI-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM Clc1ccc(CSc2cccc(Cl)c2-c2nn[n-]n2)cn1 ZINC000826351838 608207516 /nfs/dbraw/zinc/20/75/16/608207516.db2.gz CQXKPLUHHHVXBI-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM CCN(C(=O)[C@H]1CCC[C@@H](C)C1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825368038 608346521 /nfs/dbraw/zinc/34/65/21/608346521.db2.gz ZOYBCJSCVQQPHY-NEPJUHHUSA-N -1 3 347.850 3.699 20 0 EHADHM CCN(C(=O)[C@H]1CCC[C@@H](C)C1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825368038 608346522 /nfs/dbraw/zinc/34/65/22/608346522.db2.gz ZOYBCJSCVQQPHY-NEPJUHHUSA-N -1 3 347.850 3.699 20 0 EHADHM CC(C)(C)Oc1cccc(CSc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000824124639 608543732 /nfs/dbraw/zinc/54/37/32/608543732.db2.gz XPNQBYWIHKQQCC-UHFFFAOYSA-N -1 3 341.440 3.731 20 0 EHADHM CC(C)(C)Oc1cccc(CSc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000824124639 608543734 /nfs/dbraw/zinc/54/37/34/608543734.db2.gz XPNQBYWIHKQQCC-UHFFFAOYSA-N -1 3 341.440 3.731 20 0 EHADHM C(=Cc1ccc(-c2nnn[n-]2)cn1)c1ncc(-c2ccccc2)s1 ZINC000823861276 608876269 /nfs/dbraw/zinc/87/62/69/608876269.db2.gz CEIZLYNGJJJIIH-HJWRWDBZSA-N -1 3 332.392 3.556 20 0 EHADHM C(=Cc1ccc(-c2nn[n-]n2)cn1)c1ncc(-c2ccccc2)s1 ZINC000823861276 608876271 /nfs/dbraw/zinc/87/62/71/608876271.db2.gz CEIZLYNGJJJIIH-HJWRWDBZSA-N -1 3 332.392 3.556 20 0 EHADHM C[C@H](Nc1cccc(Br)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662420 609160900 /nfs/dbraw/zinc/16/09/00/609160900.db2.gz JTYDWQNXIGKMNB-JTQLQIEISA-N -1 3 344.216 3.802 20 0 EHADHM C[C@H](Nc1cccc(Br)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662420 609160901 /nfs/dbraw/zinc/16/09/01/609160901.db2.gz JTYDWQNXIGKMNB-JTQLQIEISA-N -1 3 344.216 3.802 20 0 EHADHM C[C@@H](Nc1ccc(N2CCCC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824656880 609161808 /nfs/dbraw/zinc/16/18/08/609161808.db2.gz NOZQLEQILXZVPJ-CQSZACIVSA-N -1 3 334.427 3.640 20 0 EHADHM CC(C)C[C@@H]1C[C@@H](Nc2ccc(Cl)cc2-c2nnn[n-]2)CCO1 ZINC000824244376 609170969 /nfs/dbraw/zinc/17/09/69/609170969.db2.gz QZGMVHZPMXPQGF-QWHCGFSZSA-N -1 3 335.839 3.526 20 0 EHADHM CC(C)C[C@@H]1C[C@@H](Nc2ccc(Cl)cc2-c2nn[n-]n2)CCO1 ZINC000824244376 609170970 /nfs/dbraw/zinc/17/09/70/609170970.db2.gz QZGMVHZPMXPQGF-QWHCGFSZSA-N -1 3 335.839 3.526 20 0 EHADHM C[C@H](Nc1ccc(OC(F)F)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824658363 609180111 /nfs/dbraw/zinc/18/01/11/609180111.db2.gz WJRBBSFUGIAXSD-VIFPVBQESA-N -1 3 349.316 3.780 20 0 EHADHM C[C@H](Nc1ccc(OC(F)F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824658363 609180113 /nfs/dbraw/zinc/18/01/13/609180113.db2.gz WJRBBSFUGIAXSD-VIFPVBQESA-N -1 3 349.316 3.780 20 0 EHADHM C[C@@H](Nc1ccccc1OC(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000824663163 609272149 /nfs/dbraw/zinc/27/21/49/609272149.db2.gz WAAORKPCQKTSAB-SNVBAGLBSA-N -1 3 331.326 3.641 20 0 EHADHM C[C@@H](Nc1ccccc1OC(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824663163 609272151 /nfs/dbraw/zinc/27/21/51/609272151.db2.gz WAAORKPCQKTSAB-SNVBAGLBSA-N -1 3 331.326 3.641 20 0 EHADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c2cccnc12 ZINC000826291392 609274565 /nfs/dbraw/zinc/27/45/65/609274565.db2.gz DFWUUCCVNSDPMX-ZDUSSCGKSA-N -1 3 330.395 3.896 20 0 EHADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c2cccnc12 ZINC000826291392 609274566 /nfs/dbraw/zinc/27/45/66/609274566.db2.gz DFWUUCCVNSDPMX-ZDUSSCGKSA-N -1 3 330.395 3.896 20 0 EHADHM C[C@H](NCc1ccc([C@@H]2C[C@@H]2C)o1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824614238 609327683 /nfs/dbraw/zinc/32/76/83/609327683.db2.gz ZUJVGRKSKWQKLI-ZIBATOQPSA-N -1 3 341.390 3.573 20 0 EHADHM C[C@H](NCc1ccc([C@@H]2C[C@@H]2C)o1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824614238 609327686 /nfs/dbraw/zinc/32/76/86/609327686.db2.gz ZUJVGRKSKWQKLI-ZIBATOQPSA-N -1 3 341.390 3.573 20 0 EHADHM C[C@@H](N[C@@H](C)c1cccc(F)c1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824530932 609344819 /nfs/dbraw/zinc/34/48/19/609344819.db2.gz NGAGXACNBYWTMG-ZJUUUORDSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@@H](N[C@@H](C)c1cccc(F)c1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000824530932 609344821 /nfs/dbraw/zinc/34/48/21/609344821.db2.gz NGAGXACNBYWTMG-ZJUUUORDSA-N -1 3 347.344 3.696 20 0 EHADHM CSc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826231074 609346780 /nfs/dbraw/zinc/34/67/80/609346780.db2.gz VUICADKMYWHFNT-JTQLQIEISA-N -1 3 329.404 3.901 20 0 EHADHM CSc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826231074 609346782 /nfs/dbraw/zinc/34/67/82/609346782.db2.gz VUICADKMYWHFNT-JTQLQIEISA-N -1 3 329.404 3.901 20 0 EHADHM CC(C)[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccc(Cl)cc1F ZINC000824200750 609381839 /nfs/dbraw/zinc/38/18/39/609381839.db2.gz UKDQCMUADWGPQR-OAHLLOKOSA-N -1 3 349.797 3.739 20 0 EHADHM CC(C)[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccc(Cl)cc1F ZINC000824200750 609381842 /nfs/dbraw/zinc/38/18/42/609381842.db2.gz UKDQCMUADWGPQR-OAHLLOKOSA-N -1 3 349.797 3.739 20 0 EHADHM CC(C)Oc1c(F)cc(NCc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000824315782 609480373 /nfs/dbraw/zinc/48/03/73/609480373.db2.gz YOZDEQGTKKKJRY-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM CC(C)Oc1c(F)cc(NCc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000824315782 609480375 /nfs/dbraw/zinc/48/03/75/609480375.db2.gz YOZDEQGTKKKJRY-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM Cc1c(NCc2cnc(C(C)(C)C)s2)cccc1-c1nnn[n-]1 ZINC000826242405 609486333 /nfs/dbraw/zinc/48/63/33/609486333.db2.gz NHQZJTNUMOLOGP-UHFFFAOYSA-N -1 3 328.445 3.541 20 0 EHADHM Cc1c(NCc2cnc(C(C)(C)C)s2)cccc1-c1nn[n-]n1 ZINC000826242405 609486335 /nfs/dbraw/zinc/48/63/35/609486335.db2.gz NHQZJTNUMOLOGP-UHFFFAOYSA-N -1 3 328.445 3.541 20 0 EHADHM Cc1ccc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)s1 ZINC000826288760 609491665 /nfs/dbraw/zinc/49/16/65/609491665.db2.gz VMUWWUBJTVXZNR-UHFFFAOYSA-N -1 3 329.429 3.636 20 0 EHADHM Cc1ccc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)s1 ZINC000826288760 609491668 /nfs/dbraw/zinc/49/16/68/609491668.db2.gz VMUWWUBJTVXZNR-UHFFFAOYSA-N -1 3 329.429 3.636 20 0 EHADHM CC(C)CCCCCC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820073928 945343297 /nfs/dbraw/zinc/34/32/97/945343297.db2.gz XEDIJGGNAVCZAH-AWEZNQCLSA-N -1 3 329.448 3.650 20 0 EHADHM CC(C)CCCCCC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820073928 945343308 /nfs/dbraw/zinc/34/33/08/945343308.db2.gz XEDIJGGNAVCZAH-AWEZNQCLSA-N -1 3 329.448 3.650 20 0 EHADHM CC(=O)Nc1cccc([C@H](C)NCc2cc(C(=O)[O-])sc2C)c1 ZINC000323415319 971001421 /nfs/dbraw/zinc/00/14/21/971001421.db2.gz WZVZZHOIFVMNEF-JTQLQIEISA-N -1 3 332.425 3.564 20 0 EHADHM Brc1ccc(-c2nnn[n-]2)c(NCCC[C@@H]2C=CCC2)c1 ZINC001573280960 946670614 /nfs/dbraw/zinc/67/06/14/946670614.db2.gz WMIUCZRUIIJFDA-LLVKDONJSA-N -1 3 348.248 3.788 20 0 EHADHM Brc1ccc(-c2nn[n-]n2)c(NCCC[C@@H]2C=CCC2)c1 ZINC001573280960 946670619 /nfs/dbraw/zinc/67/06/19/946670619.db2.gz WMIUCZRUIIJFDA-LLVKDONJSA-N -1 3 348.248 3.788 20 0 EHADHM CCc1cnccc1[C@@H](C)[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000825736218 947308298 /nfs/dbraw/zinc/30/82/98/947308298.db2.gz XXRTWJRVWYRQEA-NEPJUHHUSA-N -1 3 325.391 3.870 20 0 EHADHM CCc1cnccc1[C@@H](C)[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000825736218 947308312 /nfs/dbraw/zinc/30/83/12/947308312.db2.gz XXRTWJRVWYRQEA-NEPJUHHUSA-N -1 3 325.391 3.870 20 0 EHADHM COc1cc(-c2nnn[n-]2)ccc1CS[C@@H](C)c1cccs1 ZINC000826173895 947539285 /nfs/dbraw/zinc/53/92/85/947539285.db2.gz ZUYWUFLVMKWXJS-JTQLQIEISA-N -1 3 332.454 3.931 20 0 EHADHM COc1cc(-c2nn[n-]n2)ccc1CS[C@@H](C)c1cccs1 ZINC000826173895 947539296 /nfs/dbraw/zinc/53/92/96/947539296.db2.gz ZUYWUFLVMKWXJS-JTQLQIEISA-N -1 3 332.454 3.931 20 0 EHADHM C/C(=C\C1CCC(C)CC1)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC001573367143 947755482 /nfs/dbraw/zinc/75/54/82/947755482.db2.gz YBCAFNODIORXLJ-SDNWHVSQSA-N -1 3 339.443 3.602 20 0 EHADHM C/C(=C\C1CCC(C)CC1)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC001573367143 947755494 /nfs/dbraw/zinc/75/54/94/947755494.db2.gz YBCAFNODIORXLJ-SDNWHVSQSA-N -1 3 339.443 3.602 20 0 EHADHM C/C(=C/C1CCC(C)CC1)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC001573367141 947755711 /nfs/dbraw/zinc/75/57/11/947755711.db2.gz YBCAFNODIORXLJ-KAMYIIQDSA-N -1 3 339.443 3.602 20 0 EHADHM C/C(=C/C1CCC(C)CC1)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC001573367141 947755717 /nfs/dbraw/zinc/75/57/17/947755717.db2.gz 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CCOc1ccc(-c2nc(CN[C@H](CC(=O)[O-])C(C)(C)C)co2)cc1 ZINC001597049766 986525124 /nfs/dbraw/zinc/52/51/24/986525124.db2.gz XZTBNKNSIKGMLR-MRXNPFEDSA-N -1 3 346.427 3.719 20 0 EHADHM CCn1cc(CN(C)Cc2ccc(C(=O)[O-])cc2)c(-c2ccccc2)n1 ZINC001597887547 989733617 /nfs/dbraw/zinc/73/36/17/989733617.db2.gz NTHVDVCTFDGXQW-UHFFFAOYSA-N -1 3 349.434 3.900 20 0 EHADHM CC(C)(CO)[C@@H](NCc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC001590779150 990585505 /nfs/dbraw/zinc/58/55/05/990585505.db2.gz LISLHFIPIYVECH-KRWDZBQOSA-N -1 3 347.842 3.888 20 0 EHADHM COc1ccccc1O[C@H]1CCCN([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC001599714245 991425208 /nfs/dbraw/zinc/42/52/08/991425208.db2.gz AQQCMGCKTUDQCF-KBPBESRZSA-N -1 3 345.395 3.591 20 0 EHADHM CC(C)[C@H]1N(Cc2ccc(C(=O)[O-])c(Cl)c2)CC12CCOCC2 ZINC001591099480 991710312 /nfs/dbraw/zinc/71/03/12/991710312.db2.gz JUXVHAOOIZKVLE-MRXNPFEDSA-N -1 3 337.847 3.675 20 0 EHADHM Cc1cccc(C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)n1 ZINC000339794889 1015678880 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C[C@@H](NCCCSCc1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001593267035 994584460 /nfs/dbraw/zinc/58/44/60/994584460.db2.gz JCFFLLCLIUUKMP-GFCCVEGCSA-N -1 3 336.482 3.815 20 0 EHADHM C[C@@H](NCc1ccc(C(=O)[O-])c(F)c1)c1cccc(OC(F)F)c1 ZINC001593293965 994688205 /nfs/dbraw/zinc/68/82/05/994688205.db2.gz ZZUWSOYVOFUDBS-SNVBAGLBSA-N -1 3 339.313 3.976 20 0 EHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(N2CCc3ccccc32)CC1 ZINC001593689829 996133641 /nfs/dbraw/zinc/13/36/41/996133641.db2.gz KNMHKUUWGIXIAB-CQSZACIVSA-N -1 3 340.423 3.566 20 0 EHADHM CC1(C)[C@H](c2ccccc2Cl)CCN1Cc1cc(C(=O)[O-])no1 ZINC001593842276 996602829 /nfs/dbraw/zinc/60/28/29/996602829.db2.gz OGUUCLVGXXTTRE-ZDUSSCGKSA-N -1 3 334.803 3.794 20 0 EHADHM CO[C@@H]1C[C@H](N[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1(C)C ZINC001599097542 997310948 /nfs/dbraw/zinc/31/09/48/997310948.db2.gz QXLKGYWADKSVMI-XQQFMLRXSA-N -1 3 332.227 3.522 20 0 EHADHM CO[C@@H]1C[C@H](N[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1(C)C ZINC001599097545 997312458 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C[C@H]1CCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CCS1 ZINC001594412956 999543855 /nfs/dbraw/zinc/54/38/55/999543855.db2.gz WTYPOCULWWWMFM-TVQRCGJNSA-N -1 3 334.268 3.947 20 0 EHADHM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3Cl)cc2[nH]1 ZINC000340145280 1016454689 /nfs/dbraw/zinc/45/46/89/1016454689.db2.gz XDDGKWZQNOCBMZ-UHFFFAOYSA-N -1 3 335.816 3.634 20 0 EHADHM Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000179084178 1016848641 /nfs/dbraw/zinc/84/86/41/1016848641.db2.gz JJSLXBDURMBLID-UHFFFAOYSA-N -1 3 336.432 3.618 20 0 EHADHM COc1nccc(C)c1-c1noc(C=C([O-])c2ccccc2Cl)n1 ZINC001211646826 1016851109 /nfs/dbraw/zinc/85/11/09/1016851109.db2.gz AVWXHHQCGZZLHT-UHFFFAOYSA-N -1 3 343.770 3.527 20 0 EHADHM [O-]c1cccc(CN2CC[C@H](CC(F)(F)F)C2)c1Br ZINC000459513655 1032218787 /nfs/dbraw/zinc/21/87/87/1032218787.db2.gz SNIYQPHAWTYCRR-SECBINFHSA-N -1 3 338.167 3.929 20 0 EHADHM CC(C)c1cc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc(=O)[nH]1 ZINC000538226207 1032225618 /nfs/dbraw/zinc/22/56/18/1032225618.db2.gz 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Cc1cccc2cc(S(=O)(=O)[N-]CC3CC(F)(F)C3)sc21 ZINC000645722573 1032412610 /nfs/dbraw/zinc/41/26/10/1032412610.db2.gz LHDBTLIFRHLCJU-UHFFFAOYSA-N -1 3 331.409 3.533 20 0 EHADHM O=c1cc(CN[C@@H](c2ccccn2)C2CCC2)nc(-c2ccccc2)[n-]1 ZINC000528656856 1032542029 /nfs/dbraw/zinc/54/20/29/1032542029.db2.gz USLXJAYHSSRXQM-HXUWFJFHSA-N -1 3 346.434 3.875 20 0 EHADHM O=C(OC[C@@H]1C[C@@H]2CCC[C@H]2O1)c1cccc2[n-]c(C(F)F)nc21 ZINC000924085851 1017475916 /nfs/dbraw/zinc/47/59/16/1017475916.db2.gz VEJPICJPSAZDED-OUJBWJOFSA-N -1 3 336.338 3.615 20 0 EHADHM Cc1ccc(C(=O)N2CCC[C@H]2CC(=O)c2ccc(F)cc2)c([O-])c1 ZINC000092929530 1017719061 /nfs/dbraw/zinc/71/90/61/1017719061.db2.gz XOYVVBKHFSDBBJ-INIZCTEOSA-N -1 3 341.382 3.717 20 0 EHADHM Cc1ccc([C@H]2CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)C2)c(C)c1 ZINC000377393176 1017747965 /nfs/dbraw/zinc/74/79/65/1017747965.db2.gz OZHHBJKNPWTJQB-INIZCTEOSA-N -1 3 346.430 3.775 20 0 EHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OC)c2C)cc1 ZINC000031722698 1032752826 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CCc1cccc(C(=O)Nc2ccccc2CN(CC)C(C)=O)c1[O-] ZINC000093948329 1032924715 /nfs/dbraw/zinc/92/47/15/1032924715.db2.gz NSHNNIVQHLJYLI-UHFFFAOYSA-N -1 3 340.423 3.575 20 0 EHADHM CN(C)Cc1ccccc1[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000326092734 1020852956 /nfs/dbraw/zinc/85/29/56/1020852956.db2.gz AUYGIIGQWUWXGF-UHFFFAOYSA-N -1 3 340.448 3.702 20 0 EHADHM Cc1nc([C@H]2CCCO2)sc1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000341107281 1020983769 /nfs/dbraw/zinc/98/37/69/1020983769.db2.gz XPBUFONVSCGSPB-SECBINFHSA-N -1 3 338.458 3.530 20 0 EHADHM C[C@@H](NCc1cccc([O-])c1Cl)C(=O)N1c2ccccc2C[C@H]1C ZINC000449647725 1032953850 /nfs/dbraw/zinc/95/38/50/1032953850.db2.gz QSAMOKHMHVDJDO-CHWSQXEVSA-N -1 3 344.842 3.502 20 0 EHADHM CC[C@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1ccc(Cl)cc1 ZINC000436784915 1021225899 /nfs/dbraw/zinc/22/58/99/1021225899.db2.gz SECKJLLVDQEPTK-INIZCTEOSA-N -1 3 346.814 3.885 20 0 EHADHM Cc1cccc(C(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)c1[O-] ZINC000436789393 1021233576 /nfs/dbraw/zinc/23/35/76/1021233576.db2.gz CBRNIQMULVNJLQ-UHFFFAOYSA-N -1 3 345.305 3.941 20 0 EHADHM CCc1ccc(C(=O)Nc2ccc(OCCOC)cc2C)c([O-])c1 ZINC000436817808 1021244076 /nfs/dbraw/zinc/24/40/76/1021244076.db2.gz IFWKQUGMSGXZIL-UHFFFAOYSA-N -1 3 329.396 3.541 20 0 EHADHM CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1cc(F)ccc1[O-] ZINC000436800295 1021246857 /nfs/dbraw/zinc/24/68/57/1021246857.db2.gz JNWLQQSAEFWCGB-LLVKDONJSA-N -1 3 342.374 3.808 20 0 EHADHM CCc1ccc(C(=O)NCc2coc(-c3cccs3)n2)c([O-])c1 ZINC000436803265 1021247865 /nfs/dbraw/zinc/24/78/65/1021247865.db2.gz NJYUORRCSDOIEV-UHFFFAOYSA-N -1 3 328.393 3.601 20 0 EHADHM CCc1ccc(C(=O)N(CCCO)Cc2cccc(Cl)c2)c([O-])c1 ZINC000436830906 1021261852 /nfs/dbraw/zinc/26/18/52/1021261852.db2.gz OMDKDRMVBCXBHH-UHFFFAOYSA-N -1 3 347.842 3.633 20 0 EHADHM Cc1ccc(C(=O)Nc2n[nH]c(-c3ccccc3Cl)n2)c([O-])c1C ZINC000436832932 1021265003 /nfs/dbraw/zinc/26/50/03/1021265003.db2.gz UILDFFKGRTYVFB-UHFFFAOYSA-N -1 3 342.786 3.700 20 0 EHADHM CCNC(=O)Nc1ccc(C)c(NC(=O)c2cc(CC)ccc2[O-])c1 ZINC000436821227 1021271471 /nfs/dbraw/zinc/27/14/71/1021271471.db2.gz KEGGMBNOMQBCDY-UHFFFAOYSA-N -1 3 341.411 3.657 20 0 EHADHM CCc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2Cl)c([O-])c1 ZINC000436820408 1021274373 /nfs/dbraw/zinc/27/43/73/1021274373.db2.gz LJQXYDDXBVMJOE-UHFFFAOYSA-N -1 3 332.787 3.819 20 0 EHADHM C[C@]1(c2ccccc2)CCCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000436848766 1021293749 /nfs/dbraw/zinc/29/37/49/1021293749.db2.gz QANPORIUYIEFTA-FQEVSTJZSA-N -1 3 325.408 3.682 20 0 EHADHM COCc1cc(CNC(=O)c2ccc(C(C)C)cc2[O-])ccc1F ZINC000436859009 1021296944 /nfs/dbraw/zinc/29/69/44/1021296944.db2.gz JKMIOLXXGVBXGP-UHFFFAOYSA-N -1 3 331.387 3.731 20 0 EHADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CCCCCO1 ZINC000436891812 1021345412 /nfs/dbraw/zinc/34/54/12/1021345412.db2.gz HHXAVAPJXMQWQN-UHFFFAOYSA-N -1 3 327.380 3.529 20 0 EHADHM CC(C)c1ccc(-c2nc(-c3ccc4c(c3)CC(=O)N4)no2)c([O-])c1 ZINC000436904174 1021347681 /nfs/dbraw/zinc/34/76/81/1021347681.db2.gz VTQPUEDJIYQIDW-UHFFFAOYSA-N -1 3 335.363 3.727 20 0 EHADHM CCCOc1ccc(-c2noc(-c3cccc(OC)c3[O-])n2)cc1 ZINC000436905193 1021350065 /nfs/dbraw/zinc/35/00/65/1021350065.db2.gz ZXIVJVMVDFLUEP-UHFFFAOYSA-N -1 3 326.352 3.907 20 0 EHADHM CCOCc1ccc(-c2noc(-c3cccc(OC)c3[O-])n2)cc1 ZINC000436908106 1021350721 /nfs/dbraw/zinc/35/07/21/1021350721.db2.gz HIDMCNMBCNPWOT-UHFFFAOYSA-N -1 3 326.352 3.654 20 0 EHADHM CC(C)c1ccc(-c2nc(-c3cccc(-n4cccn4)n3)no2)c([O-])c1 ZINC000436938541 1021401407 /nfs/dbraw/zinc/40/14/07/1021401407.db2.gz JHCMZHSQSPIHOV-UHFFFAOYSA-N -1 3 347.378 3.813 20 0 EHADHM CC[C@@H](C)Oc1cc(-c2noc(-c3ccc(C)cc3[O-])n2)ccn1 ZINC000436941510 1021402871 /nfs/dbraw/zinc/40/28/71/1021402871.db2.gz DMWYBUYIAIFPJV-GFCCVEGCSA-N -1 3 325.368 3.990 20 0 EHADHM Cc1ccc(C(=O)NC[C@H](Cc2ccccc2)C(F)(F)F)c([O-])c1 ZINC000436941471 1021403472 /nfs/dbraw/zinc/40/34/72/1021403472.db2.gz QSRDVEAHLLELJR-AWEZNQCLSA-N -1 3 337.341 3.852 20 0 EHADHM CC[C@@H](C)Oc1cc(-c2noc(-c3cccc(OC)c3[O-])n2)ccn1 ZINC000436943157 1021404063 /nfs/dbraw/zinc/40/40/63/1021404063.db2.gz KKXWWVDPSDGPMA-LLVKDONJSA-N -1 3 341.367 3.690 20 0 EHADHM COc1cccc(C(=O)Nc2cc(-c3ccccc3)ns2)c1[O-] ZINC000436946680 1021408801 /nfs/dbraw/zinc/40/88/01/1021408801.db2.gz FBICUYMKBVRGHL-UHFFFAOYSA-N -1 3 326.377 3.777 20 0 EHADHM CCOc1cc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)ccc1O ZINC000436968078 1021414526 /nfs/dbraw/zinc/41/45/26/1021414526.db2.gz SCNDTAKETKSSAK-GHRIWEEISA-N -1 3 348.402 3.658 20 0 EHADHM Cc1ccc(C(=O)Nc2c(-c3ccco3)nc3ccccn32)c([O-])c1 ZINC000436976064 1021429105 /nfs/dbraw/zinc/42/91/05/1021429105.db2.gz ANHCMSLRYSTEBB-UHFFFAOYSA-N -1 3 333.347 3.861 20 0 EHADHM Cc1c(NC(=O)c2ccc3c(c2[O-])CCCC3)cnn1CC(C)C ZINC000436978889 1021435232 /nfs/dbraw/zinc/43/52/32/1021435232.db2.gz WTWRMUMYHTWVNG-UHFFFAOYSA-N -1 3 327.428 3.684 20 0 EHADHM CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1[O-] ZINC000436993194 1021449269 /nfs/dbraw/zinc/44/92/69/1021449269.db2.gz ZOBBPEUFCLXGAT-BMFZPTHFSA-N -1 3 345.439 3.507 20 0 EHADHM CC(C)c1ccc(-c2nc(-c3ccc(-n4cccn4)nc3)no2)c([O-])c1 ZINC000436997046 1021452475 /nfs/dbraw/zinc/45/24/75/1021452475.db2.gz MKYQYBNNWDROAO-UHFFFAOYSA-N -1 3 347.378 3.813 20 0 EHADHM CCCCOc1ccc(C(=O)N2CCC(OC(C)(C)C)CC2)c([O-])c1 ZINC000436986417 1021458058 /nfs/dbraw/zinc/45/80/58/1021458058.db2.gz JOELDIUFSRCEOJ-UHFFFAOYSA-N -1 3 349.471 3.991 20 0 EHADHM COC(=O)c1ccc(-c2nc(-c3ccc(Cl)cc3Cl)no2)[n-]1 ZINC000426449154 1021615486 /nfs/dbraw/zinc/61/54/86/1021615486.db2.gz GLFNDYJIWGAJGN-UHFFFAOYSA-N -1 3 338.150 3.825 20 0 EHADHM CC(=O)c1cccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)c1[O-] ZINC000516670754 1021639791 /nfs/dbraw/zinc/63/97/91/1021639791.db2.gz RAZQBVZVJMNZPZ-UHFFFAOYSA-N -1 3 329.783 3.919 20 0 EHADHM C[C@@H](CN=c1[n-]nc(-c2ccccc2)s1)N(C)Cc1ccccc1 ZINC000518927480 1021694560 /nfs/dbraw/zinc/69/45/60/1021694560.db2.gz NVDNQTAWVJTCLW-HNNXBMFYSA-N -1 3 338.480 3.559 20 0 EHADHM COc1ccc(OC)c([C@H]2CCCN2Cc2ccccc2C(=O)[O-])c1 ZINC000581830108 1021844031 /nfs/dbraw/zinc/84/40/31/1021844031.db2.gz ZOPMSFDFSIZQAP-GOSISDBHSA-N -1 3 341.407 3.739 20 0 EHADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CCc2cccc(O)c21 ZINC000517007225 1021934312 /nfs/dbraw/zinc/93/43/12/1021934312.db2.gz CAGAVNHSAQOHJR-NSHDSACASA-N -1 3 348.196 3.529 20 0 EHADHM NC(=O)c1ccc(C(=O)[N-]c2c(F)cccc2Oc2ccccc2)o1 ZINC000437666215 1022039562 /nfs/dbraw/zinc/03/95/62/1022039562.db2.gz JFJKHTUKSYBDOG-UHFFFAOYSA-N -1 3 340.310 3.562 20 0 EHADHM O=C([N-]c1ncn(C2CCCCC2)n1)c1ccoc1C(F)(F)F ZINC000290740450 1022090789 /nfs/dbraw/zinc/09/07/89/1022090789.db2.gz OVGXUDGKSGBLJP-UHFFFAOYSA-N -1 3 328.294 3.647 20 0 EHADHM CC(C)CCOc1ccc(CN[C@H](CC(=O)[O-])c2ccncc2)cc1 ZINC000517247827 1022167394 /nfs/dbraw/zinc/16/73/94/1022167394.db2.gz VUHNFLVNUAMIBD-LJQANCHMSA-N -1 3 342.439 3.812 20 0 EHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCc3ccccc32)sc1Cl ZINC000473908576 1022262696 /nfs/dbraw/zinc/26/26/96/1022262696.db2.gz GEKSDTQBKAHRSO-GFCCVEGCSA-N -1 3 327.858 3.676 20 0 EHADHM 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QTWQRUMLBSXTOI-UHFFFAOYSA-N -1 3 334.709 3.712 20 0 EHADHM O=C(Nc1ccc(F)cc1F)c1cnc2c(Cl)cccc2c1[O-] ZINC000032605800 202228796 /nfs/dbraw/zinc/22/87/96/202228796.db2.gz QTWQRUMLBSXTOI-UHFFFAOYSA-N -1 3 334.709 3.712 20 0 EHADHM O=C([O-])C1CCN(CCSc2cc(Cl)ccc2Cl)CC1 ZINC000035299900 527565372 /nfs/dbraw/zinc/56/53/72/527565372.db2.gz VTUNMZINSIMLRT-UHFFFAOYSA-N -1 3 334.268 3.882 20 0 EHADHM CC1CCC(=CC(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CC1 ZINC000736235980 598926014 /nfs/dbraw/zinc/92/60/14/598926014.db2.gz FEAPBCSXCZJVQG-UHFFFAOYSA-N -1 3 331.807 3.595 20 0 EHADHM CC1CCC(=CC(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CC1 ZINC000736235980 598926015 /nfs/dbraw/zinc/92/60/15/598926015.db2.gz FEAPBCSXCZJVQG-UHFFFAOYSA-N -1 3 331.807 3.595 20 0 EHADHM CC(C)CC[C@H](NC(=O)c1sccc1-c1nnn[n-]1)C(C)(C)C ZINC000735796356 599015911 /nfs/dbraw/zinc/01/59/11/599015911.db2.gz AQFPUGVKVGRCCR-LBPRGKRZSA-N -1 3 335.477 3.509 20 0 EHADHM CC(C)CC[C@H](NC(=O)c1sccc1-c1nn[n-]n1)C(C)(C)C ZINC000735796356 599015913 /nfs/dbraw/zinc/01/59/13/599015913.db2.gz AQFPUGVKVGRCCR-LBPRGKRZSA-N -1 3 335.477 3.509 20 0 EHADHM COC(C)(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821672501 599046219 /nfs/dbraw/zinc/04/62/19/599046219.db2.gz NBHJHUUGUCNTTK-SECBINFHSA-N -1 3 343.353 3.501 20 0 EHADHM COC(C)(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821672501 599046221 /nfs/dbraw/zinc/04/62/21/599046221.db2.gz NBHJHUUGUCNTTK-SECBINFHSA-N -1 3 343.353 3.501 20 0 EHADHM CCCCC[C@@H](C)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736443113 599048312 /nfs/dbraw/zinc/04/83/12/599048312.db2.gz ZHZGZKMXXFZDCK-SECBINFHSA-N -1 3 328.342 3.661 20 0 EHADHM CCCCC[C@@H](C)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736443113 599048315 /nfs/dbraw/zinc/04/83/15/599048315.db2.gz ZHZGZKMXXFZDCK-SECBINFHSA-N -1 3 328.342 3.661 20 0 EHADHM C[C@@H]1C[C@H]1[C@@H](Nc1ncccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000820667393 599055072 /nfs/dbraw/zinc/05/50/72/599055072.db2.gz MBMVDNXZUIGROX-KMUNFCNLSA-N -1 3 340.818 3.724 20 0 EHADHM C[C@@H]1C[C@H]1[C@@H](Nc1ncccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000820667393 599055076 /nfs/dbraw/zinc/05/50/76/599055076.db2.gz MBMVDNXZUIGROX-KMUNFCNLSA-N -1 3 340.818 3.724 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc2cc(C)c(C)cc2o1 ZINC000822212988 599148297 /nfs/dbraw/zinc/14/82/97/599148297.db2.gz PMPDZASAXHQRAL-UHFFFAOYSA-N -1 3 347.378 3.790 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc2cc(C)c(C)cc2o1 ZINC000822212988 599148299 /nfs/dbraw/zinc/14/82/99/599148299.db2.gz PMPDZASAXHQRAL-UHFFFAOYSA-N -1 3 347.378 3.790 20 0 EHADHM CCCCCC[C@@H](CC)C(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC000736448386 599194458 /nfs/dbraw/zinc/19/44/58/599194458.db2.gz XUVGAEDZIIYQBW-CYBMUJFWSA-N -1 3 346.431 3.777 20 0 EHADHM CCCCCC[C@@H](CC)C(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC000736448386 599194460 /nfs/dbraw/zinc/19/44/60/599194460.db2.gz XUVGAEDZIIYQBW-CYBMUJFWSA-N -1 3 346.431 3.777 20 0 EHADHM COC[C@@H](C)SCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000821682465 599225807 /nfs/dbraw/zinc/22/58/07/599225807.db2.gz GGDSYWYLXIEYEI-CYBMUJFWSA-N -1 3 340.452 3.802 20 0 EHADHM COC[C@@H](C)SCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000821682465 599225809 /nfs/dbraw/zinc/22/58/09/599225809.db2.gz GGDSYWYLXIEYEI-CYBMUJFWSA-N -1 3 340.452 3.802 20 0 EHADHM c1cc(-c2nnn[n-]2)sc1CNc1ccc2oc(C3CC3)nc2c1 ZINC000823767867 607310360 /nfs/dbraw/zinc/31/03/60/607310360.db2.gz ZOQDHWLRYKWSSR-UHFFFAOYSA-N -1 3 338.396 3.559 20 0 EHADHM CC[C@@H](C)C(=O)Nc1cccc(CNCc2cccc(C(=O)[O-])c2)c1 ZINC000263510120 598202743 /nfs/dbraw/zinc/20/27/43/598202743.db2.gz YNHMJEKJMQXEHP-CQSZACIVSA-N -1 3 340.423 3.659 20 0 EHADHM Cc1cccc2c1CC[C@@H]2Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000737409648 598243399 /nfs/dbraw/zinc/24/33/99/598243399.db2.gz PEKAEKZIYBZVON-HNNXBMFYSA-N -1 3 325.803 3.928 20 0 EHADHM Cc1cccc2c1CC[C@@H]2Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000737409648 598243401 /nfs/dbraw/zinc/24/34/01/598243401.db2.gz PEKAEKZIYBZVON-HNNXBMFYSA-N -1 3 325.803 3.928 20 0 EHADHM Cc1csc([C@H]2CCCCN2c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000737455452 598243827 /nfs/dbraw/zinc/24/38/27/598243827.db2.gz RRQSIGCOQLAELG-CYBMUJFWSA-N -1 3 344.419 3.502 20 0 EHADHM Cc1csc([C@H]2CCCCN2c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000737455452 598243828 /nfs/dbraw/zinc/24/38/28/598243828.db2.gz RRQSIGCOQLAELG-CYBMUJFWSA-N -1 3 344.419 3.502 20 0 EHADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2ccc3ccccc3n2)n1 ZINC000737240794 598271152 /nfs/dbraw/zinc/27/11/52/598271152.db2.gz MJGZLWXWEDFJNG-UHFFFAOYSA-N -1 3 348.435 3.719 20 0 EHADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2ccc3ccccc3n2)n1 ZINC000737240794 598271154 /nfs/dbraw/zinc/27/11/54/598271154.db2.gz MJGZLWXWEDFJNG-UHFFFAOYSA-N -1 3 348.435 3.719 20 0 EHADHM C[C@@H](CC(=O)OCc1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000735974225 598288865 /nfs/dbraw/zinc/28/88/65/598288865.db2.gz BABVXJXRJTXTDQ-ZDUSSCGKSA-N -1 3 328.416 3.516 20 0 EHADHM C[C@@H](CC(=O)OCc1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000735974225 598288867 /nfs/dbraw/zinc/28/88/67/598288867.db2.gz BABVXJXRJTXTDQ-ZDUSSCGKSA-N -1 3 328.416 3.516 20 0 EHADHM CC(C)c1ccc(CN(C)c2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000735924083 598386483 /nfs/dbraw/zinc/38/64/83/598386483.db2.gz POXSWEAUTDUASU-UHFFFAOYSA-N -1 3 342.834 3.675 20 0 EHADHM CC(C)c1ccc(CN(C)c2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000735924083 598386485 /nfs/dbraw/zinc/38/64/85/598386485.db2.gz POXSWEAUTDUASU-UHFFFAOYSA-N -1 3 342.834 3.675 20 0 EHADHM Cc1ccc2c(c1)[C@@H](Nc1ccc(Cl)cc1-c1nnn[n-]1)CC2 ZINC000737371974 598388601 /nfs/dbraw/zinc/38/86/01/598388601.db2.gz RZUQCECMKBDDRG-HNNXBMFYSA-N -1 3 325.803 3.928 20 0 EHADHM Cc1ccc2c(c1)[C@@H](Nc1ccc(Cl)cc1-c1nn[n-]n1)CC2 ZINC000737371974 598388602 /nfs/dbraw/zinc/38/86/02/598388602.db2.gz RZUQCECMKBDDRG-HNNXBMFYSA-N -1 3 325.803 3.928 20 0 EHADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCC(C2CCCCC2)CC1 ZINC000737564959 598391623 /nfs/dbraw/zinc/39/16/23/598391623.db2.gz UTKSAAMNIWYRNB-UHFFFAOYSA-N -1 3 346.866 3.712 20 0 EHADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCC(C2CCCCC2)CC1 ZINC000737564959 598391625 /nfs/dbraw/zinc/39/16/25/598391625.db2.gz UTKSAAMNIWYRNB-UHFFFAOYSA-N -1 3 346.866 3.712 20 0 EHADHM C[C@H]1C[C@@H](CC(=O)Nc2sccc2-c2nnn[n-]2)CC(C)(C)C1 ZINC000736227629 598440926 /nfs/dbraw/zinc/44/09/26/598440926.db2.gz LZMXIZGLKVPJCX-QWRGUYRKSA-N -1 3 333.461 3.719 20 0 EHADHM C[C@H]1C[C@@H](CC(=O)Nc2sccc2-c2nn[n-]n2)CC(C)(C)C1 ZINC000736227629 598440927 /nfs/dbraw/zinc/44/09/27/598440927.db2.gz LZMXIZGLKVPJCX-QWRGUYRKSA-N -1 3 333.461 3.719 20 0 EHADHM CC(C)c1ccc(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735922538 598513551 /nfs/dbraw/zinc/51/35/51/598513551.db2.gz LEOCSHMJFMWAND-UHFFFAOYSA-N -1 3 338.436 3.965 20 0 EHADHM CC(C)c1ccc(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735922538 598513552 /nfs/dbraw/zinc/51/35/52/598513552.db2.gz LEOCSHMJFMWAND-UHFFFAOYSA-N -1 3 338.436 3.965 20 0 EHADHM CC(C)[C@H](CC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000484791088 598646458 /nfs/dbraw/zinc/64/64/58/598646458.db2.gz MZUMEPZGONOCGZ-KRWDZBQOSA-N -1 3 335.411 3.635 20 0 EHADHM CC(C)[C@H](CC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000484791088 598646459 /nfs/dbraw/zinc/64/64/59/598646459.db2.gz MZUMEPZGONOCGZ-KRWDZBQOSA-N -1 3 335.411 3.635 20 0 EHADHM CCCN(C(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000736470720 598667777 /nfs/dbraw/zinc/66/77/77/598667777.db2.gz UDKHXNPFUSEKJZ-UHFFFAOYSA-N -1 3 341.802 3.577 20 0 EHADHM CCCN(C(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000736470720 598667778 /nfs/dbraw/zinc/66/77/78/598667778.db2.gz UDKHXNPFUSEKJZ-UHFFFAOYSA-N -1 3 341.802 3.577 20 0 EHADHM Clc1ccc([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC000737570370 598680691 /nfs/dbraw/zinc/68/06/91/598680691.db2.gz GFLBQLFADVMWON-AWEZNQCLSA-N -1 3 325.803 3.514 20 0 EHADHM c1ccc(CNc2ccccc2Oc2ncccc2-c2nnn[n-]2)cc1 ZINC000738433173 598700942 /nfs/dbraw/zinc/70/09/42/598700942.db2.gz PVFFNNBNVIIOEO-UHFFFAOYSA-N -1 3 344.378 3.666 20 0 EHADHM CC[C@H](CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736335304 598736256 /nfs/dbraw/zinc/73/62/56/598736256.db2.gz ZVCZPJDOBPFWBZ-HUUCEWRRSA-N -1 3 349.438 3.628 20 0 EHADHM CC[C@H](CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736335304 598736257 /nfs/dbraw/zinc/73/62/57/598736257.db2.gz ZVCZPJDOBPFWBZ-HUUCEWRRSA-N -1 3 349.438 3.628 20 0 EHADHM CCC(=CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736305908 598736331 /nfs/dbraw/zinc/73/63/31/598736331.db2.gz YCJCEOJUMXXRNW-SXWSKBOKSA-N -1 3 347.422 3.538 20 0 EHADHM CCC(=CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736305908 598736333 /nfs/dbraw/zinc/73/63/33/598736333.db2.gz YCJCEOJUMXXRNW-SXWSKBOKSA-N -1 3 347.422 3.538 20 0 EHADHM C[C@@H](N[C@@H](c1ccco1)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820410805 599364521 /nfs/dbraw/zinc/36/45/21/599364521.db2.gz HAKQZVDKJNMDKJ-AUUYWEPGSA-N -1 3 345.406 3.900 20 0 EHADHM C[C@H](Nc1cc(Cl)ccc1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000736140328 599394795 /nfs/dbraw/zinc/39/47/95/599394795.db2.gz UDFPSEOWNAFKJI-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@H](Nc1cc(Cl)ccc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000736140328 599394798 /nfs/dbraw/zinc/39/47/98/599394798.db2.gz UDFPSEOWNAFKJI-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM Cc1cccc2c1CC[C@H]2Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737411229 599429387 /nfs/dbraw/zinc/42/93/87/599429387.db2.gz XAEQHEOLFXDUND-OAHLLOKOSA-N -1 3 325.803 3.928 20 0 EHADHM Cc1cccc2c1CC[C@H]2Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737411229 599429390 /nfs/dbraw/zinc/42/93/90/599429390.db2.gz XAEQHEOLFXDUND-OAHLLOKOSA-N -1 3 325.803 3.928 20 0 EHADHM Cc1ccnc(Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000737435779 599434637 /nfs/dbraw/zinc/43/46/37/599434637.db2.gz COKIFUMTDFALIQ-UHFFFAOYSA-N -1 3 345.366 3.501 20 0 EHADHM Cc1ccnc(Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000737435779 599434638 /nfs/dbraw/zinc/43/46/38/599434638.db2.gz COKIFUMTDFALIQ-UHFFFAOYSA-N -1 3 345.366 3.501 20 0 EHADHM C[C@H](OCCCNc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000820519798 599466676 /nfs/dbraw/zinc/46/66/76/599466676.db2.gz WUGYGDKCHCBEJP-ZDUSSCGKSA-N -1 3 341.390 3.586 20 0 EHADHM C[C@H](OCCCNc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000820519798 599466678 /nfs/dbraw/zinc/46/66/78/599466678.db2.gz WUGYGDKCHCBEJP-ZDUSSCGKSA-N -1 3 341.390 3.586 20 0 EHADHM C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397918 599504740 /nfs/dbraw/zinc/50/47/40/599504740.db2.gz XAJITYQQSDHXQO-CYBMUJFWSA-N -1 3 349.438 3.655 20 0 EHADHM C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397918 599504741 /nfs/dbraw/zinc/50/47/41/599504741.db2.gz XAJITYQQSDHXQO-CYBMUJFWSA-N -1 3 349.438 3.655 20 0 EHADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccc(O)c1 ZINC000820456451 599516482 /nfs/dbraw/zinc/51/64/82/599516482.db2.gz UFTGMDWRDVATKO-SECBINFHSA-N -1 3 349.316 3.764 20 0 EHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc(O)c1 ZINC000820456451 599516484 /nfs/dbraw/zinc/51/64/84/599516484.db2.gz UFTGMDWRDVATKO-SECBINFHSA-N -1 3 349.316 3.764 20 0 EHADHM Cc1ccccc1CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000737428446 599519430 /nfs/dbraw/zinc/51/94/30/599519430.db2.gz PHBDNDVJGASTEE-UHFFFAOYSA-N -1 3 333.317 3.806 20 0 EHADHM C[C@H](NC(=O)c1cccc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820397983 599519478 /nfs/dbraw/zinc/51/94/78/599519478.db2.gz YFIKPTVMYSIOFU-ZDUSSCGKSA-N -1 3 343.390 3.511 20 0 EHADHM C[C@H](NC(=O)c1cccc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820397983 599519480 /nfs/dbraw/zinc/51/94/80/599519480.db2.gz YFIKPTVMYSIOFU-ZDUSSCGKSA-N -1 3 343.390 3.511 20 0 EHADHM CCCC[C@H](CC)CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821039161 599534543 /nfs/dbraw/zinc/53/45/43/599534543.db2.gz ARTAJHVSCPPPED-KGLIPLIRSA-N -1 3 329.448 3.650 20 0 EHADHM CCCC[C@H](CC)CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821039161 599534547 /nfs/dbraw/zinc/53/45/47/599534547.db2.gz ARTAJHVSCPPPED-KGLIPLIRSA-N -1 3 329.448 3.650 20 0 EHADHM CC(C)(C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000735604051 599539525 /nfs/dbraw/zinc/53/95/25/599539525.db2.gz REXXJIWZVMEVQX-UHFFFAOYSA-N -1 3 347.488 3.962 20 0 EHADHM CC(C)(C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000735604051 599539526 /nfs/dbraw/zinc/53/95/26/599539526.db2.gz REXXJIWZVMEVQX-UHFFFAOYSA-N -1 3 347.488 3.962 20 0 EHADHM Fc1ccc(N2CC[C@H](c3ccc(Cl)cc3)C2)c(-c2nnn[n-]2)c1 ZINC000822778112 599551349 /nfs/dbraw/zinc/55/13/49/599551349.db2.gz DFVSFCRFPKBIDQ-LBPRGKRZSA-N -1 3 343.793 3.653 20 0 EHADHM Fc1ccc(N2CC[C@H](c3ccc(Cl)cc3)C2)c(-c2nn[n-]n2)c1 ZINC000822778112 599551350 /nfs/dbraw/zinc/55/13/50/599551350.db2.gz DFVSFCRFPKBIDQ-LBPRGKRZSA-N -1 3 343.793 3.653 20 0 EHADHM Clc1cc(N[C@@H]2C[C@H]2Cc2ccccc2)ccc1-c1nnn[n-]1 ZINC000822567532 599591505 /nfs/dbraw/zinc/59/15/05/599591505.db2.gz CRVBBIOPLAZLQQ-MLGOLLRUSA-N -1 3 325.803 3.563 20 0 EHADHM Clc1cc(N[C@@H]2C[C@H]2Cc2ccccc2)ccc1-c1nn[n-]n1 ZINC000822567532 599591507 /nfs/dbraw/zinc/59/15/07/599591507.db2.gz CRVBBIOPLAZLQQ-MLGOLLRUSA-N -1 3 325.803 3.563 20 0 EHADHM CC[C@H](C)[C@H]1CCCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000736328390 599609858 /nfs/dbraw/zinc/60/98/58/599609858.db2.gz HMPXSGFKQZUZHM-BLLLJJGKSA-N -1 3 342.447 3.608 20 0 EHADHM CC[C@H](C)[C@H]1CCCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000736328390 599609860 /nfs/dbraw/zinc/60/98/60/599609860.db2.gz HMPXSGFKQZUZHM-BLLLJJGKSA-N -1 3 342.447 3.608 20 0 EHADHM C[C@H](OC(=O)CC/C=C/c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736148764 599617716 /nfs/dbraw/zinc/61/77/16/599617716.db2.gz HYUCWDYHRFOEOM-RNOHYWCBSA-N -1 3 348.406 3.965 20 0 EHADHM C[C@H](OC(=O)CC/C=C/c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736148764 599617718 /nfs/dbraw/zinc/61/77/18/599617718.db2.gz HYUCWDYHRFOEOM-RNOHYWCBSA-N -1 3 348.406 3.965 20 0 EHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CC[C@@H](CC(C)C)C1 ZINC000822331268 599686974 /nfs/dbraw/zinc/68/69/74/599686974.db2.gz AUDRRCCCYPCGKK-AWEZNQCLSA-N -1 3 336.443 3.596 20 0 EHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CC[C@@H](CC(C)C)C1 ZINC000822331268 599686975 /nfs/dbraw/zinc/68/69/75/599686975.db2.gz AUDRRCCCYPCGKK-AWEZNQCLSA-N -1 3 336.443 3.596 20 0 EHADHM CCC(C)(C)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000820847790 599689801 /nfs/dbraw/zinc/68/98/01/599689801.db2.gz LYRKIEHXEXSPPU-JTQLQIEISA-N -1 3 347.488 3.818 20 0 EHADHM CCC(C)(C)CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000820847790 599689802 /nfs/dbraw/zinc/68/98/02/599689802.db2.gz LYRKIEHXEXSPPU-JTQLQIEISA-N -1 3 347.488 3.818 20 0 EHADHM C[C@@H]1CN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CCS1 ZINC000137217845 600102731 /nfs/dbraw/zinc/10/27/31/600102731.db2.gz TUUAMRWAIFXODQ-SECBINFHSA-N -1 3 325.430 3.676 20 0 EHADHM O=C([O-])[C@@H]1CC12CCN(Cc1cc(-c3ccc(Cl)cc3)no1)CC2 ZINC000582186728 600292119 /nfs/dbraw/zinc/29/21/19/600292119.db2.gz OCWIZTVVCXSXKT-HNNXBMFYSA-N -1 3 346.814 3.682 20 0 EHADHM O=C([O-])[C@H](NCc1ccc(Br)s1)c1ccc(F)cc1 ZINC000739498767 600421385 /nfs/dbraw/zinc/42/13/85/600421385.db2.gz DNOITVCQHHASAY-GFCCVEGCSA-N -1 3 344.205 3.565 20 0 EHADHM CC[C@@H](C)C(=O)Nc1cccc(CN[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000736869419 600424429 /nfs/dbraw/zinc/42/44/29/600424429.db2.gz FDZGSTLFSPGEAS-KDOFPFPSSA-N -1 3 340.423 3.587 20 0 EHADHM O=C([O-])c1coc(CN2CCC[C@@H](c3nc4ccccc4s3)C2)c1 ZINC000740268566 600430055 /nfs/dbraw/zinc/43/00/55/600430055.db2.gz HCZCNVZBXNDYQC-GFCCVEGCSA-N -1 3 342.420 3.967 20 0 EHADHM O=C([O-])[C@@H](NCc1ccc(OC2CCCCC2)nc1)c1ccccc1 ZINC000738523189 600432028 /nfs/dbraw/zinc/43/20/28/600432028.db2.gz ADNJPGKGMVUHIO-IBGZPJMESA-N -1 3 340.423 3.709 20 0 EHADHM COc1ccc2c(c1)CCC[C@H]2N[C@H](C(=O)[O-])c1ccccc1F ZINC000832493371 600744411 /nfs/dbraw/zinc/74/44/11/600744411.db2.gz ALUSNBGDCGGSDS-MSOLQXFVSA-N -1 3 329.371 3.627 20 0 EHADHM COc1ccc(CN2CCC(C(=O)[O-])CC2)cc1SC(F)(F)F ZINC000262626382 600815469 /nfs/dbraw/zinc/81/54/69/600815469.db2.gz GBHBMYHHGCFJJH-UHFFFAOYSA-N -1 3 349.374 3.604 20 0 EHADHM COc1ccc([C@H](NC/C=C(/C)C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000832252543 601166979 /nfs/dbraw/zinc/16/69/79/601166979.db2.gz PNNALFQEQZLLTO-FWFZHJKVSA-N -1 3 329.371 3.544 20 0 EHADHM Cc1cc(CN(CCCO)[C@@H]2CCCc3ccccc32)oc1C(=O)[O-] ZINC000832881428 601376164 /nfs/dbraw/zinc/37/61/64/601376164.db2.gz CFXMNKHLSMHEKL-GOSISDBHSA-N -1 3 343.423 3.548 20 0 EHADHM O=C([O-])[C@@H]1c2ccccc2CCN1Cc1cc(F)cc2cccnc21 ZINC000326598588 601545098 /nfs/dbraw/zinc/54/50/98/601545098.db2.gz FKDAPULPEJFTBM-IBGZPJMESA-N -1 3 336.366 3.558 20 0 EHADHM CCC(CC)(CC(=O)[O-])NCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000828803929 601634091 /nfs/dbraw/zinc/63/40/91/601634091.db2.gz DOGCWWNXSIOMSK-UHFFFAOYSA-N -1 3 337.807 3.513 20 0 EHADHM O=C([O-])c1sccc1CN1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000833347767 601806040 /nfs/dbraw/zinc/80/60/40/601806040.db2.gz RXXODXHPFFHGSD-UHFFFAOYSA-N -1 3 339.420 3.612 20 0 EHADHM Cc1nc(CN2CC[C@](C)(C(=O)[O-])C2)oc1-c1ccc(Cl)cc1 ZINC000263111747 601918263 /nfs/dbraw/zinc/91/82/63/601918263.db2.gz JTPKRSSVTWDFEB-KRWDZBQOSA-N -1 3 334.803 3.600 20 0 EHADHM Cc1ccc(OC2CCN(Cc3ccc(C(=O)[O-])s3)CC2)cc1 ZINC000583758156 601957602 /nfs/dbraw/zinc/95/76/02/601957602.db2.gz WRKWZFVEVVADPN-UHFFFAOYSA-N -1 3 331.437 3.798 20 0 EHADHM COc1cc(OC)cc([C@H](N[C@@H](C)c2ccc(C)c(F)c2)C(=O)[O-])c1 ZINC000832048843 602175647 /nfs/dbraw/zinc/17/56/47/602175647.db2.gz BGEBADMQJPYJQD-SGTLLEGYSA-N -1 3 347.386 3.628 20 0 EHADHM Cc1ncccc1CNC[C@H](NC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000740237064 602335749 /nfs/dbraw/zinc/33/57/49/602335749.db2.gz RBUHMEUYZREUQE-SFHVURJKSA-N -1 3 327.428 3.612 20 0 EHADHM C[C@@H](NCc1ccc(CCNC(=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000739031080 602730456 /nfs/dbraw/zinc/73/04/56/602730456.db2.gz KFKPIAKSPSJKCG-GFCCVEGCSA-N -1 3 334.366 3.626 20 0 EHADHM CC(C)(CC(=O)[O-])NCc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000833456449 604617961 /nfs/dbraw/zinc/61/79/61/604617961.db2.gz WBAZQMGIKUHYCU-UHFFFAOYSA-N -1 3 342.317 3.703 20 0 EHADHM C[C@@]1(NCc2coc(-c3cccc(F)c3)n2)CCCC[C@H]1C(=O)[O-] ZINC000833568273 604820798 /nfs/dbraw/zinc/82/07/98/604820798.db2.gz CSISPIQFPYPGOZ-MAUKXSAKSA-N -1 3 332.375 3.604 20 0 EHADHM O=C([O-])[C@@H](NCc1cccc(OCc2ccccc2)c1)c1cccnc1 ZINC000833170579 604993830 /nfs/dbraw/zinc/99/38/30/604993830.db2.gz YPFVIVRTWHYSFD-FQEVSTJZSA-N -1 3 348.402 3.576 20 0 EHADHM C/C(=C\CN[C@H](COc1ccccc1F)c1ccccc1)C(=O)[O-] ZINC000833382828 605089141 /nfs/dbraw/zinc/08/91/41/605089141.db2.gz IQRPXXXQPIUWHU-GWKQRERASA-N -1 3 329.371 3.566 20 0 EHADHM C/C(=C/CN[C@@H](COCc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000833384695 605141410 /nfs/dbraw/zinc/14/14/10/605141410.db2.gz RCZGHVINRHCAKF-UIRWJGRMSA-N -1 3 325.408 3.565 20 0 EHADHM CCc1oc(C(=O)[O-])cc1CN[C@H](C)c1cccc(N2CCCC2)c1 ZINC000833680489 605176874 /nfs/dbraw/zinc/17/68/74/605176874.db2.gz KEBNTCTWEHEKQI-CQSZACIVSA-N -1 3 342.439 3.991 20 0 EHADHM C[C@@H](N[C@@H](C)c1ncc(C(C)(C)C)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000820413429 606173214 /nfs/dbraw/zinc/17/32/14/606173214.db2.gz PVONXBZBMUQJTA-NEPJUHHUSA-N -1 3 340.431 3.564 20 0 EHADHM C[C@@H](N[C@@H](C)c1ncc(C(C)(C)C)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000820413429 606173215 /nfs/dbraw/zinc/17/32/15/606173215.db2.gz PVONXBZBMUQJTA-NEPJUHHUSA-N -1 3 340.431 3.564 20 0 EHADHM C[C@@H](Cc1ccc2ccccc2n1)Sc1ccc(-c2nnn[n-]2)cn1 ZINC000820299410 606310247 /nfs/dbraw/zinc/31/02/47/606310247.db2.gz GGWQHIKHHFHQGA-LBPRGKRZSA-N -1 3 348.435 3.533 20 0 EHADHM C[C@@H](Cc1ccc2ccccc2n1)Sc1ccc(-c2nn[n-]n2)cn1 ZINC000820299410 606310248 /nfs/dbraw/zinc/31/02/48/606310248.db2.gz GGWQHIKHHFHQGA-LBPRGKRZSA-N -1 3 348.435 3.533 20 0 EHADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(Cl)cc1 ZINC000820555790 606326584 /nfs/dbraw/zinc/32/65/84/606326584.db2.gz PQITZFIUAGZMIV-JTQLQIEISA-N -1 3 344.827 3.884 20 0 EHADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(Cl)cc1 ZINC000820555790 606326586 /nfs/dbraw/zinc/32/65/86/606326586.db2.gz PQITZFIUAGZMIV-JTQLQIEISA-N -1 3 344.827 3.884 20 0 EHADHM CCCC[C@@H](CCC)NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821042784 606382263 /nfs/dbraw/zinc/38/22/63/606382263.db2.gz ICTXLDZXSJTHHK-XJKSGUPXSA-N -1 3 344.463 3.586 20 0 EHADHM CCCC[C@@H](CCC)NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821042784 606382264 /nfs/dbraw/zinc/38/22/64/606382264.db2.gz ICTXLDZXSJTHHK-XJKSGUPXSA-N -1 3 344.463 3.586 20 0 EHADHM c1cnc(Oc2ccc(Sc3ccncc3)cc2)c(-c2nnn[n-]2)c1 ZINC000823809042 606431395 /nfs/dbraw/zinc/43/13/95/606431395.db2.gz IBBXKPCJQABWFU-UHFFFAOYSA-N -1 3 348.391 3.600 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000822743859 606447271 /nfs/dbraw/zinc/44/72/71/606447271.db2.gz HAAOWBGOTAICML-UWVGGRQHSA-N -1 3 329.301 3.539 20 0 EHADHM CC(C)COc1ccccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820103424 606447899 /nfs/dbraw/zinc/44/78/99/606447899.db2.gz YSQRFNZVFKHHCK-UHFFFAOYSA-N -1 3 341.390 3.653 20 0 EHADHM CC(C)COc1ccccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820103424 606447901 /nfs/dbraw/zinc/44/79/01/606447901.db2.gz YSQRFNZVFKHHCK-UHFFFAOYSA-N -1 3 341.390 3.653 20 0 EHADHM CCN(Cc1cccs1)c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000821231219 606448441 /nfs/dbraw/zinc/44/84/41/606448441.db2.gz ZDAQXGKKRIKWTL-UHFFFAOYSA-N -1 3 336.424 3.503 20 0 EHADHM CCN(Cc1cccs1)c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000821231219 606448443 /nfs/dbraw/zinc/44/84/43/606448443.db2.gz ZDAQXGKKRIKWTL-UHFFFAOYSA-N -1 3 336.424 3.503 20 0 EHADHM FC(F)(F)Cc1cccc(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822718885 606463565 /nfs/dbraw/zinc/46/35/65/606463565.db2.gz SMFXXCMSJVTICN-UHFFFAOYSA-N -1 3 333.317 3.584 20 0 EHADHM FC(F)(F)Cc1cccc(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822718885 606463567 /nfs/dbraw/zinc/46/35/67/606463567.db2.gz SMFXXCMSJVTICN-UHFFFAOYSA-N -1 3 333.317 3.584 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000822743637 606595211 /nfs/dbraw/zinc/59/52/11/606595211.db2.gz BDYVDAKSPFPVAX-ONGXEEELSA-N -1 3 343.328 3.786 20 0 EHADHM FC(F)(F)CCc1ccc(Nc2ncccc2-c2nnn[n-]2)cc1 ZINC000822713895 606610447 /nfs/dbraw/zinc/61/04/47/606610447.db2.gz AYPXSEMXPIVARJ-UHFFFAOYSA-N -1 3 334.305 3.500 20 0 EHADHM FC(F)(F)CCc1ccc(Nc2ncccc2-c2nn[n-]n2)cc1 ZINC000822713895 606610449 /nfs/dbraw/zinc/61/04/49/606610449.db2.gz AYPXSEMXPIVARJ-UHFFFAOYSA-N -1 3 334.305 3.500 20 0 EHADHM CCCCC[C@H](C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000821043703 606667798 /nfs/dbraw/zinc/66/77/98/606667798.db2.gz SVKZDTWCYUDRDY-KRWDZBQOSA-N -1 3 343.475 3.678 20 0 EHADHM CCCCC[C@H](C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000821043703 606667799 /nfs/dbraw/zinc/66/77/99/606667799.db2.gz SVKZDTWCYUDRDY-KRWDZBQOSA-N -1 3 343.475 3.678 20 0 EHADHM Cc1nc(CSCc2cc(-c3nnn[n-]3)ccc2F)sc1C ZINC000822444442 606695180 /nfs/dbraw/zinc/69/51/80/606695180.db2.gz RLMBNBKCHBCWHD-UHFFFAOYSA-N -1 3 335.433 3.513 20 0 EHADHM Cc1nc(CSCc2cc(-c3nn[n-]n3)ccc2F)sc1C ZINC000822444442 606695181 /nfs/dbraw/zinc/69/51/81/606695181.db2.gz RLMBNBKCHBCWHD-UHFFFAOYSA-N -1 3 335.433 3.513 20 0 EHADHM CC1(C)C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)c2ccccc2O1 ZINC000820589069 606725575 /nfs/dbraw/zinc/72/55/75/606725575.db2.gz ABLWPQAZYMJPHG-CQSZACIVSA-N -1 3 339.374 3.720 20 0 EHADHM CC1(C)C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)c2ccccc2O1 ZINC000820589069 606725577 /nfs/dbraw/zinc/72/55/77/606725577.db2.gz ABLWPQAZYMJPHG-CQSZACIVSA-N -1 3 339.374 3.720 20 0 EHADHM Fc1ccc2oc(C(Cl)=Cc3ccc(-c4nnn[n-]4)s3)nc2c1 ZINC000822786423 606763852 /nfs/dbraw/zinc/76/38/52/606763852.db2.gz JWVYXNPLCOJBDY-RMKNXTFCSA-N -1 3 347.762 3.945 20 0 EHADHM Clc1ccc(CSc2ccc(-c3nnn[n-]3)cc2Cl)cn1 ZINC000822573734 606852280 /nfs/dbraw/zinc/85/22/80/606852280.db2.gz GQMABKTTWYAWBR-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM Clc1ccc(CSc2ccc(-c3nn[n-]n3)cc2Cl)cn1 ZINC000822573734 606852281 /nfs/dbraw/zinc/85/22/81/606852281.db2.gz GQMABKTTWYAWBR-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)c1ccccc1 ZINC000820548929 606852996 /nfs/dbraw/zinc/85/29/96/606852996.db2.gz IQRSHXFWDQKQEB-JTQLQIEISA-N -1 3 344.827 3.884 20 0 EHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)c1ccccc1 ZINC000820548929 606852997 /nfs/dbraw/zinc/85/29/97/606852997.db2.gz IQRSHXFWDQKQEB-JTQLQIEISA-N -1 3 344.827 3.884 20 0 EHADHM CCCOc1cc(C)ccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821128461 606926809 /nfs/dbraw/zinc/92/68/09/606926809.db2.gz UPWPFLCABUEBGR-UHFFFAOYSA-N -1 3 341.390 3.715 20 0 EHADHM CCCOc1cc(C)ccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821128461 606926810 /nfs/dbraw/zinc/92/68/10/606926810.db2.gz UPWPFLCABUEBGR-UHFFFAOYSA-N -1 3 341.390 3.715 20 0 EHADHM CC=C(C=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1NCCC)CC ZINC000820831665 607044963 /nfs/dbraw/zinc/04/49/63/607044963.db2.gz AOHCTCCIELBNPH-SLHOPRNSSA-N -1 3 340.431 3.540 20 0 EHADHM CCCCc1nc(CNc2ccc(-c3nn[n-]n3)cc2Cl)cs1 ZINC000821077749 607123873 /nfs/dbraw/zinc/12/38/73/607123873.db2.gz RSHOFKFDUWTSFC-UHFFFAOYSA-N -1 3 348.863 3.931 20 0 EHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC[C@@H]1CCC1CCCC1 ZINC000823472671 607163731 /nfs/dbraw/zinc/16/37/31/607163731.db2.gz UUQFMDCGSQGJAS-CQSZACIVSA-N -1 3 345.472 3.503 20 0 EHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC[C@@H]1CCC1CCCC1 ZINC000823472671 607163732 /nfs/dbraw/zinc/16/37/32/607163732.db2.gz UUQFMDCGSQGJAS-CQSZACIVSA-N -1 3 345.472 3.503 20 0 EHADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C1CCCCC1 ZINC000820373180 607201535 /nfs/dbraw/zinc/20/15/35/607201535.db2.gz FZTRJGKISGYLRR-JTQLQIEISA-N -1 3 348.838 3.610 20 0 EHADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C1CCCCC1 ZINC000820373180 607201536 /nfs/dbraw/zinc/20/15/36/607201536.db2.gz FZTRJGKISGYLRR-JTQLQIEISA-N -1 3 348.838 3.610 20 0 EHADHM COc1ccc(CNc2cc(-c3nnn[n-]3)ccc2C(F)(F)F)cc1 ZINC000821821649 607225885 /nfs/dbraw/zinc/22/58/85/607225885.db2.gz PIUMJFIVSBEXOK-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM COc1ccc(CNc2cc(-c3nn[n-]n3)ccc2C(F)(F)F)cc1 ZINC000821821649 607225886 /nfs/dbraw/zinc/22/58/86/607225886.db2.gz PIUMJFIVSBEXOK-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM OCCCCCCCSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826509356 607845001 /nfs/dbraw/zinc/84/50/01/607845001.db2.gz SOOKKKNINZHHIQ-UHFFFAOYSA-N -1 3 326.853 3.555 20 0 EHADHM OCCCCCCCSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826509356 607845002 /nfs/dbraw/zinc/84/50/02/607845002.db2.gz SOOKKKNINZHHIQ-UHFFFAOYSA-N -1 3 326.853 3.555 20 0 EHADHM Cc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1Cl ZINC000826296033 607861601 /nfs/dbraw/zinc/86/16/01/607861601.db2.gz HIWBJGOEWQNGHB-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1Cl ZINC000826296033 607861602 /nfs/dbraw/zinc/86/16/02/607861602.db2.gz HIWBJGOEWQNGHB-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM C[C@H](NC(=O)C[C@@H]1CCCC(C)(C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824478277 607881219 /nfs/dbraw/zinc/88/12/19/607881219.db2.gz GHFILKBKRIEUFG-KBPBESRZSA-N -1 3 341.459 3.650 20 0 EHADHM C[C@H](NC(=O)C[C@@H]1CCCC(C)(C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824478277 607881220 /nfs/dbraw/zinc/88/12/20/607881220.db2.gz GHFILKBKRIEUFG-KBPBESRZSA-N -1 3 341.459 3.650 20 0 EHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cscc1Cl ZINC000825782875 607975783 /nfs/dbraw/zinc/97/57/83/607975783.db2.gz SURUQXAOBBWYLW-UHFFFAOYSA-N -1 3 330.804 3.618 20 0 EHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cscc1Cl ZINC000825782875 607975784 /nfs/dbraw/zinc/97/57/84/607975784.db2.gz SURUQXAOBBWYLW-UHFFFAOYSA-N -1 3 330.804 3.618 20 0 EHADHM Cc1ccc(-c2ncco2)cc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000826273734 607977538 /nfs/dbraw/zinc/97/75/38/607977538.db2.gz RHMYFGNZQQPBHF-UHFFFAOYSA-N -1 3 338.396 3.504 20 0 EHADHM Clc1cc(CNCc2cccc(-c3nn[n-]n3)c2)c(Cl)s1 ZINC000826351092 608162267 /nfs/dbraw/zinc/16/22/67/608162267.db2.gz WVONMZQWNAXOGR-UHFFFAOYSA-N -1 3 340.239 3.525 20 0 EHADHM C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)c1ccccc1 ZINC000824756839 608205981 /nfs/dbraw/zinc/20/59/81/608205981.db2.gz QFVYOKZKADMKER-JTQLQIEISA-N -1 3 344.827 3.884 20 0 EHADHM C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)c1ccccc1 ZINC000824756839 608205982 /nfs/dbraw/zinc/20/59/82/608205982.db2.gz QFVYOKZKADMKER-JTQLQIEISA-N -1 3 344.827 3.884 20 0 EHADHM CC(C)(C)Oc1cc(F)ccc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000824119676 608242420 /nfs/dbraw/zinc/24/24/20/608242420.db2.gz NTVPCKGPRWIHTL-UHFFFAOYSA-N -1 3 347.419 3.857 20 0 EHADHM C[C@H](OC(=O)[C@@H](c1ccccc1)C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824712566 608247822 /nfs/dbraw/zinc/24/78/22/608247822.db2.gz BALONXRFPPHMLY-UGSOOPFHSA-N -1 3 348.406 3.665 20 0 EHADHM C[C@H](OC(=O)[C@@H](c1ccccc1)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824712566 608247824 /nfs/dbraw/zinc/24/78/24/608247824.db2.gz BALONXRFPPHMLY-UGSOOPFHSA-N -1 3 348.406 3.665 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1ccc(C2CC2)cc1 ZINC000826277828 608260546 /nfs/dbraw/zinc/26/05/46/608260546.db2.gz IKWCAXXTGPHPLR-UHFFFAOYSA-N -1 3 334.383 3.697 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1ccc(C2CC2)cc1 ZINC000826277828 608260548 /nfs/dbraw/zinc/26/05/48/608260548.db2.gz IKWCAXXTGPHPLR-UHFFFAOYSA-N -1 3 334.383 3.697 20 0 EHADHM CC(C)(C)c1cnc(SCc2cccc(-c3nnn[n-]3)c2F)o1 ZINC000824135140 608397903 /nfs/dbraw/zinc/39/79/03/608397903.db2.gz AZPVPIRWRQMMTM-UHFFFAOYSA-N -1 3 333.392 3.584 20 0 EHADHM CC(C)(C)c1cnc(SCc2cccc(-c3nn[n-]n3)c2F)o1 ZINC000824135140 608397905 /nfs/dbraw/zinc/39/79/05/608397905.db2.gz AZPVPIRWRQMMTM-UHFFFAOYSA-N -1 3 333.392 3.584 20 0 EHADHM CC(C)(C)Oc1cccc(CSc2cccc(-c3nnn[n-]3)c2)n1 ZINC000824124764 608543245 /nfs/dbraw/zinc/54/32/45/608543245.db2.gz ZQGHTZHUOCCBKU-UHFFFAOYSA-N -1 3 341.440 3.731 20 0 EHADHM CC(C)(C)Oc1cccc(CSc2cccc(-c3nn[n-]n3)c2)n1 ZINC000824124764 608543246 /nfs/dbraw/zinc/54/32/46/608543246.db2.gz ZQGHTZHUOCCBKU-UHFFFAOYSA-N -1 3 341.440 3.731 20 0 EHADHM c1csc(CCCNc2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000826526429 608797396 /nfs/dbraw/zinc/79/73/96/608797396.db2.gz YPWGHFREKZNZJT-UHFFFAOYSA-N -1 3 336.424 3.521 20 0 EHADHM c1csc(CCCNc2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000826526429 608797399 /nfs/dbraw/zinc/79/73/99/608797399.db2.gz YPWGHFREKZNZJT-UHFFFAOYSA-N -1 3 336.424 3.521 20 0 EHADHM Fc1ccc(C=C(Cl)c2nc3ccccc3o2)cc1-c1nnn[n-]1 ZINC000826374122 608876919 /nfs/dbraw/zinc/87/69/19/608876919.db2.gz LWUMRMQAGFMJCY-DHZHZOJOSA-N -1 3 341.733 3.884 20 0 EHADHM Fc1ccc(C=C(Cl)c2nc3ccccc3o2)cc1-c1nn[n-]n1 ZINC000826374122 608876921 /nfs/dbraw/zinc/87/69/21/608876921.db2.gz LWUMRMQAGFMJCY-DHZHZOJOSA-N -1 3 341.733 3.884 20 0 EHADHM C[C@@H](Nc1ccc(OC(F)F)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824658360 609180117 /nfs/dbraw/zinc/18/01/17/609180117.db2.gz WJRBBSFUGIAXSD-SECBINFHSA-N -1 3 349.316 3.780 20 0 EHADHM C[C@@H](Nc1ccc(OC(F)F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824658360 609180118 /nfs/dbraw/zinc/18/01/18/609180118.db2.gz WJRBBSFUGIAXSD-SECBINFHSA-N -1 3 349.316 3.780 20 0 EHADHM Cc1nc2cc(N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)ccc2s1 ZINC000826329270 609269219 /nfs/dbraw/zinc/26/92/19/609269219.db2.gz WPUHVECBOVLETD-SNVBAGLBSA-N -1 3 336.424 3.958 20 0 EHADHM Cc1nc2cc(N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)ccc2s1 ZINC000826329270 609269220 /nfs/dbraw/zinc/26/92/20/609269220.db2.gz WPUHVECBOVLETD-SNVBAGLBSA-N -1 3 336.424 3.958 20 0 EHADHM Cc1cc(Cl)c(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1C ZINC000826267349 609280561 /nfs/dbraw/zinc/28/05/61/609280561.db2.gz BFJPXFZIEBKKCL-UHFFFAOYSA-N -1 3 345.765 3.528 20 0 EHADHM Cc1cc(Cl)c(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1C ZINC000826267349 609280563 /nfs/dbraw/zinc/28/05/63/609280563.db2.gz BFJPXFZIEBKKCL-UHFFFAOYSA-N -1 3 345.765 3.528 20 0 EHADHM c1ccc(-c2ccc(CSc3cccnn3)cc2)c(-c2nnn[n-]2)c1 ZINC000826526399 609310363 /nfs/dbraw/zinc/31/03/63/609310363.db2.gz XBYZDRDHFINUBN-UHFFFAOYSA-N -1 3 346.419 3.616 20 0 EHADHM c1ccc(-c2ccc(CSc3cccnn3)cc2)c(-c2nn[n-]n2)c1 ZINC000826526399 609310365 /nfs/dbraw/zinc/31/03/65/609310365.db2.gz XBYZDRDHFINUBN-UHFFFAOYSA-N -1 3 346.419 3.616 20 0 EHADHM C[C@@H](N[C@@H](C)c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824530474 609327287 /nfs/dbraw/zinc/32/72/87/609327287.db2.gz LXRWPCYSBCBONF-ZJUUUORDSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@@H](N[C@@H](C)c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000824530474 609327291 /nfs/dbraw/zinc/32/72/91/609327291.db2.gz LXRWPCYSBCBONF-ZJUUUORDSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@@H](NCc1cc2ccccc2o1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824612236 609329319 /nfs/dbraw/zinc/32/93/19/609329319.db2.gz LGNNJLBRDZDKGN-LLVKDONJSA-N -1 3 337.358 3.603 20 0 EHADHM C[C@H](N[C@@H](C)c1cccc(F)c1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824530930 609344745 /nfs/dbraw/zinc/34/47/45/609344745.db2.gz NGAGXACNBYWTMG-UWVGGRQHSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@H](N[C@@H](C)c1cccc(F)c1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000824530930 609344747 /nfs/dbraw/zinc/34/47/47/609344747.db2.gz NGAGXACNBYWTMG-UWVGGRQHSA-N -1 3 347.344 3.696 20 0 EHADHM CCOc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000825643463 609346370 /nfs/dbraw/zinc/34/63/70/609346370.db2.gz OLSYVEQKTWSEPN-LBPRGKRZSA-N -1 3 341.390 3.886 20 0 EHADHM CCOc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000825643463 609346371 /nfs/dbraw/zinc/34/63/71/609346371.db2.gz OLSYVEQKTWSEPN-LBPRGKRZSA-N -1 3 341.390 3.886 20 0 EHADHM COc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000826210160 609347024 /nfs/dbraw/zinc/34/70/24/609347024.db2.gz HBFDSFNKHHFYOI-SECBINFHSA-N -1 3 347.781 3.841 20 0 EHADHM COc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000826210160 609347025 /nfs/dbraw/zinc/34/70/25/609347025.db2.gz HBFDSFNKHHFYOI-SECBINFHSA-N -1 3 347.781 3.841 20 0 EHADHM COc1c(C)ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000826166833 609347067 /nfs/dbraw/zinc/34/70/67/609347067.db2.gz CZXGDNVSSCVAJP-GFCCVEGCSA-N -1 3 341.390 3.804 20 0 EHADHM COc1c(C)ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000826166833 609347068 /nfs/dbraw/zinc/34/70/68/609347068.db2.gz CZXGDNVSSCVAJP-GFCCVEGCSA-N -1 3 341.390 3.804 20 0 EHADHM CC(C)[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1F ZINC000824200710 609386817 /nfs/dbraw/zinc/38/68/17/609386817.db2.gz SKQHRAIUPZXHAX-OAHLLOKOSA-N -1 3 346.797 3.863 20 0 EHADHM CC(C)[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1F ZINC000824200710 609386818 /nfs/dbraw/zinc/38/68/18/609386818.db2.gz SKQHRAIUPZXHAX-OAHLLOKOSA-N -1 3 346.797 3.863 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1cnc(C2CCCC2)s1 ZINC000826278464 609479689 /nfs/dbraw/zinc/47/96/89/609479689.db2.gz DKGVMFYYKJBILF-UHFFFAOYSA-N -1 3 340.456 3.901 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1cnc(C2CCCC2)s1 ZINC000826278464 609479690 /nfs/dbraw/zinc/47/96/90/609479690.db2.gz DKGVMFYYKJBILF-UHFFFAOYSA-N -1 3 340.456 3.901 20 0 EHADHM Cc1c(Cl)cnc(NCc2coc3ccccc23)c1-c1nnn[n-]1 ZINC000826240294 609553368 /nfs/dbraw/zinc/55/33/68/609553368.db2.gz LSKJYQRHQPAUEP-UHFFFAOYSA-N -1 3 340.774 3.582 20 0 EHADHM Cc1c(Cl)cnc(NCc2coc3ccccc23)c1-c1nn[n-]n1 ZINC000826240294 609553370 /nfs/dbraw/zinc/55/33/70/609553370.db2.gz LSKJYQRHQPAUEP-UHFFFAOYSA-N -1 3 340.774 3.582 20 0 EHADHM Cc1ccnc(N[C@H](c2ccc(F)c(C)c2)C2CC2)c1-c1nnn[n-]1 ZINC000826262610 609583669 /nfs/dbraw/zinc/58/36/69/609583669.db2.gz TWBBNURQRIZLAA-INIZCTEOSA-N -1 3 338.390 3.581 20 0 EHADHM Cc1ccnc(N[C@H](c2ccc(F)c(C)c2)C2CC2)c1-c1nn[n-]n1 ZINC000826262610 609583671 /nfs/dbraw/zinc/58/36/71/609583671.db2.gz TWBBNURQRIZLAA-INIZCTEOSA-N -1 3 338.390 3.581 20 0 EHADHM C[C@H](C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000819868451 945300934 /nfs/dbraw/zinc/30/09/34/945300934.db2.gz YFZFBCBSBCFNNC-LBPRGKRZSA-N -1 3 349.394 3.644 20 0 EHADHM C[C@H](C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC000819868451 945300940 /nfs/dbraw/zinc/30/09/40/945300940.db2.gz YFZFBCBSBCFNNC-LBPRGKRZSA-N -1 3 349.394 3.644 20 0 EHADHM Cc1ccc(CNc2cccc(-c3nnn[n-]3)c2)cc1Br ZINC000127944437 944624695 /nfs/dbraw/zinc/62/46/95/944624695.db2.gz RTANAIZAVRSEOU-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM Cc1ccc(CNc2cccc(-c3nn[n-]n3)c2)cc1Br ZINC000127944437 944624699 /nfs/dbraw/zinc/62/46/99/944624699.db2.gz RTANAIZAVRSEOU-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM CCCCCC[C@H](C)CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736443606 944824186 /nfs/dbraw/zinc/82/41/86/944824186.db2.gz APHLGAFSRHEMJI-ZDUSSCGKSA-N -1 3 347.438 3.965 20 0 EHADHM CCCCCC[C@H](C)CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736443606 944824195 /nfs/dbraw/zinc/82/41/95/944824195.db2.gz APHLGAFSRHEMJI-ZDUSSCGKSA-N -1 3 347.438 3.965 20 0 EHADHM COCc1ccc(S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821695738 945830055 /nfs/dbraw/zinc/83/00/55/945830055.db2.gz GKVLKQCTYAALOE-LBPRGKRZSA-N -1 3 326.425 3.866 20 0 EHADHM COCc1ccc(S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821695738 945830064 /nfs/dbraw/zinc/83/00/64/945830064.db2.gz GKVLKQCTYAALOE-LBPRGKRZSA-N -1 3 326.425 3.866 20 0 EHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@H]1c1ccco1 ZINC000822331954 946056909 /nfs/dbraw/zinc/05/69/09/946056909.db2.gz JVVUHQPRHXAANU-HNNXBMFYSA-N -1 3 346.394 3.658 20 0 EHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCC[C@H]1c1ccco1 ZINC000822331954 946056922 /nfs/dbraw/zinc/05/69/22/946056922.db2.gz JVVUHQPRHXAANU-HNNXBMFYSA-N -1 3 346.394 3.658 20 0 EHADHM Cc1nc(-c2cccc(NCc3cccc(-c4nnn[n-]4)c3)c2)cs1 ZINC000826323098 947944563 /nfs/dbraw/zinc/94/45/63/947944563.db2.gz PUKMTNOMEAHBOR-UHFFFAOYSA-N -1 3 348.435 3.911 20 0 EHADHM Cc1nc(-c2cccc(NCc3cccc(-c4nn[n-]n4)c3)c2)cs1 ZINC000826323098 947944570 /nfs/dbraw/zinc/94/45/70/947944570.db2.gz PUKMTNOMEAHBOR-UHFFFAOYSA-N -1 3 348.435 3.911 20 0 EHADHM Clc1cccc(SCc2ncc(C3CC3)o2)c1-c1nnn[n-]1 ZINC000826353532 948104177 /nfs/dbraw/zinc/10/41/77/948104177.db2.gz TWVJMYZPGSMLLT-UHFFFAOYSA-N -1 3 333.804 3.678 20 0 EHADHM Clc1cccc(SCc2ncc(C3CC3)o2)c1-c1nn[n-]n1 ZINC000826353532 948104186 /nfs/dbraw/zinc/10/41/86/948104186.db2.gz TWVJMYZPGSMLLT-UHFFFAOYSA-N -1 3 333.804 3.678 20 0 EHADHM C[C@H](C(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)C1CCC1 ZINC001573755856 948785115 /nfs/dbraw/zinc/78/51/15/948785115.db2.gz UBNDZFQNAYULOE-ZDUSSCGKSA-N -1 3 348.406 3.875 20 0 EHADHM C[C@H](C(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)C1CCC1 ZINC001573755856 948785123 /nfs/dbraw/zinc/78/51/23/948785123.db2.gz UBNDZFQNAYULOE-ZDUSSCGKSA-N -1 3 348.406 3.875 20 0 EHADHM CC(C)c1occc1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001574446257 949123505 /nfs/dbraw/zinc/12/35/05/949123505.db2.gz LQLXRMUWBMDZQR-LLVKDONJSA-N -1 3 326.356 3.501 20 0 EHADHM CC(C)c1occc1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001574446257 949123514 /nfs/dbraw/zinc/12/35/14/949123514.db2.gz LQLXRMUWBMDZQR-LLVKDONJSA-N -1 3 326.356 3.501 20 0 EHADHM C[C@H]1CCCC[C@H]1C(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001576168812 949648229 /nfs/dbraw/zinc/64/82/29/949648229.db2.gz GVCJIHISMPFWSX-WDEREUQCSA-N -1 3 347.488 3.991 20 0 EHADHM C[C@H]1CCCC[C@H]1C(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001576168812 949648244 /nfs/dbraw/zinc/64/82/44/949648244.db2.gz GVCJIHISMPFWSX-WDEREUQCSA-N -1 3 347.488 3.991 20 0 EHADHM C[C@H](c1cccc(Br)c1)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000302493630 950567457 /nfs/dbraw/zinc/56/74/57/950567457.db2.gz JMYQHPXCLLSKLI-JTNHKYCSSA-N -1 3 326.234 3.553 20 0 EHADHM C[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F)C1CCCCC1 ZINC001574520087 950712176 /nfs/dbraw/zinc/71/21/76/950712176.db2.gz LLPYAOHFQMRWOB-SNVBAGLBSA-N -1 3 349.385 3.690 20 0 EHADHM C[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F)C1CCCCC1 ZINC001574520087 950712194 /nfs/dbraw/zinc/71/21/94/950712194.db2.gz LLPYAOHFQMRWOB-SNVBAGLBSA-N -1 3 349.385 3.690 20 0 EHADHM C[C@H](c1ccc(Br)cc1)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000521434875 953553952 /nfs/dbraw/zinc/55/39/52/953553952.db2.gz DDMGOVNJJQSFDN-GYSYKLTISA-N -1 3 326.234 3.553 20 0 EHADHM C[C@H](CCN1Cc2ccccc2[C@H](C(=O)[O-])C1)OCc1ccccc1 ZINC000652470183 954086327 /nfs/dbraw/zinc/08/63/27/954086327.db2.gz QDQYDJTVLXVHHF-OXQOHEQNSA-N -1 3 339.435 3.666 20 0 EHADHM O=C([O-])c1cccc(CNCc2cccc(OC(F)(F)F)c2)c1 ZINC000683176142 954603209 /nfs/dbraw/zinc/60/32/09/954603209.db2.gz IEGBFBISAKVITE-UHFFFAOYSA-N -1 3 325.286 3.573 20 0 EHADHM O=C([O-])c1ccc(CNCc2ccnc(N3CCCCCC3)c2)s1 ZINC000903678726 956859689 /nfs/dbraw/zinc/85/96/89/956859689.db2.gz RJELXXVFSLGXET-UHFFFAOYSA-N -1 3 345.468 3.512 20 0 EHADHM CC[C@H]1CN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CCCO1 ZINC000391309184 972328511 /nfs/dbraw/zinc/32/85/11/972328511.db2.gz XGHWYQBFBRFDHB-NSHDSACASA-N -1 3 337.416 3.740 20 0 EHADHM C[C@@H]1[C@@H](C)CCCN1Cc1ccc(C(=O)[O-])cc1Br ZINC000226728047 959897706 /nfs/dbraw/zinc/89/77/06/959897706.db2.gz PVCZPGHOJJUTRL-WDEREUQCSA-N -1 3 326.234 3.768 20 0 EHADHM CC[C@H](C)[C@H](NCc1csc(COc2ccc(C)cc2)n1)C(=O)[O-] ZINC001320734067 960984276 /nfs/dbraw/zinc/98/42/76/960984276.db2.gz ZUDZEWIOYLIZSZ-GUYCJALGSA-N -1 3 348.468 3.619 20 0 EHADHM CC(C)c1nc(CN[C@@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])cs1 ZINC001339153456 962015878 /nfs/dbraw/zinc/01/58/78/962015878.db2.gz ZAUGJKAYLOXDFT-XJKSGUPXSA-N -1 3 332.469 3.688 20 0 EHADHM CC[C@H](NCc1cc(=O)[n-]c(-c2ccccc2)n1)c1nc(C)cs1 ZINC000459409674 1032074204 /nfs/dbraw/zinc/07/42/04/1032074204.db2.gz ROWVIKAHLHCBIE-HNNXBMFYSA-N -1 3 340.452 3.855 20 0 EHADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN[C@H]3C[C@@H]3C3CCCCC3)o2)C1 ZINC001605997399 973067023 /nfs/dbraw/zinc/06/70/23/973067023.db2.gz CNOSYVXTAMJONN-NXHRZFHOSA-N -1 3 346.471 3.639 20 0 EHADHM O=C([O-])[C@@H](NCc1ccc(OC(F)F)c(Cl)c1)c1cccs1 ZINC000426808526 974048777 /nfs/dbraw/zinc/04/87/77/974048777.db2.gz RWMQRNBPBZSSOK-LBPRGKRZSA-N -1 3 347.770 3.918 20 0 EHADHM Cc1ccc(CN([C@H](C)C(=O)[O-])C2CCC2)c(Br)c1 ZINC000563633859 974536932 /nfs/dbraw/zinc/53/69/32/974536932.db2.gz BBFXUCCEUVIBOU-LLVKDONJSA-N -1 3 326.234 3.585 20 0 EHADHM O=C([O-])c1ccc(CN2CCSC3(CCC3)CC2)cc1Cl ZINC000563822412 974540229 /nfs/dbraw/zinc/54/02/29/974540229.db2.gz RIUZEDDSQSZXEF-UHFFFAOYSA-N -1 3 325.861 3.900 20 0 EHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)Cc1ccc(OC(F)F)cc1 ZINC000573855843 974772491 /nfs/dbraw/zinc/77/24/91/974772491.db2.gz ZALIJFAIIFTEJQ-JTQLQIEISA-N -1 3 325.311 3.772 20 0 EHADHM C[C@]12CCN([C@@H](C(=O)[O-])c3ccccc3C(F)(F)F)C[C@H]1C2(F)F ZINC000574533349 974784424 /nfs/dbraw/zinc/78/44/24/974784424.db2.gz FRUPSKOSCNTGIQ-BZPMIXESSA-N -1 3 349.299 3.808 20 0 EHADHM Cc1oc(CN2CCC[C@H](c3ccc(F)c(F)c3)C2)cc1C(=O)[O-] ZINC000625970943 975067088 /nfs/dbraw/zinc/06/70/88/975067088.db2.gz FKYXACDYZBJCBW-ZDUSSCGKSA-N -1 3 335.350 3.944 20 0 EHADHM Cc1oc(C(=O)[O-])cc1CN1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000629365433 975084638 /nfs/dbraw/zinc/08/46/38/975084638.db2.gz WVNULNJZJLLRQE-ZDUSSCGKSA-N -1 3 335.350 3.944 20 0 EHADHM Cc1nn(-c2ccccc2)cc1CNCc1cccc([O-])c1Cl ZINC000339347361 1014265176 /nfs/dbraw/zinc/26/51/76/1014265176.db2.gz XARZPCVBQCNPST-UHFFFAOYSA-N -1 3 327.815 3.830 20 0 EHADHM CC(C)O[C@@H]1C[C@H](N[C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1(C)C ZINC001591696796 975539194 /nfs/dbraw/zinc/53/91/94/975539194.db2.gz XTOOGQRITOHOIK-GZBFAFLISA-N -1 3 343.826 3.787 20 0 EHADHM O=C([O-])[C@@H]1CN(Cc2ncc(-c3ccc(Cl)cc3)o2)C[C@H]1C1CC1 ZINC000652515117 975572743 /nfs/dbraw/zinc/57/27/43/975572743.db2.gz PDQIRNJAFRWFGR-LSDHHAIUSA-N -1 3 346.814 3.538 20 0 EHADHM O=C([O-])[C@@H](NCc1ccc(F)cc1)c1cccc(Br)c1 ZINC000683172439 976077110 /nfs/dbraw/zinc/07/71/10/976077110.db2.gz AAYTYMKKDGXDOS-AWEZNQCLSA-N -1 3 338.176 3.504 20 0 EHADHM CC(C)c1[nH]c(CN[C@H](C)c2ccc3c(c2)CCO3)cc1C(=O)[O-] ZINC001591918705 976385818 /nfs/dbraw/zinc/38/58/18/976385818.db2.gz VFZXMLWFEZYKRP-GFCCVEGCSA-N -1 3 328.412 3.622 20 0 EHADHM CCSc1cccc(CN[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)c1 ZINC000859816413 979647065 /nfs/dbraw/zinc/64/70/65/979647065.db2.gz DFSWXVOLYBNJEP-GOSISDBHSA-N -1 3 343.448 3.649 20 0 EHADHM CCSc1cccc(CN[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)c1 ZINC000859816414 979647267 /nfs/dbraw/zinc/64/72/67/979647267.db2.gz DFSWXVOLYBNJEP-SFHVURJKSA-N -1 3 343.448 3.649 20 0 EHADHM Cc1c(C(=O)Nc2ccc(Cl)cc2[O-])cnn1-c1ccc(F)cc1 ZINC000153572047 1014597616 /nfs/dbraw/zinc/59/76/16/1014597616.db2.gz SPUZOBQNVAXKDV-UHFFFAOYSA-N -1 3 345.761 3.931 20 0 EHADHM COc1ccc(C(=O)[O-])c2c1CN(CCCSCC(C)C)CC2 ZINC000872166038 980060794 /nfs/dbraw/zinc/06/07/94/980060794.db2.gz AZGYMQCYVFPKDL-UHFFFAOYSA-N -1 3 337.485 3.531 20 0 EHADHM O=C([O-])CCc1cccc(NC2CCN(CCC(F)(F)F)CC2)c1 ZINC000887470345 980222940 /nfs/dbraw/zinc/22/29/40/980222940.db2.gz LYZMVLGMGYGXAR-UHFFFAOYSA-N -1 3 344.377 3.533 20 0 EHADHM CC[C@H](N[C@@H](COC)c1cccc(OC)c1)c1ccc(C(=O)[O-])cc1 ZINC001595281476 980335340 /nfs/dbraw/zinc/33/53/40/980335340.db2.gz OWCQHJVZYQRVTB-OALUTQOASA-N -1 3 343.423 3.822 20 0 EHADHM CC[C@H](N[C@H](COC)c1cccc(OC)c1)c1ccc(C(=O)[O-])cc1 ZINC001595281477 980335417 /nfs/dbraw/zinc/33/54/17/980335417.db2.gz OWCQHJVZYQRVTB-RBUKOAKNSA-N -1 3 343.423 3.822 20 0 EHADHM Cc1cc(CN(CCC(=O)[O-])CC(C)C)c(Br)cc1F ZINC000901592290 980396972 /nfs/dbraw/zinc/39/69/72/980396972.db2.gz DISRYAXORBYHPM-UHFFFAOYSA-N -1 3 346.240 3.829 20 0 EHADHM CC(C)O[C@@H](CN[C@@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000901748160 980479132 /nfs/dbraw/zinc/47/91/32/980479132.db2.gz HQUCBGDBZNPYGJ-ZWKOTPCHSA-N -1 3 331.387 3.707 20 0 EHADHM CCCCOc1ccccc1CN1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000901786342 980516488 /nfs/dbraw/zinc/51/64/88/980516488.db2.gz LFWWWKFHWAWXTM-MRXNPFEDSA-N -1 3 345.361 3.705 20 0 EHADHM CC(C)COc1ccc(CN2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC000901790431 980521806 /nfs/dbraw/zinc/52/18/06/980521806.db2.gz WZNLMCXLRREYNQ-MRXNPFEDSA-N -1 3 345.361 3.560 20 0 EHADHM C[C@@H](NCc1csc(C(C)(C)C)n1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000901871485 980584027 /nfs/dbraw/zinc/58/40/27/980584027.db2.gz MFKUHVIYOSQPQU-CZUORRHYSA-N -1 3 346.496 3.862 20 0 EHADHM C[C@@H](N[C@@H](C)CCc1ccc(F)cc1F)c1ncc(C(=O)[O-])s1 ZINC000901908079 980620641 /nfs/dbraw/zinc/62/06/41/980620641.db2.gz NRECJQKIEMBFQT-VHSXEESVSA-N -1 3 340.395 3.791 20 0 EHADHM C[C@@H](CCc1c[nH]c2ccccc12)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000901910350 980622728 /nfs/dbraw/zinc/62/27/28/980622728.db2.gz HIBBDANGBDOJCW-RYUDHWBXSA-N -1 3 343.452 3.995 20 0 EHADHM Cc1cccnc1[C@@H]1CCC[C@H](N[C@@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC000901911397 980623576 /nfs/dbraw/zinc/62/35/76/980623576.db2.gz KJKOMFNQYUSCNF-MJBXVCDLSA-N -1 3 345.468 3.922 20 0 EHADHM Cc1[nH]c2ccc(CNCc3ccc(OCC(=O)[O-])cc3)cc2c1C ZINC000902186163 980774336 /nfs/dbraw/zinc/77/43/36/980774336.db2.gz ATSQCYKTXTXSIP-UHFFFAOYSA-N -1 3 338.407 3.538 20 0 EHADHM C[C@@H](CC(C)(C)CC(=O)[O-])NCc1c(F)cccc1OC(F)F ZINC000902340147 980839978 /nfs/dbraw/zinc/83/99/78/980839978.db2.gz LUJGSAFIIAIQLA-JTQLQIEISA-N -1 3 333.350 3.796 20 0 EHADHM COc1ccccc1[C@H](CNCc1csc(C(=O)[O-])c1)OC(C)C ZINC000902369391 980857513 /nfs/dbraw/zinc/85/75/13/980857513.db2.gz VTXZAPXKBABIJJ-INIZCTEOSA-N -1 3 349.452 3.711 20 0 EHADHM CC(C)(C)c1nnc(CN[C@@H]2CCC[C@H](CCCC(=O)[O-])C2)s1 ZINC000902401151 980871151 /nfs/dbraw/zinc/87/11/51/980871151.db2.gz GYUUKQMYEVKAES-CHWSQXEVSA-N -1 3 339.505 3.739 20 0 EHADHM O=C([O-])c1ccc(CN2CCC[C@H]3CCC[C@H]32)cc1Br ZINC000902523288 980919960 /nfs/dbraw/zinc/91/99/60/980919960.db2.gz BLXQVROIUZWHEO-IUODEOHRSA-N -1 3 338.245 3.912 20 0 EHADHM Cc1ccc(CN2CCC(c3c[nH]c4ccc(C(=O)[O-])cc43)CC2)nc1 ZINC000902568540 980937496 /nfs/dbraw/zinc/93/74/96/980937496.db2.gz JUDAZLXBVSNTFH-UHFFFAOYSA-N -1 3 349.434 3.949 20 0 EHADHM O=C([O-])c1ccc(Cl)c(CN2C[C@H]3C[C@@]3(c3ccccc3)C2)c1 ZINC000903628044 981004096 /nfs/dbraw/zinc/00/40/96/981004096.db2.gz VQUDHISJBHIXIO-APWZRJJASA-N -1 3 327.811 3.812 20 0 EHADHM CCCN(Cc1ccc(OC)cc1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000648132594 1014707721 /nfs/dbraw/zinc/70/77/21/1014707721.db2.gz IPGSGAQLVCUJHQ-UHFFFAOYSA-N -1 3 331.387 3.521 20 0 EHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(OC(C)C)cc2)cc1 ZINC000683171846 1014722931 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CCCOc1ccc(CN(CCC(F)(F)F)CC(=O)[O-])cc1C ZINC001595954605 983139272 /nfs/dbraw/zinc/13/92/72/983139272.db2.gz PCHZQMBMYRCBFL-UHFFFAOYSA-N -1 3 333.350 3.623 20 0 EHADHM CCCn1ccnc1CCCN(C)Cc1cccc(C(=O)[O-])c1Cl ZINC001596118070 983451078 /nfs/dbraw/zinc/45/10/78/983451078.db2.gz IFRGKHDTFREQGW-UHFFFAOYSA-N -1 3 349.862 3.709 20 0 EHADHM CCN(Cc1[nH]cc(C(=O)[O-])c1C1CC1)Cc1ccc(OC)cc1 ZINC001596362469 983839556 /nfs/dbraw/zinc/83/95/56/983839556.db2.gz DXCVRLRKCCAEAK-UHFFFAOYSA-N -1 3 328.412 3.621 20 0 EHADHM C[C@H]1CN(Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)[C@H]1C ZINC001594547817 986233559 /nfs/dbraw/zinc/23/35/59/986233559.db2.gz OVISMVGJZNKUTL-GJZGRUSLSA-N -1 3 325.408 3.804 20 0 EHADHM Cc1ccc(C(=O)N2CCC(c3ccc4cccnc4n3)CC2)c([O-])c1 ZINC000655266918 1015289276 /nfs/dbraw/zinc/28/92/76/1015289276.db2.gz JSCXEFMLVAWNIN-UHFFFAOYSA-N -1 3 347.418 3.664 20 0 EHADHM CCS[C@@H]1CCC[C@H]1N[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001597258375 987267539 /nfs/dbraw/zinc/26/75/39/987267539.db2.gz 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CC[C@H]1CCCN(Cc2nc3cc(C(=O)[O-])ccc3n2CC)CC1 ZINC000581889617 1022142705 /nfs/dbraw/zinc/14/27/05/1022142705.db2.gz FDUNIYBGKGTPOI-AWEZNQCLSA-N -1 3 329.444 3.767 20 0 EHADHM CO[C@@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC[C@@H]1C ZINC000187696865 1022217609 /nfs/dbraw/zinc/21/76/09/1022217609.db2.gz FRZDSBKZJJPCKC-IFXJQAMLSA-N -1 3 341.407 3.682 20 0 EHADHM CCc1ccc([O-])c(C(=O)Nc2cc(NC(=O)N(C)C)ccc2C)c1 ZINC000437915559 1022265452 /nfs/dbraw/zinc/26/54/52/1022265452.db2.gz CAAGVBKOJOVWFR-UHFFFAOYSA-N -1 3 341.411 3.609 20 0 EHADHM O=S(=O)([N-]C1(Cc2ccc(F)cc2)CC1)c1ccc(Cl)s1 ZINC001211858812 1022314250 /nfs/dbraw/zinc/31/42/50/1022314250.db2.gz HBIMPRHEWNIRSU-UHFFFAOYSA-N -1 3 345.848 3.594 20 0 EHADHM Cc1ccc(C(=O)NCc2cc(F)ccc2Br)c([O-])c1 ZINC000048737386 1022389090 /nfs/dbraw/zinc/38/90/90/1022389090.db2.gz FJIXWZCJCAVDRI-UHFFFAOYSA-N -1 3 338.176 3.532 20 0 EHADHM O=S(=O)([N-]CCc1ccccc1Cl)c1ccc(Cl)s1 ZINC000049393589 1022513453 /nfs/dbraw/zinc/51/34/53/1022513453.db2.gz 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EHADHM CCCCOc1ccc(CN[C@H](C(=O)[O-])c2cccc(F)c2)cc1 ZINC000426790063 1023049484 /nfs/dbraw/zinc/04/94/84/1023049484.db2.gz ABUHQHATMUKKPQ-SFHVURJKSA-N -1 3 331.387 3.920 20 0 EHADHM COc1cc(CN[C@H](C(=O)[O-])c2cccc(F)c2)ccc1OC(C)C ZINC000426803041 1023058404 /nfs/dbraw/zinc/05/84/04/1023058404.db2.gz ZVNWTPVYRHXCRS-SFHVURJKSA-N -1 3 347.386 3.537 20 0 EHADHM O=C([O-])[C@H](NCc1ccc(F)c(C(F)(F)F)c1)c1ccsc1 ZINC000426830212 1023073120 /nfs/dbraw/zinc/07/31/20/1023073120.db2.gz WICLEYGLGZTGQE-GFCCVEGCSA-N -1 3 333.306 3.822 20 0 EHADHM O=c1nc(Cn2cnc3ccccc32)[n-]c2sc3ccccc3c21 ZINC000438873359 1023103522 /nfs/dbraw/zinc/10/35/22/1023103522.db2.gz ZCHQECVEVRFBJM-UHFFFAOYSA-N -1 3 332.388 3.948 20 0 EHADHM CCCc1cc(=O)[n-]c(C(=Cc2cnnn2Cc2ccccc2)CC)n1 ZINC000426897631 1023115767 /nfs/dbraw/zinc/11/57/67/1023115767.db2.gz HQFOKODXMVJTCZ-WJDWOHSUSA-N -1 3 349.438 3.725 20 0 EHADHM CC[C@H]1C[C@@]1(NC(=O)NCc1ccc([O-])c(F)c1)c1cccc(C)c1 ZINC000507203024 1023176586 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COc1ccc2oc(CN[C@@H](c3ccccc3)[C@H](C)C(=O)[O-])cc2c1 ZINC000277108266 1023768807 /nfs/dbraw/zinc/76/88/07/1023768807.db2.gz ADUVCTONLLYLDA-ORAYPTAESA-N -1 3 339.391 3.993 20 0 EHADHM C[C@]1(CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC1(F)F ZINC000657159088 1023819865 /nfs/dbraw/zinc/81/98/65/1023819865.db2.gz SSCJIHJHEMXWEZ-NSHDSACASA-N -1 3 344.210 3.707 20 0 EHADHM CC(C)c1ccc([C@@H](CC(=O)[O-])NCc2cnn(C(C)C)c2)cc1 ZINC000277157170 1023893269 /nfs/dbraw/zinc/89/32/69/1023893269.db2.gz CZCRHELBIMORMQ-GOSISDBHSA-N -1 3 329.444 3.893 20 0 EHADHM CC(C)CSCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000535900227 1024003909 /nfs/dbraw/zinc/00/39/09/1024003909.db2.gz LZXGVERPFPALLS-UHFFFAOYSA-N -1 3 342.313 3.661 20 0 EHADHM O=C([N-][C@@H](c1ccc(F)cc1F)C1CC1)C(F)(F)C1CCOCC1 ZINC001126566532 1024000129 /nfs/dbraw/zinc/00/01/29/1024000129.db2.gz RLQHGNVHPTWPNT-OAHLLOKOSA-N -1 3 345.336 3.594 20 0 EHADHM Cc1ccc(C(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)c([O-])c1 ZINC000094037838 1024165630 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/nfs/dbraw/zinc/20/47/05/1134204705.db2.gz NMHKKNYCSGWLPE-VIFPVBQESA-N -1 3 342.237 3.640 20 0 EHADHM Cc1cc(S(=O)(=O)[N-][C@H]2C[C@H]2Cc2ccccc2)sc1Cl ZINC001187071322 1134292495 /nfs/dbraw/zinc/29/24/95/1134292495.db2.gz DUBOODAUFRGXGM-OLZOCXBDSA-N -1 3 341.885 3.619 20 0 EHADHM CC[C@@H](NCc1cc(=O)oc2cc([O-])ccc12)c1ccccc1OC ZINC000775085021 1134296814 /nfs/dbraw/zinc/29/68/14/1134296814.db2.gz VVLKVUCABVYOJM-QGZVFWFLSA-N -1 3 339.391 3.748 20 0 EHADHM CCCc1cc(=O)[n-]c(C(=Cc2cn(-c3ccccc3)nn2)CC)n1 ZINC000789828705 1134337363 /nfs/dbraw/zinc/33/73/63/1134337363.db2.gz ARIFYSWLGRWXMJ-KAMYIIQDSA-N -1 3 335.411 3.666 20 0 EHADHM CC(C)[C@H]1C[C@@](NCc2ccc(Cl)nc2)(C(=O)[O-])c2ccccc21 ZINC000789903067 1134347710 /nfs/dbraw/zinc/34/77/10/1134347710.db2.gz FQHUDZOLBWKLEQ-BEFAXECRSA-N -1 3 344.842 3.948 20 0 EHADHM COC(=O)c1ccc([O-])cc1NC(=O)Nc1ccc(F)c(Cl)c1 ZINC001187705170 1134371682 /nfs/dbraw/zinc/37/16/82/1134371682.db2.gz WSQSLOUGCOECTE-UHFFFAOYSA-N -1 3 338.722 3.615 20 0 EHADHM COc1ccc(Cl)cc1NC(=O)[N-]c1cc(C(F)(F)F)no1 ZINC001187900701 1134394881 /nfs/dbraw/zinc/39/48/81/1134394881.db2.gz KVCLKYWUSRCJAH-UHFFFAOYSA-N -1 3 335.669 3.999 20 0 EHADHM CC(=O)c1cccc([O-])c1NC(=O)c1cc(-c2ccccc2C)[nH]n1 ZINC001187976419 1134406888 /nfs/dbraw/zinc/40/68/88/1134406888.db2.gz WJVSONYXMGTCPA-UHFFFAOYSA-N -1 3 335.363 3.546 20 0 EHADHM Cc1nnc(SCc2cc(=O)[n-]c(C3CC3)n2)n1C1CCCCC1 ZINC001188053609 1134414984 /nfs/dbraw/zinc/41/49/84/1134414984.db2.gz NNDBKPZGILKHAK-UHFFFAOYSA-N -1 3 345.472 3.757 20 0 EHADHM CCOC(=O)c1cc(C)sc1[N-]C(=O)c1nc(Cl)cs1 ZINC000790832806 1134472540 /nfs/dbraw/zinc/47/25/40/1134472540.db2.gz IUQRZOCBCYQVTE-UHFFFAOYSA-N -1 3 330.818 3.595 20 0 EHADHM Cc1cccc([O-])c1C(=O)Nc1cc(C(F)(F)F)c(F)cc1N ZINC001188648665 1134487390 /nfs/dbraw/zinc/48/73/90/1134487390.db2.gz KSSNCHYJYWOUIX-UHFFFAOYSA-N -1 3 328.265 3.693 20 0 EHADHM Cc1cccc([O-])c1C(=O)Nc1ccc(Br)c2c[nH]nc21 ZINC001188648738 1134487487 /nfs/dbraw/zinc/48/74/87/1134487487.db2.gz MMJHZARRZHSWIU-UHFFFAOYSA-N -1 3 346.184 3.592 20 0 EHADHM O=S(=O)(CCc1ccc(Cl)cc1)[N-]c1cc(F)ccc1F ZINC001189064635 1134539578 /nfs/dbraw/zinc/53/95/78/1134539578.db2.gz ZERCLKSUUCEGBJ-UHFFFAOYSA-N -1 3 331.771 3.603 20 0 EHADHM Cc1cc(C)c(NC(=O)c2cccc(OC(F)(F)F)c2[O-])cn1 ZINC001189749304 1134621202 /nfs/dbraw/zinc/62/12/02/1134621202.db2.gz PXDDVXQIRKIMTF-UHFFFAOYSA-N -1 3 326.274 3.555 20 0 EHADHM CC(C)CO[N-]C(=O)Cc1csc2ccc(Br)cc12 ZINC000792271699 1134676527 /nfs/dbraw/zinc/67/65/27/1134676527.db2.gz JVKQQBVPRXOTCI-UHFFFAOYSA-N -1 3 342.258 3.910 20 0 EHADHM O=C([N-]c1noc2cnccc12)c1csc(-c2cccs2)n1 ZINC001190565937 1134718814 /nfs/dbraw/zinc/71/88/14/1134718814.db2.gz PPXPCQGXHBMIQX-UHFFFAOYSA-N -1 3 328.378 3.660 20 0 EHADHM O=C(Nc1ccc(F)c([O-])c1)c1cc(OC(F)(F)F)ccc1F ZINC001190672320 1134738202 /nfs/dbraw/zinc/73/82/02/1134738202.db2.gz XAXKWISBHYWCMI-UHFFFAOYSA-N -1 3 333.212 3.821 20 0 EHADHM CC(=O)c1cccc([O-])c1NC(=O)c1nc(-c2ccccc2)cs1 ZINC001191047658 1134791620 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CC(C)(C)c1ccc(C(=O)NC(=N)c2ccc3ccccc3n2)c([O-])c1 ZINC001192336170 1135000657 /nfs/dbraw/zinc/00/06/57/1135000657.db2.gz SFHFUQGOSYUCHT-UHFFFAOYSA-N -1 3 347.418 3.993 20 0 EHADHM CC(C)(C)c1ccc(C(=O)NCc2cc(F)cnc2Cl)c([O-])c1 ZINC001192340717 1135001123 /nfs/dbraw/zinc/00/11/23/1135001123.db2.gz RZMKHKFCQGCSMQ-UHFFFAOYSA-N -1 3 336.794 3.807 20 0 EHADHM COc1ccc([C@@H]2C[C@H]2NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000794160172 1135022921 /nfs/dbraw/zinc/02/29/21/1135022921.db2.gz CSDWCWYOUMCNMH-RBUKOAKNSA-N -1 3 333.387 3.840 20 0 EHADHM O=C(c1cc2sccc2c([O-])c1)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000794246491 1135031767 /nfs/dbraw/zinc/03/17/67/1135031767.db2.gz LSJKBXKQJFNJCT-GFCCVEGCSA-N -1 3 347.827 3.544 20 0 EHADHM O=C(CCOc1ccccc1-c1ccccc1)[N-]OC/C=C/Cl ZINC000794293922 1135037401 /nfs/dbraw/zinc/03/74/01/1135037401.db2.gz RVXHXJNQFQMLEM-WUXMJOGZSA-N -1 3 331.799 3.923 20 0 EHADHM COc1cc(C(=O)Nc2cc([O-])cc(Cl)c2)c(F)c(F)c1F ZINC001193055554 1135099431 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Cc1nocc1[N-]C(=O)c1sc(COc2ccc(F)cc2)nc1C ZINC001130356783 1135323579 /nfs/dbraw/zinc/32/35/79/1135323579.db2.gz CJNXANZWIWDVSM-UHFFFAOYSA-N -1 3 347.371 3.718 20 0 EHADHM O=S(=O)(N[C@@H](c1ccccc1)C1CCCC1)c1ccc([O-])cc1 ZINC001195824940 1135477034 /nfs/dbraw/zinc/47/70/34/1135477034.db2.gz FSQFMTASRHDSTF-SFHVURJKSA-N -1 3 331.437 3.602 20 0 EHADHM CC[C@H](c1nnc([N-]C(=O)c2cccnc2F)s1)c1ccccc1 ZINC000806811184 1135493109 /nfs/dbraw/zinc/49/31/09/1135493109.db2.gz MAAWUFQPSFNUJE-LBPRGKRZSA-N -1 3 342.399 3.866 20 0 EHADHM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1nnc2ccccc2c1[O-] ZINC000807885101 1135582897 /nfs/dbraw/zinc/58/28/97/1135582897.db2.gz DIPMBNJHUGLMJC-OLZOCXBDSA-N -1 3 327.428 3.622 20 0 EHADHM COc1ccc(F)c(S(=O)(=O)[N-][C@H](C)c2ccccc2Cl)c1 ZINC001196779958 1135615079 /nfs/dbraw/zinc/61/50/79/1135615079.db2.gz JGMPCIAWUZHCCI-SNVBAGLBSA-N -1 3 343.807 3.527 20 0 EHADHM Cc1noc(C(C)C)c1C(=O)[N-]c1nc(F)c(F)c(Cl)c1F ZINC001197350703 1135676343 /nfs/dbraw/zinc/67/63/43/1135676343.db2.gz 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Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(F)cc3)nc(=O)c2c1C ZINC000004830234 1135892933 /nfs/dbraw/zinc/89/29/33/1135892933.db2.gz WYROWFURXNJOOG-VIFPVBQESA-N -1 3 346.383 3.659 20 0 EHADHM Cc1cc(C(=O)Nc2cc([O-])cc(Cl)c2)nn1-c1cccc(F)c1 ZINC001199347764 1135896885 /nfs/dbraw/zinc/89/68/85/1135896885.db2.gz MVZXTBKEYOBCSJ-UHFFFAOYSA-N -1 3 345.761 3.931 20 0 EHADHM O=C(OC[C@H]1CCCN1CC(F)F)c1cc2cc(Cl)sc2[n-]1 ZINC000810694304 1135997506 /nfs/dbraw/zinc/99/75/06/1135997506.db2.gz MCNIRSUEQKFWMZ-SECBINFHSA-N -1 3 348.802 3.769 20 0 EHADHM COC(=O)c1occc1COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811394045 1136081428 /nfs/dbraw/zinc/08/14/28/1136081428.db2.gz JCGYAENGUVUAJV-UHFFFAOYSA-N -1 3 339.756 3.619 20 0 EHADHM CC(C)N(C(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1)C(C)C ZINC000811394689 1136081817 /nfs/dbraw/zinc/08/18/17/1136081817.db2.gz XUCSTYHRSZBSHB-UHFFFAOYSA-N -1 3 342.848 3.685 20 0 EHADHM O=C(COC(=O)c1cc2cc(Cl)sc2[n-]1)[C@H]1Cc2ccccc21 ZINC000811393774 1136081986 /nfs/dbraw/zinc/08/19/86/1136081986.db2.gz 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ZINC000184859943 1140123286 /nfs/dbraw/zinc/12/32/86/1140123286.db2.gz ULBBLDZSJXTEDA-UHFFFAOYSA-N -1 3 345.399 3.655 20 0 EHADHM CC(C)Oc1ccc(NC([O-])=NO[C@@H]2CCCCO2)c(Cl)c1 ZINC000187222235 1140245008 /nfs/dbraw/zinc/24/50/08/1140245008.db2.gz FCEPUHLXROSHSB-CQSZACIVSA-N -1 3 328.796 3.707 20 0 EHADHM CC(C)Oc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)c(Cl)c1 ZINC000187222235 1140245011 /nfs/dbraw/zinc/24/50/11/1140245011.db2.gz FCEPUHLXROSHSB-CQSZACIVSA-N -1 3 328.796 3.707 20 0 EHADHM CCOc1ccc([C@@H](C)N[C@@H](C)c2nc(C)cc(=O)[n-]2)cc1OCC ZINC000192720933 1140546892 /nfs/dbraw/zinc/54/68/92/1140546892.db2.gz CWKDBFQPHCKPFV-KGLIPLIRSA-N -1 3 345.443 3.700 20 0 EHADHM Cc1csc([C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C2CC2)n1 ZINC000266212685 1140656547 /nfs/dbraw/zinc/65/65/47/1140656547.db2.gz PIVBHSBOOHDOOF-INIZCTEOSA-N -1 3 339.420 3.586 20 0 EHADHM O=C(CCc1ncc(-c2ccccc2Cl)o1)[N-]OC1CCCC1 ZINC000271647691 1141411584 /nfs/dbraw/zinc/41/15/84/1141411584.db2.gz DQCHCESEEMTUHW-UHFFFAOYSA-N -1 3 334.803 3.918 20 0 EHADHM O=C(NCc1ncccc1[O-])Nc1ccc(Cl)cc1-n1cccc1 ZINC000348782702 1141579378 /nfs/dbraw/zinc/57/93/78/1141579378.db2.gz SCBKOLOBLWARKW-UHFFFAOYSA-N -1 3 342.786 3.553 20 0 EHADHM CC(C)Sc1ccc(Cl)cc1[N-]C(=O)c1cnc2n[nH]nc2c1 ZINC000348852087 1141596940 /nfs/dbraw/zinc/59/69/40/1141596940.db2.gz JXMAFOPDWDISPW-UHFFFAOYSA-N -1 3 347.831 3.759 20 0 EHADHM O=S(=O)([N-][C@H]1CCc2cc(F)ccc21)c1ccc(Cl)s1 ZINC000049336510 202620451 /nfs/dbraw/zinc/62/04/51/202620451.db2.gz JMYSMQMKNRFRTF-NSHDSACASA-N -1 3 331.821 3.506 20 0 EHADHM CC(C)CCc1nnc([N-]C(=O)c2cccc(OC(C)C)n2)s1 ZINC000617095216 480093672 /nfs/dbraw/zinc/09/36/72/480093672.db2.gz FZUXDWSANYCMRV-UHFFFAOYSA-N -1 3 334.445 3.561 20 0 EHADHM Cc1cccc(CS(=O)(=O)c2nnc([N-]c3ccccc3)s2)c1 ZINC000518683956 478183883 /nfs/dbraw/zinc/18/38/83/478183883.db2.gz JWRFYENFZDRRSQ-UHFFFAOYSA-N -1 3 345.449 3.564 20 0 EHADHM Cc1nnc([N-]C(=O)c2sc(-c3ccc(F)cc3)nc2C)s1 ZINC000017345715 526368570 /nfs/dbraw/zinc/36/85/70/526368570.db2.gz ADYOYMSNAPVMLO-UHFFFAOYSA-N -1 3 334.401 3.670 20 0 EHADHM CCCC[C@H](CC)Cn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000736439617 598825599 /nfs/dbraw/zinc/82/55/99/598825599.db2.gz XNXXXRDQIIZXPW-AWEZNQCLSA-N -1 3 339.447 3.650 20 0 EHADHM CCCC[C@H](CC)Cn1c(C)nnc1-c1cccc(-c2nn[n-]n2)c1 ZINC000736439617 598825600 /nfs/dbraw/zinc/82/56/00/598825600.db2.gz XNXXXRDQIIZXPW-AWEZNQCLSA-N -1 3 339.447 3.650 20 0 EHADHM Clc1ccc(-c2nnn[n-]2)c(N2CCc3c(Cl)cccc3C2)c1 ZINC000737570621 598854915 /nfs/dbraw/zinc/85/49/15/598854915.db2.gz IQHTWBHBDWJWEV-UHFFFAOYSA-N -1 3 346.221 3.736 20 0 EHADHM Clc1ccc(-c2nn[n-]n2)c(N2CCc3c(Cl)cccc3C2)c1 ZINC000737570621 598854916 /nfs/dbraw/zinc/85/49/16/598854916.db2.gz IQHTWBHBDWJWEV-UHFFFAOYSA-N -1 3 346.221 3.736 20 0 EHADHM CSc1nc(-c2ccc(C)o2)cc(C(F)(F)F)c1-c1nnn[n-]1 ZINC000737189889 598861028 /nfs/dbraw/zinc/86/10/28/598861028.db2.gz DLCZOAZZPBRRIF-UHFFFAOYSA-N -1 3 341.318 3.571 20 0 EHADHM Fc1cc(-c2nnn[n-]2)cc(F)c1NCc1coc2ccccc12 ZINC000737638908 598916266 /nfs/dbraw/zinc/91/62/66/598916266.db2.gz KDAPCYKXHRHRMQ-UHFFFAOYSA-N -1 3 327.294 3.503 20 0 EHADHM Fc1cc(-c2nn[n-]n2)cc(F)c1NCc1coc2ccccc12 ZINC000737638908 598916268 /nfs/dbraw/zinc/91/62/68/598916268.db2.gz KDAPCYKXHRHRMQ-UHFFFAOYSA-N -1 3 327.294 3.503 20 0 EHADHM CC[C@@H](CC1CCCC1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000736349416 598922790 /nfs/dbraw/zinc/92/27/90/598922790.db2.gz GSNSIHPDGFNMEQ-ZDUSSCGKSA-N -1 3 346.406 3.656 20 0 EHADHM CC[C@@H](CC1CCCC1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000736349416 598922792 /nfs/dbraw/zinc/92/27/92/598922792.db2.gz GSNSIHPDGFNMEQ-ZDUSSCGKSA-N -1 3 346.406 3.656 20 0 EHADHM C[C@H](Nc1ccccc1OCC1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736139242 599008906 /nfs/dbraw/zinc/00/89/06/599008906.db2.gz USPGNNDBHAPVQQ-ZDUSSCGKSA-N -1 3 335.411 3.829 20 0 EHADHM C[C@H](Nc1ccccc1OCC1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736139242 599008908 /nfs/dbraw/zinc/00/89/08/599008908.db2.gz USPGNNDBHAPVQQ-ZDUSSCGKSA-N -1 3 335.411 3.829 20 0 EHADHM C[C@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CC[C@H]1c1ccccc1 ZINC000820775390 599050751 /nfs/dbraw/zinc/05/07/51/599050751.db2.gz HVRCWBIROPOJDQ-DZGCQCFKSA-N -1 3 337.402 3.636 20 0 EHADHM C[C@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CC[C@H]1c1ccccc1 ZINC000820775390 599050754 /nfs/dbraw/zinc/05/07/54/599050754.db2.gz HVRCWBIROPOJDQ-DZGCQCFKSA-N -1 3 337.402 3.636 20 0 EHADHM C[C@H]1C[C@@H](c2ccccc2)CN1c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736238355 599060137 /nfs/dbraw/zinc/06/01/37/599060137.db2.gz YVEWVJIFHKMEAU-GXTWGEPZSA-N -1 3 339.830 3.903 20 0 EHADHM C[C@H]1C[C@@H](c2ccccc2)CN1c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736238355 599060140 /nfs/dbraw/zinc/06/01/40/599060140.db2.gz YVEWVJIFHKMEAU-GXTWGEPZSA-N -1 3 339.830 3.903 20 0 EHADHM CC(C)CN(C(=O)[C@H]1CCC[C@H](C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735819494 599069550 /nfs/dbraw/zinc/06/95/50/599069550.db2.gz WRIRFYXNZGZCNO-HOCLYGCPSA-N -1 3 341.459 3.682 20 0 EHADHM CC(C)CN(C(=O)[C@H]1CCC[C@H](C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735819494 599069551 /nfs/dbraw/zinc/06/95/51/599069551.db2.gz WRIRFYXNZGZCNO-HOCLYGCPSA-N -1 3 341.459 3.682 20 0 EHADHM Clc1ccc2c(c1Cl)OC[C@@H]2Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822581168 599075388 /nfs/dbraw/zinc/07/53/88/599075388.db2.gz CNSJQPPTGYHIEW-LBPRGKRZSA-N -1 3 348.193 3.719 20 0 EHADHM C[C@H]1C[C@H](c2ccccc2F)N(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000820667441 599077782 /nfs/dbraw/zinc/07/77/82/599077782.db2.gz MHBGHULRRMFCAA-MEDUHNTESA-N -1 3 341.365 3.732 20 0 EHADHM C[C@H]1C[C@H](c2ccccc2F)N(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000820667441 599077785 /nfs/dbraw/zinc/07/77/85/599077785.db2.gz MHBGHULRRMFCAA-MEDUHNTESA-N -1 3 341.365 3.732 20 0 EHADHM O=C(CC1CCC1)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822940765 599135693 /nfs/dbraw/zinc/13/56/93/599135693.db2.gz DJAMPMOERBETOU-UHFFFAOYSA-N -1 3 334.379 3.629 20 0 EHADHM O=C(CC1CCC1)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822940765 599135696 /nfs/dbraw/zinc/13/56/96/599135696.db2.gz DJAMPMOERBETOU-UHFFFAOYSA-N -1 3 334.379 3.629 20 0 EHADHM CCCn1c2ccc(C)cc2nc1-c1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000821142130 599155379 /nfs/dbraw/zinc/15/53/79/599155379.db2.gz FBXDRMMBIHFTRI-UHFFFAOYSA-N -1 3 348.410 3.610 20 0 EHADHM CCCn1c2ccc(C)cc2nc1-c1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000821142130 599155383 /nfs/dbraw/zinc/15/53/83/599155383.db2.gz FBXDRMMBIHFTRI-UHFFFAOYSA-N -1 3 348.410 3.610 20 0 EHADHM CCCCCC[C@H](C)C(=O)Oc1ccc(-c2nnn[n-]2)cc1OCC ZINC000736447834 599179466 /nfs/dbraw/zinc/17/94/66/599179466.db2.gz UVCZFGYBOROSQX-ZDUSSCGKSA-N -1 3 346.431 3.777 20 0 EHADHM CCCCCC[C@H](C)C(=O)Oc1ccc(-c2nn[n-]n2)cc1OCC ZINC000736447834 599179468 /nfs/dbraw/zinc/17/94/68/599179468.db2.gz UVCZFGYBOROSQX-ZDUSSCGKSA-N -1 3 346.431 3.777 20 0 EHADHM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c(Cl)cc1F ZINC000822177012 607295971 /nfs/dbraw/zinc/29/59/71/607295971.db2.gz RFMUAKAZCXKJJW-UHFFFAOYSA-N -1 3 345.765 3.528 20 0 EHADHM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c(Cl)cc1F ZINC000822177012 607295972 /nfs/dbraw/zinc/29/59/72/607295972.db2.gz RFMUAKAZCXKJJW-UHFFFAOYSA-N -1 3 345.765 3.528 20 0 EHADHM Cc1c(NC(=O)c2sccc2C(C)C)cccc1-c1nnn[n-]1 ZINC000822116098 607297494 /nfs/dbraw/zinc/29/74/94/607297494.db2.gz NCMSRTDUASWCFP-UHFFFAOYSA-N -1 3 327.413 3.612 20 0 EHADHM Cc1c(NC(=O)c2sccc2C(C)C)cccc1-c1nn[n-]n1 ZINC000822116098 607297495 /nfs/dbraw/zinc/29/74/95/607297495.db2.gz NCMSRTDUASWCFP-UHFFFAOYSA-N -1 3 327.413 3.612 20 0 EHADHM CSc1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000821984800 607316081 /nfs/dbraw/zinc/31/60/81/607316081.db2.gz UAEJYGZZEZCDBF-UHFFFAOYSA-N -1 3 331.832 3.854 20 0 EHADHM CSc1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000821984800 607316082 /nfs/dbraw/zinc/31/60/82/607316082.db2.gz UAEJYGZZEZCDBF-UHFFFAOYSA-N -1 3 331.832 3.854 20 0 EHADHM Fc1ccc(CSCc2cc(-c3nnn[n-]3)ccc2F)cc1F ZINC000737651626 598314189 /nfs/dbraw/zinc/31/41/89/598314189.db2.gz YGDNKKLMRBKQSH-UHFFFAOYSA-N -1 3 336.342 3.717 20 0 EHADHM Fc1ccc(CSCc2cc(-c3nn[n-]n3)ccc2F)cc1F ZINC000737651626 598314191 /nfs/dbraw/zinc/31/41/91/598314191.db2.gz YGDNKKLMRBKQSH-UHFFFAOYSA-N -1 3 336.342 3.717 20 0 EHADHM Cc1cccc(N(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000737396309 598328651 /nfs/dbraw/zinc/32/86/51/598328651.db2.gz GVABCLHSBRWOGX-VAWYXSNFSA-N -1 3 347.422 3.630 20 0 EHADHM Cc1cccc(N(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000737396309 598328653 /nfs/dbraw/zinc/32/86/53/598328653.db2.gz GVABCLHSBRWOGX-VAWYXSNFSA-N -1 3 347.422 3.630 20 0 EHADHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1Cl ZINC000737194353 598331855 /nfs/dbraw/zinc/33/18/55/598331855.db2.gz JDNUUCBOGHBLFJ-SECBINFHSA-N -1 3 346.749 3.577 20 0 EHADHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1Cl ZINC000737194353 598331856 /nfs/dbraw/zinc/33/18/56/598331856.db2.gz JDNUUCBOGHBLFJ-SECBINFHSA-N -1 3 346.749 3.577 20 0 EHADHM C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cc2ccccc2s1 ZINC000736124513 598422272 /nfs/dbraw/zinc/42/22/72/598422272.db2.gz UAYNWFCJVZOWGD-NSHDSACASA-N -1 3 349.419 3.572 20 0 EHADHM C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cc2ccccc2s1 ZINC000736124513 598422274 /nfs/dbraw/zinc/42/22/74/598422274.db2.gz UAYNWFCJVZOWGD-NSHDSACASA-N -1 3 349.419 3.572 20 0 EHADHM Fc1cccc(N2CCC[C@@H](c3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000737659918 598459280 /nfs/dbraw/zinc/45/92/80/598459280.db2.gz FQKCTMPBDJCPOM-OAHLLOKOSA-N -1 3 337.402 3.780 20 0 EHADHM Fc1cccc(N2CCC[C@@H](c3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000737659918 598459281 /nfs/dbraw/zinc/45/92/81/598459281.db2.gz FQKCTMPBDJCPOM-OAHLLOKOSA-N -1 3 337.402 3.780 20 0 EHADHM CC(=CC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735449406 598482240 /nfs/dbraw/zinc/48/22/40/598482240.db2.gz XFARJTFAEGRITE-YPDDLIOESA-N -1 3 334.379 3.574 20 0 EHADHM CC(=CC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735449406 598482242 /nfs/dbraw/zinc/48/22/42/598482242.db2.gz XFARJTFAEGRITE-YPDDLIOESA-N -1 3 334.379 3.574 20 0 EHADHM Cc1cc(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)c(C)s1 ZINC000737227409 598496957 /nfs/dbraw/zinc/49/69/57/598496957.db2.gz 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/nfs/dbraw/zinc/66/69/96/598666996.db2.gz NLTAISSMMPSVMY-KCXRBIIJSA-N -1 3 329.835 3.535 20 0 EHADHM Clc1cc(N2CC3C[C@@H]4CC2C[C@H](C3)C4)ccc1-c1nn[n-]n1 ZINC000737565624 598666998 /nfs/dbraw/zinc/66/69/98/598666998.db2.gz NLTAISSMMPSVMY-KCXRBIIJSA-N -1 3 329.835 3.535 20 0 EHADHM Cc1ccoc1C(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737441387 598786075 /nfs/dbraw/zinc/78/60/75/598786075.db2.gz FKMCZXBTQCSFJJ-UHFFFAOYSA-N -1 3 346.346 3.654 20 0 EHADHM Cc1ccoc1C(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737441387 598786077 /nfs/dbraw/zinc/78/60/77/598786077.db2.gz FKMCZXBTQCSFJJ-UHFFFAOYSA-N -1 3 346.346 3.654 20 0 EHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@H](CC)C(C)C ZINC000736481219 598817085 /nfs/dbraw/zinc/81/70/85/598817085.db2.gz XLYCMYIJUHMDQX-INIZCTEOSA-N -1 3 343.475 3.678 20 0 EHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@H](CC)C(C)C ZINC000736481219 598817086 /nfs/dbraw/zinc/81/70/86/598817086.db2.gz XLYCMYIJUHMDQX-INIZCTEOSA-N -1 3 343.475 3.678 20 0 EHADHM 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/nfs/dbraw/zinc/02/76/11/606027611.db2.gz XLPZRKFMQBGYRO-HNNXBMFYSA-N -1 3 348.435 3.818 20 0 EHADHM c1c2ccccc2[nH]c1CNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000823802476 606065326 /nfs/dbraw/zinc/06/53/26/606065326.db2.gz PYYDPCLKIXJSTL-UHFFFAOYSA-N -1 3 341.378 3.508 20 0 EHADHM c1c2ccccc2[nH]c1CNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000823802476 606065330 /nfs/dbraw/zinc/06/53/30/606065330.db2.gz PYYDPCLKIXJSTL-UHFFFAOYSA-N -1 3 341.378 3.508 20 0 EHADHM CCC(CC)N(C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC000820893587 606151201 /nfs/dbraw/zinc/15/12/01/606151201.db2.gz RYKSXICFWSZPMS-UHFFFAOYSA-N -1 3 348.838 3.705 20 0 EHADHM CCC(CC)N(C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC000820893587 606151202 /nfs/dbraw/zinc/15/12/02/606151202.db2.gz RYKSXICFWSZPMS-UHFFFAOYSA-N -1 3 348.838 3.705 20 0 EHADHM ClC(=Cc1cc(-c2nnn[n-]2)cs1)c1nc2ccccc2o1 ZINC000822563424 606303974 /nfs/dbraw/zinc/30/39/74/606303974.db2.gz IMXTYZYUFMYSIF-POHAHGRESA-N -1 3 329.772 3.806 20 0 EHADHM ClC(=Cc1cc(-c2nn[n-]n2)cs1)c1nc2ccccc2o1 ZINC000822563424 606303977 /nfs/dbraw/zinc/30/39/77/606303977.db2.gz IMXTYZYUFMYSIF-POHAHGRESA-N -1 3 329.772 3.806 20 0 EHADHM FC(F)Oc1ccc(CSc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822732594 606326357 /nfs/dbraw/zinc/32/63/57/606326357.db2.gz LOGOYKXXJHJBNT-UHFFFAOYSA-N -1 3 334.351 3.760 20 0 EHADHM FC(F)Oc1ccc(CSc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822732594 606326359 /nfs/dbraw/zinc/32/63/59/606326359.db2.gz LOGOYKXXJHJBNT-UHFFFAOYSA-N -1 3 334.351 3.760 20 0 EHADHM Cc1cc(C(=O)CSc2cccc(-c3nnn[n-]3)c2)c(C)s1 ZINC000822167360 606328904 /nfs/dbraw/zinc/32/89/04/606328904.db2.gz CVZQJQCHURZCTL-UHFFFAOYSA-N -1 3 330.438 3.520 20 0 EHADHM Cc1cc(C(=O)CSc2cccc(-c3nn[n-]n3)c2)c(C)s1 ZINC000822167360 606328906 /nfs/dbraw/zinc/32/89/06/606328906.db2.gz CVZQJQCHURZCTL-UHFFFAOYSA-N -1 3 330.438 3.520 20 0 EHADHM C[C@H](OC(=O)c1ccc(C(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512672 606347504 /nfs/dbraw/zinc/34/75/04/606347504.db2.gz MWNJBDHXLFWVHE-JTQLQIEISA-N -1 3 344.321 3.722 20 0 EHADHM C[C@H](OC(=O)c1ccc(C(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512672 606347506 /nfs/dbraw/zinc/34/75/06/606347506.db2.gz MWNJBDHXLFWVHE-JTQLQIEISA-N -1 3 344.321 3.722 20 0 EHADHM CC(=CC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819766392 606359090 /nfs/dbraw/zinc/35/90/90/606359090.db2.gz YHJVLSWFRBQZDD-DINCDJDBSA-N -1 3 334.379 3.574 20 0 EHADHM CC(=CC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819766392 606359092 /nfs/dbraw/zinc/35/90/92/606359092.db2.gz YHJVLSWFRBQZDD-DINCDJDBSA-N -1 3 334.379 3.574 20 0 EHADHM CC(=O)c1ccc2cc(OCc3ccccc3-c3nnn[n-]3)ccc2c1 ZINC000819835246 606366737 /nfs/dbraw/zinc/36/67/37/606366737.db2.gz UJRSPDRASWVPAL-UHFFFAOYSA-N -1 3 344.374 3.802 20 0 EHADHM CC(=O)c1ccc2cc(OCc3ccccc3-c3nn[n-]n3)ccc2c1 ZINC000819835246 606366739 /nfs/dbraw/zinc/36/67/39/606366739.db2.gz UJRSPDRASWVPAL-UHFFFAOYSA-N -1 3 344.374 3.802 20 0 EHADHM CC(=O)c1ccc2cc(OCc3ccc(-c4nnn[n-]4)cc3)ccc2c1 ZINC000819833683 606366883 /nfs/dbraw/zinc/36/68/83/606366883.db2.gz KAAQJKGDAXBWMO-UHFFFAOYSA-N -1 3 344.374 3.802 20 0 EHADHM CC(=O)c1ccc2cc(OCc3ccc(-c4nn[n-]n4)cc3)ccc2c1 ZINC000819833683 606366885 /nfs/dbraw/zinc/36/68/85/606366885.db2.gz KAAQJKGDAXBWMO-UHFFFAOYSA-N -1 3 344.374 3.802 20 0 EHADHM Cc1ccc([C@H]2[C@@H](C)CCCN2c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000822231816 606475462 /nfs/dbraw/zinc/47/54/62/606475462.db2.gz IKSYWEXZMWZNFP-KBXCAEBGSA-N -1 3 334.427 3.548 20 0 EHADHM Cc1ccc([C@H]2[C@@H](C)CCCN2c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000822231816 606475464 /nfs/dbraw/zinc/47/54/64/606475464.db2.gz IKSYWEXZMWZNFP-KBXCAEBGSA-N -1 3 334.427 3.548 20 0 EHADHM Fc1cccc(NC[C@@H]2CCC[C@H](C(F)(F)F)C2)c1-c1nnn[n-]1 ZINC000822792176 606595803 /nfs/dbraw/zinc/59/58/03/606595803.db2.gz QDSIUEAXAOXDTA-ZJUUUORDSA-N -1 3 343.328 3.786 20 0 EHADHM Fc1cccc(NC[C@@H]2CCC[C@H](C(F)(F)F)C2)c1-c1nn[n-]n1 ZINC000822792176 606595804 /nfs/dbraw/zinc/59/58/04/606595804.db2.gz QDSIUEAXAOXDTA-ZJUUUORDSA-N -1 3 343.328 3.786 20 0 EHADHM CC(C)Sc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000820183467 606708238 /nfs/dbraw/zinc/70/82/38/606708238.db2.gz DHLMDINUAITOTQ-UHFFFAOYSA-N -1 3 325.441 3.979 20 0 EHADHM CC(C)Sc1ccccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000820183467 606708240 /nfs/dbraw/zinc/70/82/40/606708240.db2.gz DHLMDINUAITOTQ-UHFFFAOYSA-N -1 3 325.441 3.979 20 0 EHADHM CSCc1cc(F)ccc1CNc1ccc(-c2nn[n-]n2)cc1F ZINC000821970973 606725159 /nfs/dbraw/zinc/72/51/59/606725159.db2.gz UYIZVKRYAYPKMT-UHFFFAOYSA-N -1 3 347.394 3.620 20 0 EHADHM C[C@@H](NC(=O)c1ccc2sccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820398032 606734454 /nfs/dbraw/zinc/73/44/54/606734454.db2.gz ZUUJXKZHPBLNDY-LLVKDONJSA-N -1 3 349.419 3.572 20 0 EHADHM C[C@@H](NC(=O)c1ccc2sccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820398032 606734455 /nfs/dbraw/zinc/73/44/55/606734455.db2.gz ZUUJXKZHPBLNDY-LLVKDONJSA-N -1 3 349.419 3.572 20 0 EHADHM c1ccc2c(c1)oc1c2ncnc1Sc1cccc(-c2nnn[n-]2)c1 ZINC000823761980 606945861 /nfs/dbraw/zinc/94/58/61/606945861.db2.gz CPTAELUOSUFQLO-UHFFFAOYSA-N -1 3 346.375 3.707 20 0 EHADHM c1ccc2c(c1)oc1c2ncnc1Sc1cccc(-c2nn[n-]n2)c1 ZINC000823761980 606945863 /nfs/dbraw/zinc/94/58/63/606945863.db2.gz CPTAELUOSUFQLO-UHFFFAOYSA-N -1 3 346.375 3.707 20 0 EHADHM CC(C)(C)[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccc(F)cc1F ZINC000819899334 606951646 /nfs/dbraw/zinc/95/16/46/606951646.db2.gz RZEGYJZJWSKFFF-HNNXBMFYSA-N -1 3 347.369 3.615 20 0 EHADHM CC(C)(C)[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccc(F)cc1F ZINC000819899334 606951647 /nfs/dbraw/zinc/95/16/47/606951647.db2.gz RZEGYJZJWSKFFF-HNNXBMFYSA-N -1 3 347.369 3.615 20 0 EHADHM CC(C)(C)c1ccc(C(=O)Nc2sccc2-c2nnn[n-]2)s1 ZINC000819959044 606956700 /nfs/dbraw/zinc/95/67/00/606956700.db2.gz WDOSRTYMFRZZSZ-UHFFFAOYSA-N -1 3 333.442 3.540 20 0 EHADHM CC(C)(C)c1ccc(C(=O)Nc2sccc2-c2nn[n-]n2)s1 ZINC000819959044 606956702 /nfs/dbraw/zinc/95/67/02/606956702.db2.gz WDOSRTYMFRZZSZ-UHFFFAOYSA-N -1 3 333.442 3.540 20 0 EHADHM C[C@H](c1ccccc1Cl)N(C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820570692 606963724 /nfs/dbraw/zinc/96/37/24/606963724.db2.gz PEMXDVGALSNHLK-LLVKDONJSA-N -1 3 345.809 3.852 20 0 EHADHM CC[C@]1(C)CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820950467 607203357 /nfs/dbraw/zinc/20/33/57/607203357.db2.gz NSUNHFBIGTWNIW-MRXNPFEDSA-N -1 3 348.838 3.564 20 0 EHADHM CC[C@]1(C)CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820950467 607203358 /nfs/dbraw/zinc/20/33/58/607203358.db2.gz NSUNHFBIGTWNIW-MRXNPFEDSA-N -1 3 348.838 3.564 20 0 EHADHM CC[C@H](C)c1ccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1 ZINC000825073719 607788837 /nfs/dbraw/zinc/78/88/37/607788837.db2.gz AYQANYKGXIFPCW-ZDUSSCGKSA-N -1 3 335.411 3.657 20 0 EHADHM CC[C@H](C)c1ccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1 ZINC000825073719 607788838 /nfs/dbraw/zinc/78/88/38/607788838.db2.gz AYQANYKGXIFPCW-ZDUSSCGKSA-N -1 3 335.411 3.657 20 0 EHADHM CCN(C(=O)CCCC1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825372019 607796469 /nfs/dbraw/zinc/79/64/69/607796469.db2.gz QABFAWWXVQRXSA-UHFFFAOYSA-N -1 3 327.432 3.580 20 0 EHADHM CCN(C(=O)CCCC1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825372019 607796470 /nfs/dbraw/zinc/79/64/70/607796470.db2.gz QABFAWWXVQRXSA-UHFFFAOYSA-N -1 3 327.432 3.580 20 0 EHADHM CCN(C(=O)C/C=C/c1ccc(C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825372126 607796541 /nfs/dbraw/zinc/79/65/41/607796541.db2.gz QXADBFZODADAFR-SNAWJCMRSA-N -1 3 347.422 3.632 20 0 EHADHM CCN(C(=O)C/C=C/c1ccc(C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825372126 607796542 /nfs/dbraw/zinc/79/65/42/607796542.db2.gz QXADBFZODADAFR-SNAWJCMRSA-N -1 3 347.422 3.632 20 0 EHADHM CC(C)OC(=O)O[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824309365 607843694 /nfs/dbraw/zinc/84/36/94/607843694.db2.gz LCTSRKKFDFMSCP-QMMMGPOBSA-N -1 3 342.808 3.520 20 0 EHADHM CC(C)OC(=O)O[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824309365 607843695 /nfs/dbraw/zinc/84/36/95/607843695.db2.gz LCTSRKKFDFMSCP-QMMMGPOBSA-N -1 3 342.808 3.520 20 0 EHADHM Brc1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000823832317 607916300 /nfs/dbraw/zinc/91/63/00/607916300.db2.gz LXQFVMWSIIVSNJ-UHFFFAOYSA-N -1 3 347.241 3.922 20 0 EHADHM Brc1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000823832317 607916301 /nfs/dbraw/zinc/91/63/01/607916301.db2.gz LXQFVMWSIIVSNJ-UHFFFAOYSA-N -1 3 347.241 3.922 20 0 EHADHM Cc1ncc(-c2ccccc2)cc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000826329490 608028412 /nfs/dbraw/zinc/02/84/12/608028412.db2.gz FYWFPRJXQXOPNH-UHFFFAOYSA-N -1 3 342.406 3.849 20 0 EHADHM Cc1ncc(-c2ccccc2)cc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000826329490 608028413 /nfs/dbraw/zinc/02/84/13/608028413.db2.gz FYWFPRJXQXOPNH-UHFFFAOYSA-N -1 3 342.406 3.849 20 0 EHADHM c1ccc2sc(CN(c3ccc(-c4nn[n-]n4)cc3)C3CC3)nc2c1 ZINC000826524484 608079748 /nfs/dbraw/zinc/07/97/48/608079748.db2.gz XAFWTPRQMDVEFN-UHFFFAOYSA-N -1 3 348.435 3.645 20 0 EHADHM C[C@H](Cc1ccsc1)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000824466849 608223309 /nfs/dbraw/zinc/22/33/09/608223309.db2.gz ZPTXLSWJHSEURM-LLVKDONJSA-N -1 3 336.424 3.520 20 0 EHADHM C[C@H](Cc1ccsc1)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000824466849 608223310 /nfs/dbraw/zinc/22/33/10/608223310.db2.gz ZPTXLSWJHSEURM-LLVKDONJSA-N -1 3 336.424 3.520 20 0 EHADHM Fc1cccc2c1CC[C@H]2Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826377810 608223892 /nfs/dbraw/zinc/22/38/92/608223892.db2.gz GUAVXFQEYGTRMO-QGZVFWFLSA-N -1 3 346.369 3.653 20 0 EHADHM Fc1cccc2c1CC[C@H]2Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826377810 608223893 /nfs/dbraw/zinc/22/38/93/608223893.db2.gz GUAVXFQEYGTRMO-QGZVFWFLSA-N -1 3 346.369 3.653 20 0 EHADHM CCOc1ccc(SCc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000825643921 608262606 /nfs/dbraw/zinc/26/26/06/608262606.db2.gz WLQGCGWPEVGHAQ-UHFFFAOYSA-N -1 3 342.424 3.566 20 0 EHADHM CCOc1ccc(SCc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000825643921 608262608 /nfs/dbraw/zinc/26/26/08/608262608.db2.gz WLQGCGWPEVGHAQ-UHFFFAOYSA-N -1 3 342.424 3.566 20 0 EHADHM Cc1c(NC(=O)Nc2ccc(C3CC3)cc2)cccc1-c1nnn[n-]1 ZINC000826241790 608270157 /nfs/dbraw/zinc/27/01/57/608270157.db2.gz OTEBLBQNZNCDGI-UHFFFAOYSA-N -1 3 334.383 3.697 20 0 EHADHM Cc1c(NC(=O)Nc2ccc(C3CC3)cc2)cccc1-c1nn[n-]n1 ZINC000826241790 608270159 /nfs/dbraw/zinc/27/01/59/608270159.db2.gz OTEBLBQNZNCDGI-UHFFFAOYSA-N -1 3 334.383 3.697 20 0 EHADHM COc1cc(Cl)c(C)cc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000826179978 608479427 /nfs/dbraw/zinc/47/94/27/608479427.db2.gz NLYXYJUUPLLXEN-UHFFFAOYSA-N -1 3 347.781 3.588 20 0 EHADHM COc1cc(Cl)c(C)cc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000826179978 608479429 /nfs/dbraw/zinc/47/94/29/608479429.db2.gz NLYXYJUUPLLXEN-UHFFFAOYSA-N -1 3 347.781 3.588 20 0 EHADHM CC[C@@H](OC(=O)c1sccc1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000825153736 608498326 /nfs/dbraw/zinc/49/83/26/608498326.db2.gz IYDUASUJZHEBRJ-CYBMUJFWSA-N -1 3 328.397 3.545 20 0 EHADHM Clc1ccc2c(c1Cl)CC[C@H]2Nc1cnccc1-c1nnn[n-]1 ZINC000826352657 608784546 /nfs/dbraw/zinc/78/45/46/608784546.db2.gz JJLRWWQYWBOSJV-GFCCVEGCSA-N -1 3 347.209 3.668 20 0 EHADHM Clc1ccc2c(c1Cl)CC[C@H]2Nc1cnccc1-c1nn[n-]n1 ZINC000826352657 608784548 /nfs/dbraw/zinc/78/45/48/608784548.db2.gz JJLRWWQYWBOSJV-GFCCVEGCSA-N -1 3 347.209 3.668 20 0 EHADHM CC[C@H](C)n1nc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000825081043 609254911 /nfs/dbraw/zinc/25/49/11/609254911.db2.gz DUCKPLQZUKQUKX-AAEUAGOBSA-N -1 3 325.420 3.516 20 0 EHADHM CC[C@H](C)n1nc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000825081043 609254913 /nfs/dbraw/zinc/25/49/13/609254913.db2.gz DUCKPLQZUKQUKX-AAEUAGOBSA-N -1 3 325.420 3.516 20 0 EHADHM CCCOc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000825341418 609346367 /nfs/dbraw/zinc/34/63/67/609346367.db2.gz CRRIMSHKMLMPPZ-LBPRGKRZSA-N -1 3 341.390 3.968 20 0 EHADHM CCCOc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000825341418 609346368 /nfs/dbraw/zinc/34/63/68/609346368.db2.gz CRRIMSHKMLMPPZ-LBPRGKRZSA-N -1 3 341.390 3.968 20 0 EHADHM CC(C)Oc1cc(F)ccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000824319363 609439418 /nfs/dbraw/zinc/43/94/18/609439418.db2.gz NKAXVJMZUNCAFD-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM CC(C)Oc1cc(F)ccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000824319363 609439420 /nfs/dbraw/zinc/43/94/20/609439420.db2.gz NKAXVJMZUNCAFD-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM CCCCOCCSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825290678 609452456 /nfs/dbraw/zinc/45/24/56/609452456.db2.gz DXUMUQMEGMYMAY-UHFFFAOYSA-N -1 3 346.378 3.794 20 0 EHADHM CCCCOCCSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825290678 609452459 /nfs/dbraw/zinc/45/24/59/609452459.db2.gz DXUMUQMEGMYMAY-UHFFFAOYSA-N -1 3 346.378 3.794 20 0 EHADHM COc1ccc(-c2nnn[n-]2)cc1NCc1c(C)oc2ccccc21 ZINC000826186491 609483677 /nfs/dbraw/zinc/48/36/77/609483677.db2.gz VRJYVEZSKRRJND-UHFFFAOYSA-N -1 3 335.367 3.542 20 0 EHADHM COc1ccc(-c2nn[n-]n2)cc1NCc1c(C)oc2ccccc21 ZINC000826186491 609483679 /nfs/dbraw/zinc/48/36/79/609483679.db2.gz VRJYVEZSKRRJND-UHFFFAOYSA-N -1 3 335.367 3.542 20 0 EHADHM CC[C@@H](C)CCCCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825059575 609499279 /nfs/dbraw/zinc/49/92/79/609499279.db2.gz HEKRHLZIEHQGRG-GFCCVEGCSA-N -1 3 333.411 3.575 20 0 EHADHM CC[C@@H](C)CCCCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825059575 609499280 /nfs/dbraw/zinc/49/92/80/609499280.db2.gz HEKRHLZIEHQGRG-GFCCVEGCSA-N -1 3 333.411 3.575 20 0 EHADHM Cc1c(Cl)cnc(N2CCC[C@@H]2c2ccsc2)c1-c1nnn[n-]1 ZINC000826238142 609534488 /nfs/dbraw/zinc/53/44/88/609534488.db2.gz XLXDQMUHZBKDCN-GFCCVEGCSA-N -1 3 346.847 3.627 20 0 EHADHM Cc1c(Cl)cnc(N2CCC[C@@H]2c2ccsc2)c1-c1nn[n-]n1 ZINC000826238142 609534489 /nfs/dbraw/zinc/53/44/89/609534489.db2.gz XLXDQMUHZBKDCN-GFCCVEGCSA-N -1 3 346.847 3.627 20 0 EHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1C[C@H]1C1CCCCC1 ZINC000738143397 945250620 /nfs/dbraw/zinc/25/06/20/945250620.db2.gz ARWDMVZAMMMMJR-KBPBESRZSA-N -1 3 345.834 3.675 20 0 EHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1C[C@H]1C1CCCCC1 ZINC000738143397 945250625 /nfs/dbraw/zinc/25/06/25/945250625.db2.gz ARWDMVZAMMMMJR-KBPBESRZSA-N -1 3 345.834 3.675 20 0 EHADHM CC(C)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000467943237 944634564 /nfs/dbraw/zinc/63/45/64/944634564.db2.gz NPIHESLXEICBES-UHFFFAOYSA-N -1 3 341.802 3.896 20 0 EHADHM CC(C)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000467943237 944634569 /nfs/dbraw/zinc/63/45/69/944634569.db2.gz NPIHESLXEICBES-UHFFFAOYSA-N -1 3 341.802 3.896 20 0 EHADHM Brc1ccc(-c2nnn[n-]2)c(N2C3CCCC2CCC3)c1 ZINC001573280676 946665853 /nfs/dbraw/zinc/66/58/53/946665853.db2.gz WDHYVKIUGGWYIQ-UHFFFAOYSA-N -1 3 348.248 3.541 20 0 EHADHM Brc1ccc(-c2nn[n-]n2)c(N2C3CCCC2CCC3)c1 ZINC001573280676 946665857 /nfs/dbraw/zinc/66/58/57/946665857.db2.gz WDHYVKIUGGWYIQ-UHFFFAOYSA-N -1 3 348.248 3.541 20 0 EHADHM CC(C)c1cccc2c1N(Cc1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC001574419926 948790689 /nfs/dbraw/zinc/79/06/89/948790689.db2.gz LJDYGKDEXTYNHU-UHFFFAOYSA-N -1 3 333.439 3.943 20 0 EHADHM CC(C)c1cccc2c1N(Cc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC001574419926 948790701 /nfs/dbraw/zinc/79/07/01/948790701.db2.gz LJDYGKDEXTYNHU-UHFFFAOYSA-N -1 3 333.439 3.943 20 0 EHADHM Cc1cc(Br)c(CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)s1 ZINC000263116329 950273445 /nfs/dbraw/zinc/27/34/45/950273445.db2.gz ZTOUJLOWQIDIBQ-WPRPVWTQSA-N -1 3 332.263 3.504 20 0 EHADHM CC(C)(C)c1ccc(CNc2cc(F)cc(-c3nnn[n-]3)c2)cc1 ZINC001573882041 950762402 /nfs/dbraw/zinc/76/24/02/950762402.db2.gz PCMDCLOIMOCGGQ-UHFFFAOYSA-N -1 3 325.391 3.915 20 0 EHADHM CC(C)(C)c1ccc(CNc2cc(F)cc(-c3nn[n-]n3)c2)cc1 ZINC001573882041 950762419 /nfs/dbraw/zinc/76/24/19/950762419.db2.gz PCMDCLOIMOCGGQ-UHFFFAOYSA-N -1 3 325.391 3.915 20 0 EHADHM C[C@@H]1CCc2sc(NC(=O)C(C)(C)C)c(-c3nnn[n-]3)c2[C@H]1C ZINC001576219857 950813405 /nfs/dbraw/zinc/81/34/05/950813405.db2.gz VTPYGIONAQXYRE-BDAKNGLRSA-N -1 3 333.461 3.599 20 0 EHADHM C[C@@H]1CCc2sc(NC(=O)C(C)(C)C)c(-c3nn[n-]n3)c2[C@H]1C ZINC001576219857 950813427 /nfs/dbraw/zinc/81/34/27/950813427.db2.gz VTPYGIONAQXYRE-BDAKNGLRSA-N -1 3 333.461 3.599 20 0 EHADHM CC(C)Oc1cccc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)c1 ZINC000325733889 951090424 /nfs/dbraw/zinc/09/04/24/951090424.db2.gz FEENKERPYKMGTH-LJQANCHMSA-N -1 3 325.408 3.658 20 0 EHADHM C[C@H](CNc1cc(F)ccc1-c1nnn[n-]1)Oc1cccc(Cl)c1 ZINC001575124553 952031948 /nfs/dbraw/zinc/03/19/48/952031948.db2.gz UCXUUORNFYXUFM-SNVBAGLBSA-N -1 3 347.781 3.539 20 0 EHADHM C[C@H](CNc1cc(F)ccc1-c1nn[n-]n1)Oc1cccc(Cl)c1 ZINC001575124553 952031955 /nfs/dbraw/zinc/03/19/55/952031955.db2.gz UCXUUORNFYXUFM-SNVBAGLBSA-N -1 3 347.781 3.539 20 0 EHADHM [O-]c1cccc(CN[C@@H]2CCc3c2cccc3O)c1Br ZINC000459419820 1032065766 /nfs/dbraw/zinc/06/57/66/1032065766.db2.gz BMGIWVMGWOWZRK-CYBMUJFWSA-N -1 3 334.213 3.637 20 0 EHADHM O=C([O-])[C@@H]1CN(CCOc2ccc(F)c(Cl)c2)Cc2ccccc21 ZINC000903707220 956902428 /nfs/dbraw/zinc/90/24/28/956902428.db2.gz SWSSVQTYONUAQN-OAHLLOKOSA-N -1 3 349.789 3.542 20 0 EHADHM COc1cc(CN[C@@H](C(=O)[O-])c2cccc(C)c2)cc(Cl)c1OC ZINC000904263186 956951850 /nfs/dbraw/zinc/95/18/50/956951850.db2.gz SUAXEICRTPSVOT-MRXNPFEDSA-N -1 3 349.814 3.581 20 0 EHADHM Cc1nc2c(s1)[C@H](N(C)CCOc1ccccc1C(=O)[O-])CCC2 ZINC000183936222 959457460 /nfs/dbraw/zinc/45/74/60/959457460.db2.gz AAAYAXZIRADNGG-OAHLLOKOSA-N -1 3 346.452 3.538 20 0 EHADHM CN(Cc1ccc(C(=O)[O-])cc1)Cc1cccc(OC(F)(F)F)c1 ZINC000392573448 972498282 /nfs/dbraw/zinc/49/82/82/972498282.db2.gz DJGFOXCLULMKIZ-UHFFFAOYSA-N -1 3 339.313 3.915 20 0 EHADHM O=C([O-])COc1ccc(CN2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC001138924784 960492095 /nfs/dbraw/zinc/49/20/95/960492095.db2.gz ZGCLJXKYCABTRP-GOSISDBHSA-N -1 3 329.371 3.626 20 0 EHADHM COc1cc(CN[C@](C)(C(=O)[O-])c2ccccc2)ccc1SC ZINC001334011488 961741907 /nfs/dbraw/zinc/74/19/07/961741907.db2.gz XEZOVHDTTAKCDR-SFHVURJKSA-N -1 3 331.437 3.507 20 0 EHADHM CC(C)c1nc(CN[C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])cs1 ZINC001339153455 962016432 /nfs/dbraw/zinc/01/64/32/962016432.db2.gz ZAUGJKAYLOXDFT-CZUORRHYSA-N -1 3 332.469 3.688 20 0 EHADHM CC(C)CN1CCC[C@H]1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001520160496 962814790 /nfs/dbraw/zinc/81/47/90/962814790.db2.gz KEJNCWREVOTERT-AWEZNQCLSA-N -1 3 346.452 3.658 20 0 EHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)[C@H](C)c3ccccc3)nc2)n1 ZINC000080688187 1032073473 /nfs/dbraw/zinc/07/34/73/1032073473.db2.gz AHXPBZIVHYLROK-LSDHHAIUSA-N -1 3 348.450 3.998 20 0 EHADHM O=C([O-])[C@H]1CN(Cc2ccc(F)c3cccnc23)Cc2ccccc21 ZINC000327159142 968046780 /nfs/dbraw/zinc/04/67/80/968046780.db2.gz WZZDCWVIFXXROC-KRWDZBQOSA-N -1 3 336.366 3.558 20 0 EHADHM COc1ccc(-c2nc(CNC[C@H](CC(C)C)C(=O)[O-])cs2)cc1 ZINC000644182695 968557639 /nfs/dbraw/zinc/55/76/39/968557639.db2.gz VXJAECXQZSYXIO-AWEZNQCLSA-N -1 3 348.468 3.655 20 0 EHADHM C[C@]1(C(=O)[O-])CCCN(Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000320734773 970708321 /nfs/dbraw/zinc/70/83/21/970708321.db2.gz OFWJYZMIKRQWIB-KRWDZBQOSA-N -1 3 334.803 3.682 20 0 EHADHM CC[C@]1(C)CCN(Cc2ccc(C(=O)[O-])cc2Br)C1 ZINC000399294098 973210664 /nfs/dbraw/zinc/21/06/64/973210664.db2.gz JBWAFIXEFJGGKY-OAHLLOKOSA-N -1 3 326.234 3.769 20 0 EHADHM CCc1ccc(CCN(C)Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000274490683 1014129928 /nfs/dbraw/zinc/12/99/28/1014129928.db2.gz QZKOMRAHCQCQSM-UHFFFAOYSA-N -1 3 327.453 3.634 20 0 EHADHM CC(C)(C)OC(=O)c1cccc(CN[C@H](C(=O)[O-])c2ccsc2)c1 ZINC000417564731 973962133 /nfs/dbraw/zinc/96/21/33/973962133.db2.gz PAQIEPRUJJEHAV-HNNXBMFYSA-N -1 3 347.436 3.619 20 0 EHADHM CC(C)(C)OC(=O)c1cccc(CN[C@@H](C(=O)[O-])c2ccsc2)c1 ZINC000417564732 973962591 /nfs/dbraw/zinc/96/25/91/973962591.db2.gz PAQIEPRUJJEHAV-OAHLLOKOSA-N -1 3 347.436 3.619 20 0 EHADHM O=C([O-])Cc1ccccc1CNCc1ccc(F)c(C(F)(F)F)c1 ZINC000426710029 974046655 /nfs/dbraw/zinc/04/66/55/974046655.db2.gz UNSRIPNFPVECSI-UHFFFAOYSA-N -1 3 341.304 3.761 20 0 EHADHM CCOC[C@@H]1CCCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000521446884 974344463 /nfs/dbraw/zinc/34/44/63/974344463.db2.gz QPMLQZSQBZVPJZ-ABAIWWIYSA-N -1 3 346.254 3.868 20 0 EHADHM O=C([O-])c1cnc(CN(Cc2ccccc2)C2CCCCC2)cn1 ZINC000530162540 974358528 /nfs/dbraw/zinc/35/85/28/974358528.db2.gz PYLAJAIVCDWOHQ-UHFFFAOYSA-N -1 3 325.412 3.510 20 0 EHADHM O=C([O-])[C@]1(C(F)(F)F)CCN([C@@H]2CCc3c2cccc3Cl)C1 ZINC000563290786 974529572 /nfs/dbraw/zinc/52/95/72/974529572.db2.gz UGOAZTHUYSBJEK-OCCSQVGLSA-N -1 3 333.737 3.666 20 0 EHADHM CC(C)Oc1ccc(CN2CCC[C@@](C)(C(=O)[O-])C2)cc1Cl ZINC000565100928 974567528 /nfs/dbraw/zinc/56/75/28/974567528.db2.gz LDDKVQIGGZUKPT-QGZVFWFLSA-N -1 3 325.836 3.814 20 0 EHADHM C[C@@H](c1ncc(C(C)(C)C)o1)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000572490070 974748686 /nfs/dbraw/zinc/74/86/86/974748686.db2.gz PVZYJINOELYLII-NUEKZKHPSA-N -1 3 342.439 3.833 20 0 EHADHM CCc1oc(C(=O)[O-])cc1CN1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000629375424 975090494 /nfs/dbraw/zinc/09/04/94/975090494.db2.gz FHEHUHUKPIKJRS-CYBMUJFWSA-N -1 3 347.386 3.677 20 0 EHADHM O=C([O-])[C@@H]1CCN(Cc2ncc(-c3cccs3)o2)[C@H]2CCCC[C@@H]12 ZINC000656762878 975690184 /nfs/dbraw/zinc/69/01/84/975690184.db2.gz DBGBNQIUNRAZCT-MJBXVCDLSA-N -1 3 346.452 3.868 20 0 EHADHM O=C([O-])[C@@H]1CCN(Cc2coc(-c3cccs3)n2)[C@@H]2CCCC[C@@H]12 ZINC000656767846 975702002 /nfs/dbraw/zinc/70/20/02/975702002.db2.gz WEQBLKZLQXVKTB-RRFJBIMHSA-N -1 3 346.452 3.868 20 0 EHADHM Cc1noc(C[C@@H](NCc2cccc([O-])c2Cl)c2ccccc2)n1 ZINC000339372235 1014289117 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O=C([O-])c1cc(CN2CCC([C@H](O)c3ccc(F)cc3)CC2)cs1 ZINC000846247141 979423795 /nfs/dbraw/zinc/42/37/95/979423795.db2.gz VKCIZLQWWVDBAG-QGZVFWFLSA-N -1 3 349.427 3.531 20 0 EHADHM C/C(=C/CN1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)C(=O)[O-] ZINC000846257442 979429081 /nfs/dbraw/zinc/42/90/81/979429081.db2.gz QOARXCOXSAKRON-GXJZLWQJSA-N -1 3 344.238 3.868 20 0 EHADHM COc1ccc(C(=O)[O-])c2c1CN(CCc1ccc(Cl)cc1)CC2 ZINC000871621022 979960277 /nfs/dbraw/zinc/96/02/77/979960277.db2.gz RBVUFMADHFIIGN-UHFFFAOYSA-N -1 3 345.826 3.648 20 0 EHADHM CC[C@H](N[C@H](CCO)c1ccc(OC)cc1)c1ccc(C(=O)[O-])cc1 ZINC001595280931 980328217 /nfs/dbraw/zinc/32/82/17/980328217.db2.gz FIQBCDIKLGNHSZ-RBUKOAKNSA-N -1 3 343.423 3.558 20 0 EHADHM CC[C@H](N[C@H]1CCOc2cc(OC)ccc21)c1ccc(C(=O)[O-])cc1 ZINC001595284526 980358086 /nfs/dbraw/zinc/35/80/86/980358086.db2.gz XLSDFRSAOCULPB-ROUUACIJSA-N -1 3 341.407 3.958 20 0 EHADHM CC[C@](NCc1cccc(OC)c1Cl)(C(=O)[O-])c1ccccc1 ZINC001595304841 980440345 /nfs/dbraw/zinc/44/03/45/980440345.db2.gz 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Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000913358338 1040756281 /nfs/dbraw/zinc/75/62/81/1040756281.db2.gz ZWIYLFXAKKESJL-KGLIPLIRSA-N -1 3 347.422 3.795 20 0 EHADHM C[C@@H]1CN(c2ccc(NCc3c([O-])cccc3Cl)cc2)CCO1 ZINC000151332335 1040786906 /nfs/dbraw/zinc/78/69/06/1040786906.db2.gz NCZIWALJVGNHEZ-CYBMUJFWSA-N -1 3 332.831 3.883 20 0 EHADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@H]1CCc2ccccc21 ZINC000469018679 1040975289 /nfs/dbraw/zinc/97/52/89/1040975289.db2.gz QQIXREWZOJJXIP-MRXNPFEDSA-N -1 3 327.399 3.700 20 0 EHADHM CN(C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)C1CC(C)(C)C1 ZINC000909911577 1041063745 /nfs/dbraw/zinc/06/37/45/1041063745.db2.gz CWFGTWIJLQCQIV-UHFFFAOYSA-N -1 3 339.461 3.751 20 0 EHADHM Cc1noc(C)c1CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000157411836 1041085995 /nfs/dbraw/zinc/08/59/95/1041085995.db2.gz OYBWMYWRMZOZQY-UHFFFAOYSA-N -1 3 338.363 3.719 20 0 EHADHM CCc1cccc(C(=O)N2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1[O-] ZINC000614315455 1041126556 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COc1ccc([C@H](NCc2cccc(C(C)C)c2)C(=O)[O-])cc1F ZINC000663260269 1042607817 /nfs/dbraw/zinc/60/78/17/1042607817.db2.gz RELNACNJFYXOCW-SFHVURJKSA-N -1 3 331.387 3.873 20 0 EHADHM CCc1cc(=O)[n-]c(CN[C@H](C)c2cc(Cl)ccc2Cl)n1 ZINC000186184377 1042650984 /nfs/dbraw/zinc/65/09/84/1042650984.db2.gz JUJGWZHOBFZBRN-SECBINFHSA-N -1 3 326.227 3.902 20 0 EHADHM O=c1[n-]c(SC2CCC2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000644853432 1043002415 /nfs/dbraw/zinc/00/24/15/1043002415.db2.gz QTNIVCAIVMAWAA-UHFFFAOYSA-N -1 3 332.816 3.819 20 0 EHADHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000318062344 1043207471 /nfs/dbraw/zinc/20/74/71/1043207471.db2.gz ATYHWTQPPXKDPW-UHFFFAOYSA-N -1 3 336.844 3.723 20 0 EHADHM [O-]c1ccc(CNc2nc(C3CC3)ncc2Br)cc1F ZINC000663644357 1043235519 /nfs/dbraw/zinc/23/55/19/1043235519.db2.gz LWHUOHNHWBZTMN-UHFFFAOYSA-N -1 3 338.180 3.573 20 0 EHADHM C[C@H](c1ccc(C(C)(C)C)cc1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000344125966 1043301601 /nfs/dbraw/zinc/30/16/01/1043301601.db2.gz 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1126728992 /nfs/dbraw/zinc/72/89/92/1126728992.db2.gz HHKJSLYENSFSPE-VIFPVBQESA-N -1 3 327.211 3.953 20 0 EHADHM CCc1ccc([O-])c(C(=O)N2Cc3ccccc3OC(C)(C)C2)c1 ZINC000622604321 1126727951 /nfs/dbraw/zinc/72/79/51/1126727951.db2.gz ACIWWUXNFMJNDR-UHFFFAOYSA-N -1 3 325.408 3.768 20 0 EHADHM CCc1ccc([O-])c(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1 ZINC000623469422 1126962393 /nfs/dbraw/zinc/96/23/93/1126962393.db2.gz XYMCDPCVJTYIMZ-UHFFFAOYSA-N -1 3 326.396 3.801 20 0 EHADHM Cc1cccc([O-])c1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000623627693 1127001069 /nfs/dbraw/zinc/00/10/69/1127001069.db2.gz JWDPGMVGCDEMBQ-UHFFFAOYSA-N -1 3 335.407 3.597 20 0 EHADHM Cc1c(C(=O)Nc2cc(F)ccc2[O-])cnn1-c1ccccc1C ZINC000179647699 1127077616 /nfs/dbraw/zinc/07/76/16/1127077616.db2.gz FWHUFVXZWHLYEJ-UHFFFAOYSA-N -1 3 325.343 3.586 20 0 EHADHM Cc1ccc(-n2cc(C(=O)[N-]c3c(F)cc(Cl)cc3F)nn2)cc1 ZINC000180326890 1127144403 /nfs/dbraw/zinc/14/44/03/1127144403.db2.gz IRQOHSCYRBJXOB-UHFFFAOYSA-N -1 3 348.740 3.760 20 0 EHADHM CC(C)COc1ncc(C(=O)Nc2cccc([O-])c2F)cc1Cl ZINC000180761425 1127184735 /nfs/dbraw/zinc/18/47/35/1127184735.db2.gz WKXRLAWAMSAALV-UHFFFAOYSA-N -1 3 338.766 3.867 20 0 EHADHM Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[N-]c3cnoc3)cc12 ZINC000623943459 1127219479 /nfs/dbraw/zinc/21/94/79/1127219479.db2.gz VRTOTDBAVIMTBH-UHFFFAOYSA-N -1 3 342.355 3.775 20 0 EHADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000624033551 1127237985 /nfs/dbraw/zinc/23/79/85/1127237985.db2.gz KJCLHNXWBQIGGJ-AWEZNQCLSA-N -1 3 336.391 3.862 20 0 EHADHM CCc1cc(=O)[n-]c(CNC2(c3ccc(F)cc3F)CCCC2)n1 ZINC000181249732 1127271636 /nfs/dbraw/zinc/27/16/36/1127271636.db2.gz ZJIUSHAAGBDVAJ-UHFFFAOYSA-N -1 3 333.382 3.582 20 0 EHADHM CCc1cc(=O)[n-]c(CSCc2nc(Cl)ccc2Cl)n1 ZINC000764952147 1127556624 /nfs/dbraw/zinc/55/66/24/1127556624.db2.gz XVOZMHZGGYXLJA-UHFFFAOYSA-N -1 3 330.240 3.880 20 0 EHADHM COc1ccc(C)cc1CCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000471630744 1127659239 /nfs/dbraw/zinc/65/92/39/1127659239.db2.gz 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/nfs/dbraw/zinc/36/98/66/1128369866.db2.gz TYYGTGKCAUUNDX-UHFFFAOYSA-N -1 3 343.732 3.896 20 0 EHADHM Cc1cccc(CO[N-]C(=O)CCOc2ccc3ccccc3c2)n1 ZINC001168633481 1128514415 /nfs/dbraw/zinc/51/44/15/1128514415.db2.gz DNLYMHBFKYWJBJ-UHFFFAOYSA-N -1 3 336.391 3.560 20 0 EHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)c(C)c1O ZINC000055616250 1128525508 /nfs/dbraw/zinc/52/55/08/1128525508.db2.gz XAJRZVVKGMYVMZ-UHFFFAOYSA-N -1 3 349.452 3.845 20 0 EHADHM Cc1onc(OC(F)F)c1[N-]C(=O)c1cc(F)cc2cccnc21 ZINC001128098941 1128555425 /nfs/dbraw/zinc/55/54/25/1128555425.db2.gz QUVROIPZLHRTMP-UHFFFAOYSA-N -1 3 337.257 3.524 20 0 EHADHM Cc1ccc(C[C@H](C)NC(=O)NCc2ccc([O-])c(F)c2)c(C)c1 ZINC000303794446 1128697298 /nfs/dbraw/zinc/69/72/98/1128697298.db2.gz KJPSJWUGZOMGHA-AWEZNQCLSA-N -1 3 330.403 3.579 20 0 EHADHM CC(=O)N(C)c1ccccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000354446186 1128743269 /nfs/dbraw/zinc/74/32/69/1128743269.db2.gz FLOLKLYKUHUOBH-UHFFFAOYSA-N -1 3 334.375 3.780 20 0 EHADHM Cc1ccc(-c2nc([N-]C(=O)c3coc(C4CCCC4)n3)n[nH]2)cc1 ZINC000338719647 1128750799 /nfs/dbraw/zinc/75/07/99/1128750799.db2.gz IDINFXGAGMQBOF-UHFFFAOYSA-N -1 3 337.383 3.678 20 0 EHADHM Cc1cccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)c1 ZINC000172674835 1128785386 /nfs/dbraw/zinc/78/53/86/1128785386.db2.gz QGCSJSLIUIRINE-UHFFFAOYSA-N -1 3 334.416 3.535 20 0 EHADHM CO[C@@H](C)c1nc(CNC(=O)c2cc([O-])c3ccccc3c2)cs1 ZINC000354816911 1128813855 /nfs/dbraw/zinc/81/38/55/1128813855.db2.gz XNYMVGTYLOHKCU-NSHDSACASA-N -1 3 342.420 3.639 20 0 EHADHM Cc1cc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cnc1C ZINC000921885439 1128874801 /nfs/dbraw/zinc/87/48/01/1128874801.db2.gz PRGZGTHJLTWSIK-UHFFFAOYSA-N -1 3 348.428 3.754 20 0 EHADHM Cc1cc(NC(=O)C2CC2)sc1C(=O)Nc1cccc([O-])c1F ZINC000129264572 1120143584 /nfs/dbraw/zinc/14/35/84/1120143584.db2.gz KGCPCCBATOBPAN-UHFFFAOYSA-N -1 3 334.372 3.502 20 0 EHADHM C[C@H]1CC[C@H](C(=O)[O-])CN1CCOc1ccc(Cl)cc1Cl ZINC000397032428 1120313570 /nfs/dbraw/zinc/31/35/70/1120313570.db2.gz PCRQIRYXVANDLH-QWRGUYRKSA-N -1 3 332.227 3.557 20 0 EHADHM CCCCn1cc(CNC(=O)c2cc([O-])c3ccccc3c2)c(C)n1 ZINC000355507029 1128921791 /nfs/dbraw/zinc/92/17/91/1128921791.db2.gz IQYJBQCDZRTQBO-UHFFFAOYSA-N -1 3 337.423 3.780 20 0 EHADHM C[C@@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1(F)F ZINC000494269028 1120525025 /nfs/dbraw/zinc/52/50/25/1120525025.db2.gz UJBXWYUNVAHGIP-SNVBAGLBSA-N -1 3 333.338 3.559 20 0 EHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000494618616 1120692253 /nfs/dbraw/zinc/69/22/53/1120692253.db2.gz RWACDKFJXZYCCZ-UHFFFAOYSA-N -1 3 345.342 3.737 20 0 EHADHM O=C(Cc1cccc(OC(F)F)c1)Nc1ccc(Cl)cc1[O-] ZINC000153481500 1120803663 /nfs/dbraw/zinc/80/36/63/1120803663.db2.gz FPOJJWPNMDZQJG-UHFFFAOYSA-N -1 3 327.714 3.828 20 0 EHADHM C[C@@H]1CCCN(Cc2ccc(C(=O)[O-])cc2Br)CC1 ZINC000226730947 1120832333 /nfs/dbraw/zinc/83/23/33/1120832333.db2.gz UWOTVFSRWIVAMZ-LLVKDONJSA-N -1 3 326.234 3.769 20 0 EHADHM CC(C)CO[N-]C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC000153364989 1120989876 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Cc1nc2ccc(C(=O)Nc3cc(Cl)ccc3[O-])cc2nc1C ZINC000111210174 1121717158 /nfs/dbraw/zinc/71/71/58/1121717158.db2.gz NVLBDWNWEUMVFG-UHFFFAOYSA-N -1 3 327.771 3.858 20 0 EHADHM Cc1cc(=O)[n-]c(CSCc2ncc(-c3ccc(F)cc3)o2)n1 ZINC000763207593 1121876516 /nfs/dbraw/zinc/87/65/16/1121876516.db2.gz BPNSKWPUXQNMNV-UHFFFAOYSA-N -1 3 331.372 3.718 20 0 EHADHM O=S(=O)([N-]C[C@@H]1CCCCC1(F)F)c1cscc1C(F)F ZINC000915998422 1122016116 /nfs/dbraw/zinc/01/61/16/1122016116.db2.gz PSVQPAXQMPNTSK-QMMMGPOBSA-N -1 3 345.383 3.790 20 0 EHADHM C[C@@]1(CC[N-]S(=O)(=O)c2cscc2C(F)F)C[C@]1(F)Cl ZINC000916678978 1122254441 /nfs/dbraw/zinc/25/44/41/1122254441.db2.gz QKSYSOIPVOCTQT-GHMZBOCLSA-N -1 3 347.811 3.669 20 0 EHADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000077615987 1129048438 /nfs/dbraw/zinc/04/84/38/1129048438.db2.gz WWXFISHUKUNQFZ-WDEREUQCSA-N -1 3 337.753 3.744 20 0 EHADHM Cc1cc(=O)[n-]c(C=Cc2cnn(Cc3ccccc3Cl)c2)n1 ZINC000672776500 1129069925 /nfs/dbraw/zinc/06/99/25/1129069925.db2.gz 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1122876309 /nfs/dbraw/zinc/87/63/09/1122876309.db2.gz QURHGOZIROEUNF-UHFFFAOYSA-N -1 3 335.816 3.645 20 0 EHADHM COc1cc(C(=O)N[C@@H](C)[C@@H](C)C2CCCCC2)cc(OC)c1[O-] ZINC000131248209 1123064899 /nfs/dbraw/zinc/06/48/99/1123064899.db2.gz BXNRYPCPJOESGU-OLZOCXBDSA-N -1 3 335.444 3.744 20 0 EHADHM COc1cc(-c2nc(-c3ccc(F)c(C)c3)no2)cc(OC)c1[O-] ZINC000131933226 1123190418 /nfs/dbraw/zinc/19/04/18/1123190418.db2.gz CLPABRWMOMCTFV-UHFFFAOYSA-N -1 3 330.315 3.574 20 0 EHADHM O=C(Nc1cc(F)ccc1[O-])c1cccnc1SC(F)(F)F ZINC000174900895 1123363738 /nfs/dbraw/zinc/36/37/38/1123363738.db2.gz QXYYHNVWSZRLQP-UHFFFAOYSA-N -1 3 332.278 3.791 20 0 EHADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](c3ccccc3OC)C2)c1 ZINC000133285700 1123376958 /nfs/dbraw/zinc/37/69/58/1123376958.db2.gz MGDRQFQVLKFPJE-OAHLLOKOSA-N -1 3 325.408 3.593 20 0 EHADHM CCOC(=O)c1ccc(NC(=O)c2cccc(C)c2Cl)c([O-])c1 ZINC000133799136 1123438365 /nfs/dbraw/zinc/43/83/65/1123438365.db2.gz AVRYMQWAJQWZTR-UHFFFAOYSA-N -1 3 333.771 3.783 20 0 EHADHM CN(Cc1cccn1C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000134339669 1123517046 /nfs/dbraw/zinc/51/70/46/1123517046.db2.gz DEBVRMGOXPXGTR-UHFFFAOYSA-N -1 3 334.419 3.594 20 0 EHADHM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1Cl)c1cccnc1 ZINC000135827913 1123647991 /nfs/dbraw/zinc/64/79/91/1123647991.db2.gz BISHWOGGXDXGSH-UHFFFAOYSA-N -1 3 336.722 3.555 20 0 EHADHM CC(C)(Cc1cccc(Cl)c1)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000616824506 1124041330 /nfs/dbraw/zinc/04/13/30/1124041330.db2.gz HUSFMVLMQSDNRN-OAHLLOKOSA-N -1 3 347.846 3.544 20 0 EHADHM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1csc(Nc3ccccc3)n1)C2 ZINC000263573469 1124611337 /nfs/dbraw/zinc/61/13/37/1124611337.db2.gz MJVZOTRRKDKFDH-SCLBCKFNSA-N -1 3 343.452 3.573 20 0 EHADHM O=C(Nc1cc(Br)ccc1[O-])c1cccc2[nH]ccc21 ZINC000085586752 1124629723 /nfs/dbraw/zinc/62/97/23/1124629723.db2.gz PTMRILOZJXVVOQ-UHFFFAOYSA-N -1 3 331.169 3.888 20 0 EHADHM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1 ZINC000091016457 1124950221 /nfs/dbraw/zinc/95/02/21/1124950221.db2.gz 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CCC(CC)(CNC(=O)c1nnc2ccccc2c1[O-])c1ccccc1 ZINC000742852969 1131806152 /nfs/dbraw/zinc/80/61/52/1131806152.db2.gz QDNCJWXFPNAJQC-UHFFFAOYSA-N -1 3 349.434 3.823 20 0 EHADHM [O-]c1cncc(-c2nc(-c3cc(F)c(Cl)cc3Cl)no2)c1 ZINC001212708645 1131985226 /nfs/dbraw/zinc/98/52/26/1131985226.db2.gz NBSYTJCMIXQOIR-UHFFFAOYSA-N -1 3 326.114 3.950 20 0 EHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@@H](C)c3cccs3)c2)n1 ZINC000744216714 1132048913 /nfs/dbraw/zinc/04/89/13/1132048913.db2.gz DBJVCEKWRTUODI-LBPRGKRZSA-N -1 3 340.404 3.928 20 0 EHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)C[C@H](C)n3cccc3)c2)n1 ZINC000744219841 1132050059 /nfs/dbraw/zinc/05/00/59/1132050059.db2.gz XQKWEFLXKUSQIJ-AWEZNQCLSA-N -1 3 337.379 3.516 20 0 EHADHM COc1cc(Nc2nc3c(cccc3[O-])s2)cc(OC)c1OC ZINC001173903907 1132168487 /nfs/dbraw/zinc/16/84/87/1132168487.db2.gz CKYZPAAOHVFLNH-UHFFFAOYSA-N -1 3 332.381 3.771 20 0 EHADHM COC(=O)Nc1ccc(C(=O)OCc2ccc(SC)cc2)cc1[O-] ZINC000745652609 1132289401 /nfs/dbraw/zinc/28/94/01/1132289401.db2.gz 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COC(=O)c1ccc(C)c(-c2cccc(NCc3ncccc3[O-])n2)c1 ZINC001169737441 1132843930 /nfs/dbraw/zinc/84/39/30/1132843930.db2.gz OXXACUYBSCHTTL-UHFFFAOYSA-N -1 3 349.390 3.556 20 0 EHADHM COc1ccc([O-])c(C(=O)Nc2ccc(-c3nc(C)c(C)[nH]3)cc2)c1 ZINC001176210581 1132874723 /nfs/dbraw/zinc/87/47/23/1132874723.db2.gz ITVTVDSSBIPILG-UHFFFAOYSA-N -1 3 337.379 3.660 20 0 EHADHM CCOC(=O)c1ncc(NC(=O)c2cccc(-c3cccc(C)c3)c2)[n-]1 ZINC001169881197 1132878344 /nfs/dbraw/zinc/87/83/44/1132878344.db2.gz NMYMQWKCXQTPCQ-UHFFFAOYSA-N -1 3 349.390 3.814 20 0 EHADHM CCOC(=O)c1nc(NC(=O)c2cccc(-c3cccc(C)c3)c2)c[n-]1 ZINC001169881197 1132878353 /nfs/dbraw/zinc/87/83/53/1132878353.db2.gz NMYMQWKCXQTPCQ-UHFFFAOYSA-N -1 3 349.390 3.814 20 0 EHADHM [O-]c1cc(F)cnc1Nc1cccc2c1cnn2[C@H]1CCCCO1 ZINC001176314242 1132911993 /nfs/dbraw/zinc/91/19/93/1132911993.db2.gz KLPJZQGIKJKDGR-MRXNPFEDSA-N -1 3 328.347 3.719 20 0 EHADHM CCS[C@H](C)c1noc(COC(=O)c2cc3ccsc3[n-]2)n1 ZINC000767267744 1132977942 /nfs/dbraw/zinc/97/79/42/1132977942.db2.gz RQZLVIPVBHLGQT-MRVPVSSYSA-N -1 3 337.426 3.784 20 0 EHADHM COc1cc(S(=O)(=O)[N-]c2ccc(C)cc2Cl)cnc1Cl ZINC000767438782 1133002815 /nfs/dbraw/zinc/00/28/15/1133002815.db2.gz LTIZMCDSZZDLTA-UHFFFAOYSA-N -1 3 347.223 3.506 20 0 EHADHM Cc1nc(Br)ccc1NCc1c(F)ccc([O-])c1F ZINC000811835292 1133032245 /nfs/dbraw/zinc/03/22/45/1133032245.db2.gz RBMNAYNNHAKMJU-UHFFFAOYSA-N -1 3 329.144 3.748 20 0 EHADHM CC(=O)c1cccc([O-])c1NC(=O)Cc1ccc(-c2ccccn2)cc1 ZINC001177948313 1133120615 /nfs/dbraw/zinc/12/06/15/1133120615.db2.gz BKRHJNHRHSSGAG-UHFFFAOYSA-N -1 3 346.386 3.838 20 0 EHADHM CC(C)c1cccc(CC(=O)Nc2cc(Br)ccc2[O-])n1 ZINC001178448573 1133166028 /nfs/dbraw/zinc/16/60/28/1133166028.db2.gz GQSJSCQCTKVRGU-UHFFFAOYSA-N -1 3 349.228 3.854 20 0 EHADHM CC(=O)c1cccc([O-])c1NC(=O)C1CCC(C(F)(F)F)CC1 ZINC001179832813 1133287821 /nfs/dbraw/zinc/28/78/21/1133287821.db2.gz BFYAHRKEQBYXNO-UHFFFAOYSA-N -1 3 329.318 3.902 20 0 EHADHM CN(C(=O)c1cc2c(cc1[O-])OCO2)c1ccc(C(C)(C)C)cc1 ZINC000769717295 1133334425 /nfs/dbraw/zinc/33/44/25/1133334425.db2.gz UUFWJHXBLWCUCE-UHFFFAOYSA-N -1 3 327.380 3.695 20 0 EHADHM Cc1ccc(CSc2nc(NC(=O)[C@H]3CCCCS3)n[n-]2)cc1 ZINC001180844145 1133417990 /nfs/dbraw/zinc/41/79/90/1133417990.db2.gz SXIVDHZIHCDVGM-CYBMUJFWSA-N -1 3 348.497 3.630 20 0 EHADHM COc1ccc([C@@H](C)NC(=O)c2cc([O-])ccc2Cl)c(OC)c1 ZINC001180946727 1133434044 /nfs/dbraw/zinc/43/40/44/1133434044.db2.gz KTEATNLDUBSDSM-SNVBAGLBSA-N -1 3 335.787 3.554 20 0 EHADHM COc1ccc(CCCC(=O)Nc2c([O-])cccc2C(C)=O)cc1 ZINC001181216645 1133471249 /nfs/dbraw/zinc/47/12/49/1133471249.db2.gz XKDZPSPKAJPPBL-UHFFFAOYSA-N -1 3 327.380 3.565 20 0 EHADHM Cc1cccc2c(=O)c(C(=O)Nc3cccc(-n4cccc4)c3)c[n-]c12 ZINC001182303657 1133622973 /nfs/dbraw/zinc/62/29/73/1133622973.db2.gz ZPSRUPUJKAPIAQ-UHFFFAOYSA-N -1 3 343.386 3.880 20 0 EHADHM COc1cc(NCc2c(F)ccc([O-])c2F)c(Cl)c(OC)c1 ZINC001182307571 1133624865 /nfs/dbraw/zinc/62/48/65/1133624865.db2.gz DPWGHFABWBFEKK-UHFFFAOYSA-N -1 3 329.730 3.953 20 0 EHADHM CC(C)(Cc1ccccc1)C(=O)Nc1ncc([O-])cc1Br ZINC001182603920 1133709581 /nfs/dbraw/zinc/70/95/81/1133709581.db2.gz NKGRJHPWJCIZPF-UHFFFAOYSA-N -1 3 349.228 3.757 20 0 EHADHM COc1ccc(-c2nc(COC(=O)c3cc4occc4[n-]3)co2)cc1 ZINC000786029836 1133792857 /nfs/dbraw/zinc/79/28/57/1133792857.db2.gz PQIUESMWPYRHFG-UHFFFAOYSA-N -1 3 338.319 3.782 20 0 EHADHM O=C(OCc1nnc(-c2cccc(Cl)c2)o1)c1cc2occc2[n-]1 ZINC000786030680 1133793024 /nfs/dbraw/zinc/79/30/24/1133793024.db2.gz VUUDZEASVJYIOO-UHFFFAOYSA-N -1 3 343.726 3.821 20 0 EHADHM Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc3occc3[n-]2)c(Cl)c1 ZINC000786032608 1133793817 /nfs/dbraw/zinc/79/38/17/1133793817.db2.gz DODCLTKHEDRYMV-SNVBAGLBSA-N -1 3 346.770 3.907 20 0 EHADHM Cc1c([O-])ccc2c(CNc3ccn(-c4ccccc4)n3)cc(=O)oc12 ZINC000786144602 1133805877 /nfs/dbraw/zinc/80/58/77/1133805877.db2.gz BMBFEZNDGKHKQF-UHFFFAOYSA-N -1 3 347.374 3.605 20 0 EHADHM O=C([N-]Cc1ccc(Oc2ccccc2C(F)(F)F)nc1)C(F)F ZINC000787394999 1134003171 /nfs/dbraw/zinc/00/31/71/1134003171.db2.gz ISZQVFTWYDLNKW-UHFFFAOYSA-N -1 3 346.255 3.774 20 0 EHADHM O=S(=O)(Cc1cc(F)cc(F)c1)[N-]c1cc(Cl)ccc1F ZINC001185123174 1134039529 /nfs/dbraw/zinc/03/95/29/1134039529.db2.gz FBHJTTAXOHZPAV-UHFFFAOYSA-N -1 3 335.734 3.699 20 0 EHADHM C[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)c1ccc(F)cc1 ZINC000787842556 1134046986 /nfs/dbraw/zinc/04/69/86/1134046986.db2.gz GPSHSJMCXHILAP-LBPRGKRZSA-N -1 3 348.345 3.808 20 0 EHADHM O=C([N-]c1cc(C(F)(F)F)no1)Nc1ccc(F)c(F)c1F ZINC001185291463 1134064688 /nfs/dbraw/zinc/06/46/88/1134064688.db2.gz GYYCTFHLVBFGGE-UHFFFAOYSA-N -1 3 325.168 3.755 20 0 EHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)ccc1Cl ZINC001185521041 1134102435 /nfs/dbraw/zinc/10/24/35/1134102435.db2.gz LDVSWDBZFLFYEC-UHFFFAOYSA-N -1 3 347.827 3.635 20 0 EHADHM C[C@@H](COc1cccc(F)c1)NC(=O)c1cc2sccc2c([O-])c1 ZINC000788290317 1134109163 /nfs/dbraw/zinc/10/91/63/1134109163.db2.gz LNRJFBYVZJBDET-NSHDSACASA-N -1 3 345.395 3.943 20 0 EHADHM Cc1cc(S(=O)(=O)[N-]c2c(C)c(F)ccc2Cl)cnc1Cl ZINC000788558126 1134142525 /nfs/dbraw/zinc/14/25/25/1134142525.db2.gz AUTGVPATYJYODW-UHFFFAOYSA-N -1 3 349.214 3.945 20 0 EHADHM CC(=O)c1cccc([O-])c1NC(=O)c1ccc(OCC2CC2)cc1F ZINC001185860277 1134145241 /nfs/dbraw/zinc/14/52/41/1134145241.db2.gz FIUNLICMEITHDR-UHFFFAOYSA-N -1 3 343.354 3.775 20 0 EHADHM CCOC(=O)c1ccc(NC(=O)Nc2cc([O-])cc(Cl)c2)cc1 ZINC001187282166 1134319435 /nfs/dbraw/zinc/31/94/35/1134319435.db2.gz GNIQQFDTKXSIKU-UHFFFAOYSA-N -1 3 334.759 3.866 20 0 EHADHM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001187383068 1134328493 /nfs/dbraw/zinc/32/84/93/1134328493.db2.gz CBPFAHRNHAELNB-QWHCGFSZSA-N -1 3 338.498 3.913 20 0 EHADHM Cc1cc(S(=O)(=O)[N-]Cc2cccc(Cl)c2F)c(F)cc1F ZINC001187583650 1134349910 /nfs/dbraw/zinc/34/99/10/1134349910.db2.gz SWWXZXBOOWAHCE-UHFFFAOYSA-N -1 3 349.761 3.544 20 0 EHADHM CC(C)Oc1cc(Br)ccc1[N-]S(=O)(=O)C1CCC1 ZINC001188144166 1134434073 /nfs/dbraw/zinc/43/40/73/1134434073.db2.gz IRLYSZWMRMPOQA-UHFFFAOYSA-N -1 3 348.262 3.531 20 0 EHADHM CC(C)(C)c1ccc(CCCC(=O)[N-]OCc2cccnc2)cc1 ZINC000746945696 1134459733 /nfs/dbraw/zinc/45/97/33/1134459733.db2.gz GJHHCPXLIVWJPP-UHFFFAOYSA-N -1 3 326.440 3.950 20 0 EHADHM CCOC(=O)CCc1ccc(NC(=O)c2c(C)cccc2[O-])cc1F ZINC001188654859 1134487431 /nfs/dbraw/zinc/48/74/31/1134487431.db2.gz HUNQPOQUZAEBJT-UHFFFAOYSA-N -1 3 345.370 3.588 20 0 EHADHM CCC(C)(C)C[N-]S(=O)(=O)c1sc(Br)cc1C ZINC001189186434 1134550116 /nfs/dbraw/zinc/55/01/16/1134550116.db2.gz WRQCAVMMCOBTRY-UHFFFAOYSA-N -1 3 340.308 3.534 20 0 EHADHM [O-]c1ccccc1-c1nnc(CSCc2ccc3c(c2)OCO3)o1 ZINC001189190929 1134550270 /nfs/dbraw/zinc/55/02/70/1134550270.db2.gz OSOPUSSCBXKMEB-UHFFFAOYSA-N -1 3 342.376 3.604 20 0 EHADHM COc1cccc(Cl)c1[N-]S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189317920 1134570015 /nfs/dbraw/zinc/57/00/15/1134570015.db2.gz PHAYZHIMEOQVMK-UHFFFAOYSA-N -1 3 347.770 3.569 20 0 EHADHM CC(C)NC(=O)c1ccccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792056492 1134645713 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CCC[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cccnc1Cl ZINC001191339180 1134845309 /nfs/dbraw/zinc/84/53/09/1134845309.db2.gz AXVVDUJRSGEQNN-OLZOCXBDSA-N -1 3 330.881 3.620 20 0 EHADHM O=C(Nc1ccc2[nH][n-]c(=O)c2c1)c1ccc(Oc2ccccc2)nc1 ZINC001192082230 1134960412 /nfs/dbraw/zinc/96/04/12/1134960412.db2.gz QSXIJFKQCWFZAT-UHFFFAOYSA-N -1 3 346.346 3.708 20 0 EHADHM CC(C)(C)c1ccc(C(=O)N2CCO[C@H](c3ccccc3)C2)c([O-])c1 ZINC001192324076 1134999435 /nfs/dbraw/zinc/99/94/35/1134999435.db2.gz CLNUYAIVQBJVLX-IBGZPJMESA-N -1 3 339.435 3.903 20 0 EHADHM Cn1nc(CNC(=O)c2ccc(C(C)(C)C)cc2[O-])c2ccccc21 ZINC001192336507 1135000417 /nfs/dbraw/zinc/00/04/17/1135000417.db2.gz YYKKEMGKEHXGOM-UHFFFAOYSA-N -1 3 337.423 3.506 20 0 EHADHM COc1cccc(CC2(C(=O)[N-]OC/C=C\Cl)CCCCC2)c1 ZINC000794304848 1135038325 /nfs/dbraw/zinc/03/83/25/1135038325.db2.gz JKFDXDCYRKYRSV-WDZFZDKYSA-N -1 3 337.847 3.989 20 0 EHADHM O=S(=O)([N-][C@@H](c1ccccc1)C1CCC1)c1cnccc1Cl ZINC001192920925 1135070818 /nfs/dbraw/zinc/07/08/18/1135070818.db2.gz HLUNAEWAHZJSAK-INIZCTEOSA-N -1 3 336.844 3.555 20 0 EHADHM C[C@H]1C[C@H](NC(=O)c2ccc(Br)c(=O)[n-]2)c2ccccc21 ZINC001193162845 1135111297 /nfs/dbraw/zinc/11/12/97/1135111297.db2.gz MVFVPQHCYRHXQB-XPTSAGLGSA-N -1 3 347.212 3.528 20 0 EHADHM O=S(=O)(C[C@H]1CCCO1)[N-]c1ccc(C2CC2)c2ccccc12 ZINC001193260718 1135118847 /nfs/dbraw/zinc/11/88/47/1135118847.db2.gz FOMCQDRMXBGIKG-CQSZACIVSA-N -1 3 331.437 3.638 20 0 EHADHM O=C(Nc1cccc2nsnc21)c1ccc([O-])cc1C(F)(F)F ZINC001193733669 1135174165 /nfs/dbraw/zinc/17/41/65/1135174165.db2.gz LOWFGKYUAGXINV-UHFFFAOYSA-N -1 3 339.298 3.668 20 0 EHADHM O=C(NCc1ccc2c(c1)CCC2)c1ccc([O-])cc1C(F)(F)F ZINC001193734001 1135174237 /nfs/dbraw/zinc/17/42/37/1135174237.db2.gz ONZVNKQYHLJUEE-UHFFFAOYSA-N -1 3 335.325 3.830 20 0 EHADHM O=C(Nc1cccc2c(=O)[nH]ccc12)c1ccc([O-])cc1C(F)(F)F ZINC001193746672 1135181225 /nfs/dbraw/zinc/18/12/25/1135181225.db2.gz XEJGZZMCDZMOHS-UHFFFAOYSA-N -1 3 348.280 3.917 20 0 EHADHM CCN(C(=O)c1c(C)cc(O)cc1[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC001193910835 1135203368 /nfs/dbraw/zinc/20/33/68/1135203368.db2.gz DVULUTRRXHREOC-AWEZNQCLSA-N -1 3 343.423 3.508 20 0 EHADHM Cc1cc(O)cc([O-])c1C(=O)N[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1 ZINC001193946685 1135212221 /nfs/dbraw/zinc/21/22/21/1135212221.db2.gz XDZUKTMODMGZAN-KQEPKPNTSA-N -1 3 337.419 3.718 20 0 EHADHM COc1ccc(OC(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC001194532767 1135281816 /nfs/dbraw/zinc/28/18/16/1135281816.db2.gz CZYUPVQTAMVLDL-UHFFFAOYSA-N -1 3 338.157 3.774 20 0 EHADHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)C1 ZINC001194834167 1135328967 /nfs/dbraw/zinc/32/89/67/1135328967.db2.gz ZHGMOTLRLZDYHK-WPRPVWTQSA-N -1 3 341.782 3.826 20 0 EHADHM CC(=O)c1cccc([O-])c1NC(=O)c1nccc(Cl)c1Cl ZINC001195459248 1135426342 /nfs/dbraw/zinc/42/63/42/1135426342.db2.gz MMSDFYKTSUOLPC-UHFFFAOYSA-N -1 3 325.151 3.549 20 0 EHADHM Cc1c(COC(C)(C)C)cccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000775657284 1135428915 /nfs/dbraw/zinc/42/89/15/1135428915.db2.gz IOCWRGXYMBJUGQ-MRXNPFEDSA-N -1 3 336.432 3.890 20 0 EHADHM Cc1c(COC(C)(C)C)cccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000775657284 1135428917 /nfs/dbraw/zinc/42/89/17/1135428917.db2.gz IOCWRGXYMBJUGQ-MRXNPFEDSA-N -1 3 336.432 3.890 20 0 EHADHM CC[C@H](NCc1nnc(-c2ccccc2[O-])o1)c1ccccc1F ZINC001195757045 1135461237 /nfs/dbraw/zinc/46/12/37/1135461237.db2.gz KROBINJRVNAMRF-HNNXBMFYSA-N -1 3 327.359 3.822 20 0 EHADHM CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc([O-])cc1 ZINC001195773966 1135463781 /nfs/dbraw/zinc/46/37/81/1135463781.db2.gz CAGVYLWSYVQPPK-UHFFFAOYSA-N -1 3 346.235 3.520 20 0 EHADHM CC(C)(C)COc1ccc(NS(=O)(=O)c2ccc([O-])cc2)cc1 ZINC001195808556 1135473482 /nfs/dbraw/zinc/47/34/82/1135473482.db2.gz ZVTOGGHTHKHVAC-UHFFFAOYSA-N -1 3 335.425 3.618 20 0 EHADHM O=S(=O)(NC1(c2cccc(F)c2)CCCCC1)c1ccc([O-])cc1 ZINC001195828078 1135477515 /nfs/dbraw/zinc/47/75/15/1135477515.db2.gz DVYFPEHEZRJTDS-UHFFFAOYSA-N -1 3 349.427 3.669 20 0 EHADHM Cc1cc(C(=O)Nc2cc([O-])cc(Cl)c2)nn1Cc1ccccc1 ZINC001195885327 1135486018 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EHADHM Nc1ccc(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)c([O-])c1 ZINC000817952668 1136850928 /nfs/dbraw/zinc/85/09/28/1136850928.db2.gz HVWCCTJUDPZASA-UHFFFAOYSA-N -1 3 330.359 3.687 20 0 EHADHM CON(C(=O)c1ccc(C)c(C)c1[O-])[C@H]1CCCOc2ccccc21 ZINC000857471401 1136874990 /nfs/dbraw/zinc/87/49/90/1136874990.db2.gz XXZUQBJDZMYWJQ-KRWDZBQOSA-N -1 3 341.407 3.927 20 0 EHADHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)c1ccc(F)c(F)c1 ZINC000011809253 1136888325 /nfs/dbraw/zinc/88/83/25/1136888325.db2.gz FKLAGLCBYLMYDL-UHFFFAOYSA-N -1 3 334.105 3.639 20 0 EHADHM CC(=O)c1ccc(C(=O)NCc2cccc(Cl)c2Cl)cc1[O-] ZINC001136178775 1136896556 /nfs/dbraw/zinc/89/65/56/1136896556.db2.gz ITHFBEJOCUJFGN-UHFFFAOYSA-N -1 3 338.190 3.832 20 0 EHADHM Cc1ccn(-c2ccc(C(=O)Nc3ccc(Cl)cc3[O-])cc2)n1 ZINC000339006767 1136906197 /nfs/dbraw/zinc/90/61/97/1136906197.db2.gz BNWAQRPQRMPKEC-UHFFFAOYSA-N -1 3 327.771 3.792 20 0 EHADHM [O-]c1ccc(F)c(CN2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)c1F ZINC000858017703 1136932033 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CC[C@H](OC(=O)c1sccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000736382147 598843592 /nfs/dbraw/zinc/84/35/92/598843592.db2.gz LFRSXVFUVNEIIX-LBPRGKRZSA-N -1 3 348.815 3.890 20 0 EHADHM Clc1cccc2c1CCN(c1ccc(-c3nnn[n-]3)c(Cl)c1)C2 ZINC000737565697 598854835 /nfs/dbraw/zinc/85/48/35/598854835.db2.gz OQBDWFDHUHBHCE-UHFFFAOYSA-N -1 3 346.221 3.736 20 0 EHADHM Clc1cccc2c1CCN(c1ccc(-c3nn[n-]n3)c(Cl)c1)C2 ZINC000737565697 598854837 /nfs/dbraw/zinc/85/48/37/598854837.db2.gz OQBDWFDHUHBHCE-UHFFFAOYSA-N -1 3 346.221 3.736 20 0 EHADHM C[C@@H]1CCC[C@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)[C@@H]1C ZINC000736249797 599038135 /nfs/dbraw/zinc/03/81/35/599038135.db2.gz GDRNBVXZQOYJNJ-KKZNHRDASA-N -1 3 340.353 3.517 20 0 EHADHM C[C@@H]1CCC[C@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)[C@@H]1C ZINC000736249797 599038137 /nfs/dbraw/zinc/03/81/37/599038137.db2.gz GDRNBVXZQOYJNJ-KKZNHRDASA-N -1 3 340.353 3.517 20 0 EHADHM C[C@@H]1C[C@H](c2ccccc2)CN1c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736238361 599060691 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CCO[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C12CCCC2 ZINC000821360712 599100973 /nfs/dbraw/zinc/10/09/73/599100973.db2.gz SBNKBCQSJBOTLZ-GJZGRUSLSA-N -1 3 347.850 3.670 20 0 EHADHM CCO[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C12CCCC2 ZINC000821360712 599100975 /nfs/dbraw/zinc/10/09/75/599100975.db2.gz SBNKBCQSJBOTLZ-GJZGRUSLSA-N -1 3 347.850 3.670 20 0 EHADHM Clc1cccc(OCCSc2ccccc2-c2nnn[n-]2)c1 ZINC000737575274 599109780 /nfs/dbraw/zinc/10/97/80/599109780.db2.gz OVORLQJANAFLKG-UHFFFAOYSA-N -1 3 332.816 3.691 20 0 EHADHM Clc1cccc(OCCSc2ccccc2-c2nn[n-]n2)c1 ZINC000737575274 599109783 /nfs/dbraw/zinc/10/97/83/599109783.db2.gz OVORLQJANAFLKG-UHFFFAOYSA-N -1 3 332.816 3.691 20 0 EHADHM c1csc(-c2nc(CSc3ccccc3-c3nnn[n-]3)co2)c1 ZINC000738449750 599110720 /nfs/dbraw/zinc/11/07/20/599110720.db2.gz VMNPOUBZHSAFMH-UHFFFAOYSA-N -1 3 341.421 3.876 20 0 EHADHM c1csc(-c2nc(CSc3ccccc3-c3nn[n-]n3)co2)c1 ZINC000738449750 599110723 /nfs/dbraw/zinc/11/07/23/599110723.db2.gz VMNPOUBZHSAFMH-UHFFFAOYSA-N -1 3 341.421 3.876 20 0 EHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cc(Cl)ccc1Cl ZINC000736822370 599131621 /nfs/dbraw/zinc/13/16/21/599131621.db2.gz MMCFWQREPYTGGL-UHFFFAOYSA-N -1 3 348.237 3.806 20 0 EHADHM Cc1[nH]c2ccc(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)cc2c1C ZINC000822009692 607267103 /nfs/dbraw/zinc/26/71/03/607267103.db2.gz BKGAXVANPNAXOX-UHFFFAOYSA-N -1 3 346.394 3.526 20 0 EHADHM Cc1[nH]c2ccc(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)cc2c1C ZINC000822009692 607267104 /nfs/dbraw/zinc/26/71/04/607267104.db2.gz BKGAXVANPNAXOX-UHFFFAOYSA-N -1 3 346.394 3.526 20 0 EHADHM Cc1ccccc1CNc1ccc(Br)cc1-c1nnn[n-]1 ZINC000737428945 599361886 /nfs/dbraw/zinc/36/18/86/599361886.db2.gz YQWJNIFTBWEMMK-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM Cc1ccccc1CNc1ccc(Br)cc1-c1nn[n-]n1 ZINC000737428945 599361889 /nfs/dbraw/zinc/36/18/89/599361889.db2.gz YQWJNIFTBWEMMK-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM CC[C@@]1(C)CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820950155 599250036 /nfs/dbraw/zinc/25/00/36/599250036.db2.gz KDJFYIUGMIHUPU-INIZCTEOSA-N -1 3 348.838 3.564 20 0 EHADHM CC[C@@]1(C)CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820950155 599250040 /nfs/dbraw/zinc/25/00/40/599250040.db2.gz KDJFYIUGMIHUPU-INIZCTEOSA-N -1 3 348.838 3.564 20 0 EHADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCCCCCC1 ZINC000737261908 599253639 /nfs/dbraw/zinc/25/36/39/599253639.db2.gz CVMHHXHRONBGJW-UHFFFAOYSA-N -1 3 340.406 3.633 20 0 EHADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCCCCCC1 ZINC000737261908 599253641 /nfs/dbraw/zinc/25/36/41/599253641.db2.gz CVMHHXHRONBGJW-UHFFFAOYSA-N -1 3 340.406 3.633 20 0 EHADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820863873 607289757 /nfs/dbraw/zinc/28/97/57/607289757.db2.gz VLJKFSNGARCWBH-WBMJQRKESA-N -1 3 342.447 3.608 20 0 EHADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820863873 607289758 /nfs/dbraw/zinc/28/97/58/607289758.db2.gz VLJKFSNGARCWBH-WBMJQRKESA-N -1 3 342.447 3.608 20 0 EHADHM c1sc(CNc2cccc(OC3CCCC3)c2)cc1-c1nnn[n-]1 ZINC000823756586 607309318 /nfs/dbraw/zinc/30/93/18/607309318.db2.gz CWEBQVVDCRKWNZ-UHFFFAOYSA-N -1 3 341.440 3.862 20 0 EHADHM c1sc(CNc2cccc(OC3CCCC3)c2)cc1-c1nn[n-]n1 ZINC000823756586 607309319 /nfs/dbraw/zinc/30/93/19/607309319.db2.gz CWEBQVVDCRKWNZ-UHFFFAOYSA-N -1 3 341.440 3.862 20 0 EHADHM CC(C)c1nc2cc(NCc3ccc(-c4nnn[n-]4)s3)ccc2o1 ZINC000820203576 607309725 /nfs/dbraw/zinc/30/97/25/607309725.db2.gz UYXAMPVTZIKPGN-UHFFFAOYSA-N -1 3 340.412 3.805 20 0 EHADHM CCc1ccc([C@@H]2CCCN2c2c(F)cc(-c3nnn[n-]3)cc2F)o1 ZINC000736684532 599266192 /nfs/dbraw/zinc/26/61/92/599266192.db2.gz HNUSITPSQMBHIG-AWEZNQCLSA-N -1 3 345.353 3.642 20 0 EHADHM CCc1ccc([C@@H]2CCCN2c2c(F)cc(-c3nn[n-]n3)cc2F)o1 ZINC000736684532 599266193 /nfs/dbraw/zinc/26/61/93/599266193.db2.gz HNUSITPSQMBHIG-AWEZNQCLSA-N -1 3 345.353 3.642 20 0 EHADHM C[C@@H](Nc1cccc(Cl)c1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000820461105 599283947 /nfs/dbraw/zinc/28/39/47/599283947.db2.gz FIESCVZQLLLKED-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@@H](Nc1cccc(Cl)c1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000820461105 599283950 /nfs/dbraw/zinc/28/39/50/599283950.db2.gz FIESCVZQLLLKED-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM CCCOc1ccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736491241 598242753 /nfs/dbraw/zinc/24/27/53/598242753.db2.gz VZHPPOSAFDDQLE-GFCCVEGCSA-N -1 3 341.390 3.968 20 0 EHADHM Cc1ccccc1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737435930 598316057 /nfs/dbraw/zinc/31/60/57/598316057.db2.gz OJHBKWNUVAHPSB-UHFFFAOYSA-N -1 3 344.831 3.637 20 0 EHADHM Cc1ccccc1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737435930 598316059 /nfs/dbraw/zinc/31/60/59/598316059.db2.gz OJHBKWNUVAHPSB-UHFFFAOYSA-N -1 3 344.831 3.637 20 0 EHADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(S[C@@H]2C=CCCC2)n1 ZINC000737245311 598565440 /nfs/dbraw/zinc/56/54/40/598565440.db2.gz NDLPLFOAUDCNGH-SECBINFHSA-N -1 3 341.362 3.790 20 0 EHADHM Cc1ccc(CCCCC(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000737338871 598574087 /nfs/dbraw/zinc/57/40/87/598574087.db2.gz 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/nfs/dbraw/zinc/63/30/41/598633041.db2.gz JVAYWEHPMXJZSI-UHFFFAOYSA-N -1 3 343.818 3.669 20 0 EHADHM CCOCc1ccccc1CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000736625656 598633043 /nfs/dbraw/zinc/63/30/43/598633043.db2.gz JVAYWEHPMXJZSI-UHFFFAOYSA-N -1 3 343.818 3.669 20 0 EHADHM CCOc1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000736645106 598657453 /nfs/dbraw/zinc/65/74/53/598657453.db2.gz UDFMVIMYZLRLGW-UHFFFAOYSA-N -1 3 329.791 3.531 20 0 EHADHM CCOc1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000736645106 598657455 /nfs/dbraw/zinc/65/74/55/598657455.db2.gz UDFMVIMYZLRLGW-UHFFFAOYSA-N -1 3 329.791 3.531 20 0 EHADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(C2CCCCC2)cc1 ZINC000738150296 598660992 /nfs/dbraw/zinc/66/09/92/598660992.db2.gz DTCBQBLRAGIDQI-UHFFFAOYSA-N -1 3 348.410 3.562 20 0 EHADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(C2CCCCC2)cc1 ZINC000738150296 598660994 /nfs/dbraw/zinc/66/09/94/598660994.db2.gz DTCBQBLRAGIDQI-UHFFFAOYSA-N -1 3 348.410 3.562 20 0 EHADHM Cc1ccccc1OCCSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737430978 598695064 /nfs/dbraw/zinc/69/50/64/598695064.db2.gz BMAOTURSJGWGJX-UHFFFAOYSA-N -1 3 344.415 3.626 20 0 EHADHM Cc1ccccc1OCCSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737430978 598695066 /nfs/dbraw/zinc/69/50/66/598695066.db2.gz BMAOTURSJGWGJX-UHFFFAOYSA-N -1 3 344.415 3.626 20 0 EHADHM CC[C@H](CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736335305 598736437 /nfs/dbraw/zinc/73/64/37/598736437.db2.gz ZVCZPJDOBPFWBZ-LSDHHAIUSA-N -1 3 349.438 3.628 20 0 EHADHM CC[C@H](CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736335305 598736439 /nfs/dbraw/zinc/73/64/39/598736439.db2.gz ZVCZPJDOBPFWBZ-LSDHHAIUSA-N -1 3 349.438 3.628 20 0 EHADHM Cc1cc(Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)ncn1 ZINC000737281311 598787936 /nfs/dbraw/zinc/78/79/36/598787936.db2.gz UELSXNKJZUJMLX-UHFFFAOYSA-N -1 3 345.366 3.501 20 0 EHADHM Cc1cc(Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)ncn1 ZINC000737281311 598787937 /nfs/dbraw/zinc/78/79/37/598787937.db2.gz UELSXNKJZUJMLX-UHFFFAOYSA-N -1 3 345.366 3.501 20 0 EHADHM C[C@@H](c1cc2ccccc2o1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC000736197248 598814175 /nfs/dbraw/zinc/81/41/75/598814175.db2.gz MFXNLPZVERFJLC-NSHDSACASA-N -1 3 337.358 3.949 20 0 EHADHM C[C@@H](c1cc2ccccc2o1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC000736197248 598814176 /nfs/dbraw/zinc/81/41/76/598814176.db2.gz MFXNLPZVERFJLC-NSHDSACASA-N -1 3 337.358 3.949 20 0 EHADHM Cc1nn(-c2ccccc2)c(C)c1Nc1cccc(F)c1-c1nnn[n-]1 ZINC000737504452 598814873 /nfs/dbraw/zinc/81/48/73/598814873.db2.gz ZAIXNOGSRUQCGB-UHFFFAOYSA-N -1 3 349.373 3.552 20 0 EHADHM Cc1nn(-c2ccccc2)c(C)c1Nc1cccc(F)c1-c1nn[n-]n1 ZINC000737504452 598814874 /nfs/dbraw/zinc/81/48/74/598814874.db2.gz ZAIXNOGSRUQCGB-UHFFFAOYSA-N -1 3 349.373 3.552 20 0 EHADHM C[C@H]1CN(c2cc(Cl)ccc2-c2nnn[n-]2)Cc2ccccc21 ZINC000736288541 599396546 /nfs/dbraw/zinc/39/65/46/599396546.db2.gz IWXGPRPSDMILIP-NSHDSACASA-N -1 3 325.803 3.644 20 0 EHADHM C[C@H]1CN(c2cc(Cl)ccc2-c2nn[n-]n2)Cc2ccccc21 ZINC000736288541 599396548 /nfs/dbraw/zinc/39/65/48/599396548.db2.gz 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599527141 /nfs/dbraw/zinc/52/71/41/599527141.db2.gz RIBLRUBBNJZWMS-NSHDSACASA-N -1 3 349.419 3.572 20 0 EHADHM Cc1ccccc1[C@H]1C[C@@H](C)N(c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000822351211 599565136 /nfs/dbraw/zinc/56/51/36/599565136.db2.gz LTZGGMHDYOEFMM-KGLIPLIRSA-N -1 3 337.402 3.697 20 0 EHADHM Cc1ccccc1[C@H]1C[C@@H](C)N(c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000822351211 599565138 /nfs/dbraw/zinc/56/51/38/599565138.db2.gz LTZGGMHDYOEFMM-KGLIPLIRSA-N -1 3 337.402 3.697 20 0 EHADHM Cc1ccc(C(F)(F)F)cc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822230773 599694936 /nfs/dbraw/zinc/69/49/36/599694936.db2.gz QDYSDVRZPNMDDM-UHFFFAOYSA-N -1 3 333.317 3.806 20 0 EHADHM Cc1ccc(C(F)(F)F)cc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822230773 599694937 /nfs/dbraw/zinc/69/49/37/599694937.db2.gz QDYSDVRZPNMDDM-UHFFFAOYSA-N -1 3 333.317 3.806 20 0 EHADHM O=C([O-])[C@@H](NCc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000426792116 599790106 /nfs/dbraw/zinc/79/01/06/599790106.db2.gz IAUXFFSSXAGJQS-AWEZNQCLSA-N -1 3 338.176 3.504 20 0 EHADHM 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VGKGUQKYAAQXMS-UHFFFAOYSA-N -1 3 327.432 3.580 20 0 EHADHM CN(C(=O)CCCC1CCCCC1)c1ccccc1-c1nn[n-]n1 ZINC000825818075 607790798 /nfs/dbraw/zinc/79/07/98/607790798.db2.gz VGKGUQKYAAQXMS-UHFFFAOYSA-N -1 3 327.432 3.580 20 0 EHADHM CC(C)c1ccc([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000824347816 607968427 /nfs/dbraw/zinc/96/84/27/607968427.db2.gz ORHIPCNPMNWHLB-SFHVURJKSA-N -1 3 334.427 3.727 20 0 EHADHM CC(C)c1ccc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000824347816 607968428 /nfs/dbraw/zinc/96/84/28/607968428.db2.gz ORHIPCNPMNWHLB-SFHVURJKSA-N -1 3 334.427 3.727 20 0 EHADHM CCSc1ccccc1OCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825673792 607973365 /nfs/dbraw/zinc/97/33/65/607973365.db2.gz CDCPZCRDYIBAAX-UHFFFAOYSA-N -1 3 342.424 3.566 20 0 EHADHM CCSc1ccccc1OCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825673792 607973366 /nfs/dbraw/zinc/97/33/66/607973366.db2.gz CDCPZCRDYIBAAX-UHFFFAOYSA-N -1 3 342.424 3.566 20 0 EHADHM Cc1sc(NC(=O)c2cc(C)c(F)c(C)c2)c(-c2nnn[n-]2)c1C ZINC000826260987 608123148 /nfs/dbraw/zinc/12/31/48/608123148.db2.gz MJIHKJOPBMALMB-UHFFFAOYSA-N -1 3 345.403 3.553 20 0 EHADHM Cc1sc(NC(=O)c2cc(C)c(F)c(C)c2)c(-c2nn[n-]n2)c1C ZINC000826260987 608123149 /nfs/dbraw/zinc/12/31/49/608123149.db2.gz MJIHKJOPBMALMB-UHFFFAOYSA-N -1 3 345.403 3.553 20 0 EHADHM C[C@@H](NCc1cscc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000824626150 608136319 /nfs/dbraw/zinc/13/63/19/608136319.db2.gz MRXZAMNEDPGYTK-MRVPVSSYSA-N -1 3 337.811 3.572 20 0 EHADHM C[C@@H](NCc1cscc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000824626150 608136320 /nfs/dbraw/zinc/13/63/20/608136320.db2.gz MRXZAMNEDPGYTK-MRVPVSSYSA-N -1 3 337.811 3.572 20 0 EHADHM C[C@H](OC(=O)c1c(F)cccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000824714508 608181529 /nfs/dbraw/zinc/18/15/29/608181529.db2.gz NNBBSNIIKUZZRZ-VIFPVBQESA-N -1 3 346.749 3.577 20 0 EHADHM C[C@H](OC(=O)c1c(F)cccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000824714508 608181531 /nfs/dbraw/zinc/18/15/31/608181531.db2.gz NNBBSNIIKUZZRZ-VIFPVBQESA-N -1 3 346.749 3.577 20 0 EHADHM CC(C)(C)Oc1cc(F)ccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000824119908 608227351 /nfs/dbraw/zinc/22/73/51/608227351.db2.gz SZPXNMCEKYYEMN-UHFFFAOYSA-N -1 3 341.390 3.795 20 0 EHADHM CC(C)(C)Oc1cc(F)ccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000824119908 608227353 /nfs/dbraw/zinc/22/73/53/608227353.db2.gz SZPXNMCEKYYEMN-UHFFFAOYSA-N -1 3 341.390 3.795 20 0 EHADHM CC(C)(C)Oc1cc(F)ccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000824119119 608227398 /nfs/dbraw/zinc/22/73/98/608227398.db2.gz BNUJZLOLPKRYFP-UHFFFAOYSA-N -1 3 341.390 3.795 20 0 EHADHM CC(C)(C)Oc1cc(F)ccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000824119119 608227399 /nfs/dbraw/zinc/22/73/99/608227399.db2.gz BNUJZLOLPKRYFP-UHFFFAOYSA-N -1 3 341.390 3.795 20 0 EHADHM COc1cc(-c2nnn[n-]2)ccc1CNc1cccc(C(F)(F)F)c1 ZINC000826170626 608319402 /nfs/dbraw/zinc/31/94/02/608319402.db2.gz IWGPBXRNQOHAGU-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM COc1cc(-c2nn[n-]n2)ccc1CNc1cccc(C(F)(F)F)c1 ZINC000826170626 608319404 /nfs/dbraw/zinc/31/94/04/608319404.db2.gz IWGPBXRNQOHAGU-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1c(F)cc(Cl)cc1F ZINC000826373161 608388901 /nfs/dbraw/zinc/38/89/01/608388901.db2.gz BSIFZQYZAGKJOR-UHFFFAOYSA-N -1 3 339.708 3.550 20 0 EHADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1c(F)cc(Cl)cc1F ZINC000826373161 608388902 /nfs/dbraw/zinc/38/89/02/608388902.db2.gz BSIFZQYZAGKJOR-UHFFFAOYSA-N -1 3 339.708 3.550 20 0 EHADHM CC[C@H](C)n1ncc(NCc2cc(-c3nnn[n-]3)cs2)c1C1CC1 ZINC000825081649 608427892 /nfs/dbraw/zinc/42/78/92/608427892.db2.gz LJNZFLQGEJRSHC-JTQLQIEISA-N -1 3 343.460 3.585 20 0 EHADHM CC[C@H](C)n1ncc(NCc2cc(-c3nn[n-]n3)cs2)c1C1CC1 ZINC000825081649 608427893 /nfs/dbraw/zinc/42/78/93/608427893.db2.gz LJNZFLQGEJRSHC-JTQLQIEISA-N -1 3 343.460 3.585 20 0 EHADHM Cc1cc(Cl)ccc1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826267598 608571739 /nfs/dbraw/zinc/57/17/39/608571739.db2.gz MIXWCCLDKBKVIY-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1cc(Cl)ccc1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826267598 608571741 /nfs/dbraw/zinc/57/17/41/608571741.db2.gz MIXWCCLDKBKVIY-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Fc1cc(CNc2ccc(-c3nn[n-]n3)cc2)cc(C(F)(F)F)c1 ZINC000826372280 608866536 /nfs/dbraw/zinc/86/65/36/608866536.db2.gz PKMWUQKBFRHHGV-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM C[C@H](Nc1ccc(N2CCCC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824656878 609161975 /nfs/dbraw/zinc/16/19/75/609161975.db2.gz NOZQLEQILXZVPJ-AWEZNQCLSA-N -1 3 334.427 3.640 20 0 EHADHM CC(C)OCc1ccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824315487 609181857 /nfs/dbraw/zinc/18/18/57/609181857.db2.gz OYTWDCDCEVJIMZ-CQSZACIVSA-N -1 3 337.427 3.965 20 0 EHADHM CC(C)OCc1ccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824315487 609181859 /nfs/dbraw/zinc/18/18/59/609181859.db2.gz OYTWDCDCEVJIMZ-CQSZACIVSA-N -1 3 337.427 3.965 20 0 EHADHM C[C@H](Nc1cc(F)ccc1OC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824648725 609247250 /nfs/dbraw/zinc/24/72/50/609247250.db2.gz JGWCQNQDZPHHQA-VIFPVBQESA-N -1 3 349.316 3.780 20 0 EHADHM C[C@H](Nc1cc(F)ccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824648725 609247251 /nfs/dbraw/zinc/24/72/51/609247251.db2.gz JGWCQNQDZPHHQA-VIFPVBQESA-N -1 3 349.316 3.780 20 0 EHADHM CC[C@@H](C)n1nc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000825081046 609254670 /nfs/dbraw/zinc/25/46/70/609254670.db2.gz DUCKPLQZUKQUKX-YPMHNXCESA-N -1 3 325.420 3.516 20 0 EHADHM CC[C@@H](C)n1nc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000825081046 609254672 /nfs/dbraw/zinc/25/46/72/609254672.db2.gz DUCKPLQZUKQUKX-YPMHNXCESA-N -1 3 325.420 3.516 20 0 EHADHM Cc1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)ccc1N(C)C ZINC000826270778 609350486 /nfs/dbraw/zinc/35/04/86/609350486.db2.gz OTPBTSABXWRNOB-LBPRGKRZSA-N -1 3 340.406 3.553 20 0 EHADHM Cc1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)ccc1N(C)C ZINC000826270778 609350488 /nfs/dbraw/zinc/35/04/88/609350488.db2.gz OTPBTSABXWRNOB-LBPRGKRZSA-N -1 3 340.406 3.553 20 0 EHADHM Fc1ccc(C2CCC(Nc3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000826373902 609388215 /nfs/dbraw/zinc/38/82/15/609388215.db2.gz DLGQPPNXWMKNCT-UHFFFAOYSA-N -1 3 338.390 3.539 20 0 EHADHM Fc1ccc(C2CCC(Nc3ccc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC000826373902 609388219 /nfs/dbraw/zinc/38/82/19/609388219.db2.gz DLGQPPNXWMKNCT-UHFFFAOYSA-N -1 3 338.390 3.539 20 0 EHADHM Fc1ccc(C2CCC(Nc3cnccc3-c3nnn[n-]3)CC2)cc1 ZINC000826373923 609388243 /nfs/dbraw/zinc/38/82/43/609388243.db2.gz FCBOWSRGUHWQCA-UHFFFAOYSA-N -1 3 338.390 3.539 20 0 EHADHM Fc1ccc(C2CCC(Nc3cnccc3-c3nn[n-]n3)CC2)cc1 ZINC000826373923 609388244 /nfs/dbraw/zinc/38/82/44/609388244.db2.gz FCBOWSRGUHWQCA-UHFFFAOYSA-N -1 3 338.390 3.539 20 0 EHADHM Clc1ccc(NCc2cncc3ccccc32)cc1-c1nnn[n-]1 ZINC000826352560 609476288 /nfs/dbraw/zinc/47/62/88/609476288.db2.gz FZCFYQLEXZYMFF-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM Clc1ccc(NCc2cncc3ccccc32)cc1-c1nn[n-]n1 ZINC000826352560 609476289 /nfs/dbraw/zinc/47/62/89/609476289.db2.gz FZCFYQLEXZYMFF-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM CCN(C(=O)[C@H](C)c1ccccc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376885 609480676 /nfs/dbraw/zinc/48/06/76/609480676.db2.gz PEBIAECJTGYTJI-CABCVRRESA-N -1 3 349.438 3.580 20 0 EHADHM CCN(C(=O)[C@H](C)c1ccccc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376885 609480677 /nfs/dbraw/zinc/48/06/77/609480677.db2.gz PEBIAECJTGYTJI-CABCVRRESA-N -1 3 349.438 3.580 20 0 EHADHM Cc1c(Cl)cnc(N[C@H](c2ccccc2)C2CC2)c1-c1nnn[n-]1 ZINC000826238253 609526653 /nfs/dbraw/zinc/52/66/53/609526653.db2.gz APCYNTUDZAOTBF-OAHLLOKOSA-N -1 3 340.818 3.787 20 0 EHADHM Cc1c(Cl)cnc(N[C@H](c2ccccc2)C2CC2)c1-c1nn[n-]n1 ZINC000826238253 609526654 /nfs/dbraw/zinc/52/66/54/609526654.db2.gz APCYNTUDZAOTBF-OAHLLOKOSA-N -1 3 340.818 3.787 20 0 EHADHM Cc1c2ccccc2oc1[C@@H](C)Nc1nccc(C)c1-c1nnn[n-]1 ZINC000826311761 609538426 /nfs/dbraw/zinc/53/84/26/609538426.db2.gz MRVDSCXSWQBMRW-GFCCVEGCSA-N -1 3 334.383 3.798 20 0 EHADHM Cc1c2ccccc2oc1[C@@H](C)Nc1nccc(C)c1-c1nn[n-]n1 ZINC000826311761 609538427 /nfs/dbraw/zinc/53/84/27/609538427.db2.gz MRVDSCXSWQBMRW-GFCCVEGCSA-N -1 3 334.383 3.798 20 0 EHADHM Cc1ccc2c(c1)[C@@H](Nc1ncc(-c3nnn[n-]3)cc1Cl)[C@@H](C)C2 ZINC000826294650 609570156 /nfs/dbraw/zinc/57/01/56/609570156.db2.gz YGQFZVDSFJJEAM-BONVTDFDSA-N -1 3 340.818 3.569 20 0 EHADHM Cc1ccc2c(c1)[C@@H](Nc1ncc(-c3nn[n-]n3)cc1Cl)[C@@H](C)C2 ZINC000826294650 609570158 /nfs/dbraw/zinc/57/01/58/609570158.db2.gz YGQFZVDSFJJEAM-BONVTDFDSA-N -1 3 340.818 3.569 20 0 EHADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824910249 609576275 /nfs/dbraw/zinc/57/62/75/609576275.db2.gz WJRQJHYIOXMNCS-RKDXNWHRSA-N -1 3 345.756 3.687 20 0 EHADHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824910249 609576278 /nfs/dbraw/zinc/57/62/78/609576278.db2.gz WJRQJHYIOXMNCS-RKDXNWHRSA-N -1 3 345.756 3.687 20 0 EHADHM C[C@@H]1CC(C)(C)c2ccccc2N1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824874474 609622824 /nfs/dbraw/zinc/62/28/24/609622824.db2.gz DASBLHOIFCRVDZ-CYBMUJFWSA-N -1 3 347.422 3.583 20 0 EHADHM C[C@@H]1CC(C)(C)c2ccccc2N1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824874474 609622825 /nfs/dbraw/zinc/62/28/25/609622825.db2.gz DASBLHOIFCRVDZ-CYBMUJFWSA-N -1 3 347.422 3.583 20 0 EHADHM CC(C)c1ccc(CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000515748106 944634530 /nfs/dbraw/zinc/63/45/30/944634530.db2.gz OEKJQNRFIANHMM-UHFFFAOYSA-N -1 3 335.411 3.561 20 0 EHADHM CC(C)c1ccc(CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000515748106 944634535 /nfs/dbraw/zinc/63/45/35/944634535.db2.gz OEKJQNRFIANHMM-UHFFFAOYSA-N -1 3 335.411 3.561 20 0 EHADHM Cc1cc(COc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)no1 ZINC000822201231 945985875 /nfs/dbraw/zinc/98/58/75/945985875.db2.gz WXKUZYNSBHCUCQ-UHFFFAOYSA-N -1 3 349.350 3.534 20 0 EHADHM Cc1cc(COc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)no1 ZINC000822201231 945985882 /nfs/dbraw/zinc/98/58/82/945985882.db2.gz WXKUZYNSBHCUCQ-UHFFFAOYSA-N -1 3 349.350 3.534 20 0 EHADHM CC(=O)c1ccc(-c2nnn[n-]2)c(N[C@H](C)CCc2ccccc2)c1 ZINC000824014940 946554325 /nfs/dbraw/zinc/55/43/25/946554325.db2.gz OWJHCAIBMQWIEH-CYBMUJFWSA-N -1 3 335.411 3.503 20 0 EHADHM CC(=O)c1ccc(-c2nn[n-]n2)c(N[C@H](C)CCc2ccccc2)c1 ZINC000824014940 946554340 /nfs/dbraw/zinc/55/43/40/946554340.db2.gz OWJHCAIBMQWIEH-CYBMUJFWSA-N -1 3 335.411 3.503 20 0 EHADHM CCCCC[C@H](CC)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825266720 947135765 /nfs/dbraw/zinc/13/57/65/947135765.db2.gz GTXJUSACVOFZKY-AWEZNQCLSA-N -1 3 341.459 3.579 20 0 EHADHM CCCCC[C@H](CC)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825266720 947135767 /nfs/dbraw/zinc/13/57/67/947135767.db2.gz GTXJUSACVOFZKY-AWEZNQCLSA-N -1 3 341.459 3.579 20 0 EHADHM Cc1ccc([C@H](C)Nc2ncc(Cl)c(C)c2-c2nnn[n-]2)s1 ZINC000826283828 947814901 /nfs/dbraw/zinc/81/49/01/947814901.db2.gz BTYBCKPKLRUAML-VIFPVBQESA-N -1 3 334.836 3.767 20 0 EHADHM Cc1ccc([C@H](C)Nc2ncc(Cl)c(C)c2-c2nn[n-]n2)s1 ZINC000826283828 947814909 /nfs/dbraw/zinc/81/49/09/947814909.db2.gz BTYBCKPKLRUAML-VIFPVBQESA-N -1 3 334.836 3.767 20 0 EHADHM Cc1ccnc(N[C@@H](C)c2cc3ccccc3s2)c1-c1nnn[n-]1 ZINC000826311670 947903182 /nfs/dbraw/zinc/90/31/82/947903182.db2.gz KPBDYTFVUOTHDU-NSHDSACASA-N -1 3 336.424 3.958 20 0 EHADHM Cc1ccnc(N[C@@H](C)c2cc3ccccc3s2)c1-c1nn[n-]n1 ZINC000826311670 947903189 /nfs/dbraw/zinc/90/31/89/947903189.db2.gz KPBDYTFVUOTHDU-NSHDSACASA-N -1 3 336.424 3.958 20 0 EHADHM Cc1ccnc(N[C@@H](C)c2ccc(F)c(Cl)c2)c1-c1nnn[n-]1 ZINC000826311920 947905621 /nfs/dbraw/zinc/90/56/21/947905621.db2.gz QTQKAVMJSAIEQZ-VIFPVBQESA-N -1 3 332.770 3.536 20 0 EHADHM Cc1ccnc(N[C@@H](C)c2ccc(F)c(Cl)c2)c1-c1nn[n-]n1 ZINC000826311920 947905631 /nfs/dbraw/zinc/90/56/31/947905631.db2.gz QTQKAVMJSAIEQZ-VIFPVBQESA-N -1 3 332.770 3.536 20 0 EHADHM CC(C)[C@](C)(Cc1ccccc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001463836663 948531200 /nfs/dbraw/zinc/53/12/00/948531200.db2.gz VSPWSBQCLCXGNV-FQEVSTJZSA-N -1 3 349.438 3.710 20 0 EHADHM CC(C)[C@](C)(Cc1ccccc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001463836663 948531210 /nfs/dbraw/zinc/53/12/10/948531210.db2.gz 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20 0 EHADHM Cc1ccc(N2CCC(C(=O)Nc3ccc(Cl)cc3[O-])CC2)nc1 ZINC000153490577 1120854675 /nfs/dbraw/zinc/85/46/75/1120854675.db2.gz QGXDYFRHIROLGA-UHFFFAOYSA-N -1 3 345.830 3.604 20 0 EHADHM Cc1cc([C@@H](C)NC(=O)c2cc(=O)c3ccccc3[n-]2)c(C)s1 ZINC000053463247 1121010979 /nfs/dbraw/zinc/01/09/79/1121010979.db2.gz QNCWPAQMWRHMAF-LLVKDONJSA-N -1 3 326.421 3.697 20 0 EHADHM C[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)N[C@@H](C)c1ccccc1 ZINC000914890027 1121040160 /nfs/dbraw/zinc/04/01/60/1121040160.db2.gz BCFKMZXNLJTERU-NWDGAFQWSA-N -1 3 342.420 3.652 20 0 EHADHM C[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)N[C@H](C)c1ccccc1 ZINC000914890031 1121040283 /nfs/dbraw/zinc/04/02/83/1121040283.db2.gz BCFKMZXNLJTERU-VXGBXAGGSA-N -1 3 342.420 3.652 20 0 EHADHM O=C(OCc1cc(F)cc2cccnc21)c1cc(-c2ccco2)[n-]n1 ZINC000914899710 1121048272 /nfs/dbraw/zinc/04/82/72/1121048272.db2.gz HKJDBMHQGSOHEH-UHFFFAOYSA-N -1 3 337.310 3.714 20 0 EHADHM O=C(OCc1cc(F)cc2cccnc21)c1cc(-c2ccco2)n[n-]1 ZINC000914899710 1121048280 /nfs/dbraw/zinc/04/82/80/1121048280.db2.gz HKJDBMHQGSOHEH-UHFFFAOYSA-N -1 3 337.310 3.714 20 0 EHADHM CCCCSCC(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000915744356 1121609463 /nfs/dbraw/zinc/60/94/63/1121609463.db2.gz ACXBODKSTVVTBJ-UHFFFAOYSA-N -1 3 345.468 3.883 20 0 EHADHM Cc1nc(-c2ccc(OC(=O)c3cc4ccsc4[n-]3)cc2)no1 ZINC000916846936 1122367705 /nfs/dbraw/zinc/36/77/05/1122367705.db2.gz PBILDDVRKNSINR-UHFFFAOYSA-N -1 3 325.349 3.807 20 0 EHADHM CC1(NC(=O)NCc2ccc([O-])c(Br)c2)CCCCC1 ZINC000126247360 1122397504 /nfs/dbraw/zinc/39/75/04/1122397504.db2.gz UIEKMGNDLVWAIH-UHFFFAOYSA-N -1 3 341.249 3.677 20 0 EHADHM O=C(Cc1cc(F)ccc1F)Nc1cc(Br)ccc1[O-] ZINC000126429085 1122405651 /nfs/dbraw/zinc/40/56/51/1122405651.db2.gz NWLWIFJPQZCSMA-UHFFFAOYSA-N -1 3 342.139 3.614 20 0 EHADHM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1cccc([O-])c1F ZINC000128387153 1122582168 /nfs/dbraw/zinc/58/21/68/1122582168.db2.gz BADOWEUZPDKDQY-SECBINFHSA-N -1 3 343.276 3.956 20 0 EHADHM O=C([O-])c1cccnc1NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000917369243 1122588198 /nfs/dbraw/zinc/58/81/98/1122588198.db2.gz HQUHSFGVNGMGCJ-MRXNPFEDSA-N -1 3 345.830 3.682 20 0 EHADHM CC(C)(C)[C@H]1CN(C(=O)c2cc3c(cc2[O-])OCO3)c2ccccc21 ZINC000444633751 1122694370 /nfs/dbraw/zinc/69/43/70/1122694370.db2.gz VTYOYJATEZIMCE-AWEZNQCLSA-N -1 3 339.391 3.911 20 0 EHADHM O=C(Nc1cccc([O-])c1F)C1(c2ccccc2Cl)CCOCC1 ZINC000129347984 1122765488 /nfs/dbraw/zinc/76/54/88/1122765488.db2.gz RYKJWTPXYHRTJB-UHFFFAOYSA-N -1 3 349.789 3.872 20 0 EHADHM O=C(Nc1cccc([O-])c1F)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000129767351 1122845655 /nfs/dbraw/zinc/84/56/55/1122845655.db2.gz MJGMSHRHQBTPCP-UHFFFAOYSA-N -1 3 339.326 3.711 20 0 EHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cc2ccccc2c(=O)[nH]1 ZINC000129997623 1122864094 /nfs/dbraw/zinc/86/40/94/1122864094.db2.gz AFRGXXXLPSDSDR-UHFFFAOYSA-N -1 3 348.280 3.505 20 0 EHADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)c1 ZINC000033635841 1122927955 /nfs/dbraw/zinc/92/79/55/1122927955.db2.gz 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ZINC000134151135 1123495673 /nfs/dbraw/zinc/49/56/73/1123495673.db2.gz LUUDJZDBMWYRGS-LBPRGKRZSA-N -1 3 336.438 3.627 20 0 EHADHM Cc1cc(S(=O)(=O)[N-][C@H](c2ccccn2)C2CC2)sc1Cl ZINC000921429292 1123544331 /nfs/dbraw/zinc/54/43/31/1123544331.db2.gz PNNMWJTZLRZQMN-ZDUSSCGKSA-N -1 3 342.873 3.535 20 0 EHADHM CC[C@H](C)[C@H](C(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1ccccc1 ZINC000136989798 1123743105 /nfs/dbraw/zinc/74/31/05/1123743105.db2.gz CCFHYFJGFQKKPF-LIRRHRJNSA-N -1 3 349.438 3.559 20 0 EHADHM CC[C@H](C)[C@H](C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1ccccc1 ZINC000136989798 1123743108 /nfs/dbraw/zinc/74/31/08/1123743108.db2.gz CCFHYFJGFQKKPF-LIRRHRJNSA-N -1 3 349.438 3.559 20 0 EHADHM Cc1sc([N-]C(=O)c2cc(-c3ccccn3)no2)nc1C(C)C ZINC000617245608 1124453875 /nfs/dbraw/zinc/45/38/75/1124453875.db2.gz GSTGEMAQPNSLAH-UHFFFAOYSA-N -1 3 328.397 3.877 20 0 EHADHM C=CCCC[C@@H](C)NC(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000181113399 1124527675 /nfs/dbraw/zinc/52/76/75/1124527675.db2.gz OFNNTAFHNQEENB-SNVBAGLBSA-N -1 3 344.242 3.682 20 0 EHADHM COc1cc(C(=O)N2CCCC3(CCCC3)CC2)cc(OC)c1[O-] ZINC000617564631 1124657261 /nfs/dbraw/zinc/65/72/61/1124657261.db2.gz ZSQAIIHFVSINHX-UHFFFAOYSA-N -1 3 333.428 3.596 20 0 EHADHM CC(C)c1ccc2c(c1)CN(C(=O)c1cc(=O)c3ccccc3[n-]1)CC2 ZINC000617606618 1124676217 /nfs/dbraw/zinc/67/62/17/1124676217.db2.gz CZBMUZGSTGOAHO-UHFFFAOYSA-N -1 3 346.430 3.850 20 0 EHADHM CCc1ccc([O-])c(C(=O)N(C)Cc2c(C)nc3sc(C)cn32)c1 ZINC000089740409 1124846186 /nfs/dbraw/zinc/84/61/86/1124846186.db2.gz LYEMFGMXPXMQJL-UHFFFAOYSA-N -1 3 343.452 3.553 20 0 EHADHM CCc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1CC ZINC000091578899 1124989171 /nfs/dbraw/zinc/98/91/71/1124989171.db2.gz MANLRTCQQOTCOA-UHFFFAOYSA-N -1 3 346.452 3.571 20 0 EHADHM COc1ccc([C@H]2CCCN2C(=O)Cc2ccc([O-])c(F)c2)cc1F ZINC000618388215 1125063618 /nfs/dbraw/zinc/06/36/18/1125063618.db2.gz JNNNECJQSMHOML-MRXNPFEDSA-N -1 3 347.361 3.585 20 0 EHADHM CC(C)[C@@H]1CN(C(=O)c2cc3c(cc2[O-])OCO3)c2ccccc21 ZINC000446921929 1125405818 /nfs/dbraw/zinc/40/58/18/1125405818.db2.gz JVNIAPGPAVXOQB-AWEZNQCLSA-N -1 3 325.364 3.521 20 0 EHADHM CCC([N-]S(=O)(=O)c1cccc(Cl)c1F)(C1CC1)C1CC1 ZINC001212504160 1129214587 /nfs/dbraw/zinc/21/45/87/1129214587.db2.gz FGMPRSBGDSRLME-UHFFFAOYSA-N -1 3 331.840 3.726 20 0 EHADHM CCc1ccc(C(=O)N2Cc3cccc(Br)c3C2)c([O-])c1 ZINC000682532600 1129220246 /nfs/dbraw/zinc/22/02/46/1129220246.db2.gz RFSJQFSCFWTGRN-UHFFFAOYSA-N -1 3 346.224 3.873 20 0 EHADHM CC(C)N(Cc1ccccc1F)C(=O)c1nnc2ccccc2c1[O-] ZINC000735657448 1131370022 /nfs/dbraw/zinc/37/00/22/1131370022.db2.gz ZLCKHLQNDHLZKB-UHFFFAOYSA-N -1 3 339.370 3.525 20 0 EHADHM Cc1cccc([O-])c1C(=O)N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000624930465 1129594418 /nfs/dbraw/zinc/59/44/18/1129594418.db2.gz BBVLLYWEYXDRRA-FXAWDEMLSA-N -1 3 339.435 3.941 20 0 EHADHM [O-]c1cccc(CN(CCc2ccccc2)[C@@H]2CCOC2)c1Cl ZINC000509039492 1129685010 /nfs/dbraw/zinc/68/50/10/1129685010.db2.gz RFJCBHZLDANYFB-QGZVFWFLSA-N -1 3 331.843 3.879 20 0 EHADHM O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cccc(O)c1[O-] ZINC000186825738 1129851260 /nfs/dbraw/zinc/85/12/60/1129851260.db2.gz SCGMXVNFOMLQHV-UHFFFAOYSA-N -1 3 329.686 3.605 20 0 EHADHM Cc1ncc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)s1 ZINC000178566432 1131404014 /nfs/dbraw/zinc/40/40/14/1131404014.db2.gz CCGGOJZREHXUDE-UHFFFAOYSA-N -1 3 336.829 3.876 20 0 EHADHM O=C(Cc1c[nH]c2cc(Cl)ccc12)NCc1ccc([O-])c(F)c1 ZINC000132811582 1129918947 /nfs/dbraw/zinc/91/89/47/1129918947.db2.gz UIQDLWHIHYOUNS-UHFFFAOYSA-N -1 3 332.762 3.525 20 0 EHADHM Cc1cc(O[C@H](C)C(=O)NCc2ccc([O-])c(F)c2)ccc1Cl ZINC000132830669 1129919163 /nfs/dbraw/zinc/91/91/63/1129919163.db2.gz IXTXXCDWDHVCCJ-LLVKDONJSA-N -1 3 337.778 3.577 20 0 EHADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000132966706 1129925926 /nfs/dbraw/zinc/92/59/26/1129925926.db2.gz PFICFBQWHKVBIB-UHFFFAOYSA-N -1 3 331.240 3.619 20 0 EHADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@H](c3ccc(F)c(F)c3)C2)n1 ZINC000625656084 1129969989 /nfs/dbraw/zinc/96/99/89/1129969989.db2.gz 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CC[C@@H](C)Oc1cccc(NC(=O)c2nnc3ccccc3c2[O-])c1 ZINC000732277112 1130905179 /nfs/dbraw/zinc/90/51/79/1130905179.db2.gz AIISTPGXIKMGOF-GFCCVEGCSA-N -1 3 337.379 3.765 20 0 EHADHM CCN(Cc1ccc(Cl)cc1)C(=O)c1nnc2ccccc2c1[O-] ZINC000732267986 1130906902 /nfs/dbraw/zinc/90/69/02/1130906902.db2.gz ATCAWBZAUIODIJ-UHFFFAOYSA-N -1 3 341.798 3.651 20 0 EHADHM COc1cc2c(cc1CNCc1ccc([O-])c(Cl)c1)O[C@@H](C)C2 ZINC000733324405 1131025393 /nfs/dbraw/zinc/02/53/93/1131025393.db2.gz WIEDHIDNDCXLNT-NSHDSACASA-N -1 3 333.815 3.667 20 0 EHADHM O=C(CCC1CCCCC1)[N-]OCCCOc1ccc2c(c1)OCO2 ZINC000733998057 1131184390 /nfs/dbraw/zinc/18/43/90/1131184390.db2.gz MMVORJMCESCEGW-UHFFFAOYSA-N -1 3 349.427 3.593 20 0 EHADHM O=C(Cc1cccc2ccccc21)[N-]OCc1cc(F)ccc1F ZINC000738294656 1131467246 /nfs/dbraw/zinc/46/72/46/1131467246.db2.gz OHROYGCNCNRNSN-UHFFFAOYSA-N -1 3 327.330 3.909 20 0 EHADHM COc1ccc(C(=O)Nc2cccc(C=Cc3nccc(=O)[n-]3)c2)cc1 ZINC000742220778 1131697938 /nfs/dbraw/zinc/69/79/38/1131697938.db2.gz 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/nfs/dbraw/zinc/03/05/42/1137030542.db2.gz QMBBNNZLGUYRBB-AWEZNQCLSA-N -1 3 327.424 3.714 20 0 EHADHM CC[C@H]([N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1)c1ccccn1 ZINC000822574458 1137065466 /nfs/dbraw/zinc/06/54/66/1137065466.db2.gz HBAMXUJEVXNIEX-LBPRGKRZSA-N -1 3 339.773 3.798 20 0 EHADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001136769109 1137112110 /nfs/dbraw/zinc/11/21/10/1137112110.db2.gz ANMFOUVGCKQRHV-INIZCTEOSA-N -1 3 340.402 3.923 20 0 EHADHM CC(=Cc1ccc(Cl)cc1)C(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000824154246 1137127017 /nfs/dbraw/zinc/12/70/17/1137127017.db2.gz KRYJDJVXDQYRJG-LUAWRHEFSA-N -1 3 345.830 3.599 20 0 EHADHM CCc1nocc1C(=O)[N-]c1n[nH]c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000824373989 1137135871 /nfs/dbraw/zinc/13/58/71/1137135871.db2.gz ILCUKCJJFYLMRO-UHFFFAOYSA-N -1 3 339.399 3.572 20 0 EHADHM CC(C)CCc1nnc([N-]C(=O)c2cc(C=O)sc2Cl)s1 ZINC000824684528 1137148205 /nfs/dbraw/zinc/14/82/05/1137148205.db2.gz VFAKNIBPBGBKQO-UHFFFAOYSA-N -1 3 343.861 3.906 20 0 EHADHM COC[C@H](CC(C)C)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000825011800 1137161679 /nfs/dbraw/zinc/16/16/79/1137161679.db2.gz YDPDVNVDKWAEGT-HNNXBMFYSA-N -1 3 346.393 3.647 20 0 EHADHM Cc1ccccc1SC[C@@H](C)CSc1nc2nncc-2c(O)[n-]1 ZINC000863455187 1137187501 /nfs/dbraw/zinc/18/75/01/1137187501.db2.gz YJCGDQLQCXPODA-SNVBAGLBSA-N -1 3 346.481 3.887 20 0 EHADHM CCCO[N-]C(=O)Cc1csc2ccc(Br)cc12 ZINC000844087757 1137196979 /nfs/dbraw/zinc/19/69/79/1137196979.db2.gz YBRWYJVFJAZXQI-UHFFFAOYSA-N -1 3 328.231 3.664 20 0 EHADHM Cc1ccccc1C[C@@H](CNCc1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC000864505714 1137230651 /nfs/dbraw/zinc/23/06/51/1137230651.db2.gz RGFPAZUYDRALDK-HNNXBMFYSA-N -1 3 346.496 3.782 20 0 EHADHM Cc1c([N-]S(=O)(=O)C2=CCCCC2)cnn1-c1ccc(C)cc1 ZINC000844677586 1137246190 /nfs/dbraw/zinc/24/61/90/1137246190.db2.gz BBXJCFXGHXQIPS-UHFFFAOYSA-N -1 3 331.441 3.689 20 0 EHADHM C[C@@H](CC(=O)Nc1ncc([O-])cc1Br)c1ccccc1 ZINC001144419069 1137290274 /nfs/dbraw/zinc/29/02/74/1137290274.db2.gz BFILAFHCSGHBII-JTQLQIEISA-N -1 3 335.201 3.682 20 0 EHADHM C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1C(F)(F)F ZINC001144633260 1137321176 /nfs/dbraw/zinc/32/11/76/1137321176.db2.gz NDQKYRLOLGGHRS-JTQLQIEISA-N -1 3 341.304 3.970 20 0 EHADHM COc1ccc(CNC(=O)Cc2ccc([O-])c(F)c2)c2ccccc12 ZINC001144633076 1137321226 /nfs/dbraw/zinc/32/12/26/1137321226.db2.gz CHXMDSKXLMREKQ-UHFFFAOYSA-N -1 3 339.366 3.552 20 0 EHADHM O=C([O-])c1ccsc1CN1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC001144664327 1137324937 /nfs/dbraw/zinc/32/49/37/1137324937.db2.gz FGOQIUKFLONKLS-UHFFFAOYSA-N -1 3 347.411 3.680 20 0 EHADHM Cc1nc(-c2ccc(NCC(C)(C)C(C)(F)F)nc2)[n-]c(=O)c1C ZINC000866185820 1137334055 /nfs/dbraw/zinc/33/40/55/1137334055.db2.gz HIVIGFXWMZTURY-UHFFFAOYSA-N -1 3 336.386 3.954 20 0 EHADHM Cc1c(CN(C)C(=O)c2ccc(O)cc2[O-])oc2c1cccc2C ZINC001144862253 1137355042 /nfs/dbraw/zinc/35/50/42/1137355042.db2.gz KEPNIHCSNFCEHS-UHFFFAOYSA-N -1 3 325.364 3.733 20 0 EHADHM CC[C@H](C)c1ccc([C@H](C)NCc2nc3c(c(=O)[n-]2)COCC3)cc1 ZINC000866630766 1137371416 /nfs/dbraw/zinc/37/14/16/1137371416.db2.gz VZMSGBHXJBKMDJ-KBPBESRZSA-N -1 3 341.455 3.619 20 0 EHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cccc(Oc2ccncc2)c1 ZINC001144984076 1137375427 /nfs/dbraw/zinc/37/54/27/1137375427.db2.gz DGJUSSIXJAXNEZ-UHFFFAOYSA-N -1 3 338.338 3.900 20 0 EHADHM COc1cc(C(=O)[N-]c2cc(-c3ccccc3)cc(Cl)n2)on1 ZINC001146931950 1137397379 /nfs/dbraw/zinc/39/73/79/1137397379.db2.gz IKEDYDWHLBUEIG-UHFFFAOYSA-N -1 3 329.743 3.651 20 0 EHADHM COc1cccc(C(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)c1[O-] ZINC001148263760 1137420985 /nfs/dbraw/zinc/42/09/85/1137420985.db2.gz BCAJKDHDVKBMPQ-UHFFFAOYSA-N -1 3 327.380 3.882 20 0 EHADHM COCCOc1ccc(-c2nc3ccc(C)c(C)c3c(=O)[n-]2)cc1F ZINC000871601825 1137548350 /nfs/dbraw/zinc/54/83/50/1137548350.db2.gz NPUVHAKILAVAEK-UHFFFAOYSA-N -1 3 342.370 3.784 20 0 EHADHM COc1cc(CN[C@H](C(=O)[O-])c2ccccc2C)ccc1SC ZINC000871882952 1137562504 /nfs/dbraw/zinc/56/25/04/1137562504.db2.gz YBRVXXZISKIRFE-KRWDZBQOSA-N -1 3 331.437 3.641 20 0 EHADHM C[C@H](NCc1cccnc1OCC(F)(F)F)c1cccc([O-])c1F ZINC000872021005 1137565143 /nfs/dbraw/zinc/56/51/43/1137565143.db2.gz MOWZYQVTOUBEMT-JTQLQIEISA-N -1 3 344.308 3.718 20 0 EHADHM CC[C@@H](C)NC(=O)c1cccc(CN[C@@H](C)c2cccc([O-])c2F)c1 ZINC000872025215 1137565662 /nfs/dbraw/zinc/56/56/62/1137565662.db2.gz IJLHWYAZAJECIB-KGLIPLIRSA-N -1 3 344.430 3.910 20 0 EHADHM CC(=O)N1CC[C@H](N[C@@H](C)c2cccc([O-])c2F)c2ccccc21 ZINC000872051785 1137568047 /nfs/dbraw/zinc/56/80/47/1137568047.db2.gz NFJJEOKTMXIBDK-LRDDRELGSA-N -1 3 328.387 3.680 20 0 EHADHM COC[C@@H](N[C@@H](C)c1cccc([O-])c1F)c1ccc(F)c(F)c1 ZINC000872052383 1137568143 /nfs/dbraw/zinc/56/81/43/1137568143.db2.gz DBPGNHAQBVSLCC-ZUZCIYMTSA-N -1 3 325.330 3.848 20 0 EHADHM COC[C@@H](N[C@H](C)c1cccc([O-])c1F)c1ccc(F)c(F)c1 ZINC000872052382 1137568154 /nfs/dbraw/zinc/56/81/54/1137568154.db2.gz DBPGNHAQBVSLCC-MEBBXXQBSA-N -1 3 325.330 3.848 20 0 EHADHM Cn1nc(C(=O)[O-])cc1CN[C@H](c1ccccc1)C1CCCCC1 ZINC000874039712 1137609771 /nfs/dbraw/zinc/60/97/71/1137609771.db2.gz RSMGNWIBEFBVIC-GOSISDBHSA-N -1 3 327.428 3.530 20 0 EHADHM Cc1sc(-c2ccco2)nc1C(=O)[N-]c1nc(C(C)C)ns1 ZINC000874697389 1137621519 /nfs/dbraw/zinc/62/15/19/1137621519.db2.gz MXLYZIWDKOCFOA-UHFFFAOYSA-N -1 3 334.426 3.939 20 0 EHADHM COc1ccc([C@@H](C)N(C)Cc2nnc(-c3ccccc3[O-])o2)cc1 ZINC000877896501 1137694575 /nfs/dbraw/zinc/69/45/75/1137694575.db2.gz CLNIDHPINMROLC-CYBMUJFWSA-N -1 3 339.395 3.644 20 0 EHADHM Cc1ccccc1CN(Cc1nnc(-c2ccccc2[O-])o1)C1CC1 ZINC000878002615 1137699072 /nfs/dbraw/zinc/69/90/72/1137699072.db2.gz FOSKVHHMZJIDBW-UHFFFAOYSA-N -1 3 335.407 3.915 20 0 EHADHM CC(C)N(Cc1nnc(-c2ccccc2[O-])o1)Cc1ccc(F)cc1 ZINC000878005311 1137699183 /nfs/dbraw/zinc/69/91/83/1137699183.db2.gz MTXJCMLBNTXSES-UHFFFAOYSA-N -1 3 341.386 3.992 20 0 EHADHM O=C(Nc1cc(F)ccc1[O-])[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000127052525 1137711681 /nfs/dbraw/zinc/71/16/81/1137711681.db2.gz BBNVEEWSYDOGIE-ZDUSSCGKSA-N -1 3 330.142 3.510 20 0 EHADHM C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1nnc(-c2ccccc2[O-])o1 ZINC000878391297 1137713993 /nfs/dbraw/zinc/71/39/93/1137713993.db2.gz CYRLYEPNTLJCDL-QWRGUYRKSA-N -1 3 341.333 3.605 20 0 EHADHM Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc3ccsc3[n-]2)cc1F ZINC000023346722 1137748930 /nfs/dbraw/zinc/74/89/30/1137748930.db2.gz XCWUHJFNKBKGGJ-JTQLQIEISA-N -1 3 346.383 3.861 20 0 EHADHM O=C([N-]OCc1cccnc1)Nc1nc(C2CCCCC2)cs1 ZINC000880245198 1137771957 /nfs/dbraw/zinc/77/19/57/1137771957.db2.gz NFHXNIWFYGIRLW-UHFFFAOYSA-N -1 3 332.429 3.839 20 0 EHADHM CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1cccc([O-])c1F ZINC000128815973 1137800809 /nfs/dbraw/zinc/80/08/09/1137800809.db2.gz NZXODHHWUCTUHU-UHFFFAOYSA-N -1 3 330.359 3.768 20 0 EHADHM O=C(OCc1cc(Cl)nc2ccccc12)c1cccc2nn[n-]c21 ZINC000800208714 1137902701 /nfs/dbraw/zinc/90/27/01/1137902701.db2.gz OGZLMMDEPZOSJO-UHFFFAOYSA-N -1 3 338.754 3.517 20 0 EHADHM O=C(OCc1cc(Cl)nc2ccccc12)c1cccc2[n-]nnc21 ZINC000800208714 1137902702 /nfs/dbraw/zinc/90/27/02/1137902702.db2.gz OGZLMMDEPZOSJO-UHFFFAOYSA-N -1 3 338.754 3.517 20 0 EHADHM O=C(OCc1cc(Cl)nc2ccccc12)c1cccc2n[n-]nc21 ZINC000800208714 1137902703 /nfs/dbraw/zinc/90/27/03/1137902703.db2.gz OGZLMMDEPZOSJO-UHFFFAOYSA-N -1 3 338.754 3.517 20 0 EHADHM COc1ccc(N[C@@H]2CCCc3ccccc32)cc1[N-]S(C)(=O)=O ZINC000112521404 1137908302 /nfs/dbraw/zinc/90/83/02/1137908302.db2.gz PKLRDGTTWCBJCI-MRXNPFEDSA-N -1 3 346.452 3.556 20 0 EHADHM CC(C)c1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)c([O-])c1 ZINC000332028977 1137929012 /nfs/dbraw/zinc/92/90/12/1137929012.db2.gz ZBNRLQHWUVDDFI-SJLPKXTDSA-N -1 3 343.398 3.603 20 0 EHADHM COc1cccc(C(=O)N2CCOc3c2cccc3C(C)(C)C)c1[O-] ZINC000332240097 1137936889 /nfs/dbraw/zinc/93/68/89/1137936889.db2.gz VAWHLJDIYMRPAY-UHFFFAOYSA-N -1 3 341.407 3.738 20 0 EHADHM C[C@@H]1C[C@@H](C)CCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000119124286 1137938370 /nfs/dbraw/zinc/93/83/70/1137938370.db2.gz VXNXNQYQLCXOKW-NWDGAFQWSA-N -1 3 343.452 3.865 20 0 EHADHM CC(C)(C)C1CC(C(=O)OCc2nnc(-c3ccccc3[O-])o2)C1 ZINC000884546312 1137962763 /nfs/dbraw/zinc/96/27/63/1137962763.db2.gz HJVUCUAFKSUIQE-UHFFFAOYSA-N -1 3 330.384 3.558 20 0 EHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@@H](C2CCOCC2)C1 ZINC000886157103 1138053760 /nfs/dbraw/zinc/05/37/60/1138053760.db2.gz UODXTJGYQOTMAH-QGZVFWFLSA-N -1 3 339.435 3.824 20 0 EHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2cccc(C)c2)c1 ZINC000121928232 1138252398 /nfs/dbraw/zinc/25/23/98/1138252398.db2.gz RQGRLONDYRDJAI-GOSISDBHSA-N -1 3 338.407 3.636 20 0 EHADHM COc1cncc(S(=O)(=O)[N-]c2cc(Cl)c(C)cc2Cl)c1 ZINC000337193512 1138491570 /nfs/dbraw/zinc/49/15/70/1138491570.db2.gz URAKBDMFABJSGF-UHFFFAOYSA-N -1 3 347.223 3.506 20 0 EHADHM Cc1nc(-c2ccc(NC(=O)N(C)[C@H](C)C(C)C)cc2)cc(=O)[n-]1 ZINC000337941807 1138703542 /nfs/dbraw/zinc/70/35/42/1138703542.db2.gz ORJBRFPEQLUSBL-GFCCVEGCSA-N -1 3 328.416 3.666 20 0 EHADHM Cc1cccnc1[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C(C)C ZINC000265291252 1138798041 /nfs/dbraw/zinc/79/80/41/1138798041.db2.gz KOHFYTIUGCRYJB-SFHVURJKSA-N -1 3 335.407 3.771 20 0 EHADHM CC(C)c1nn(C)c2sc(C(=O)Nc3cc(F)ccc3[O-])cc12 ZINC000174892231 1139449355 /nfs/dbraw/zinc/44/93/55/1139449355.db2.gz KHNSLMUEESAQDQ-UHFFFAOYSA-N -1 3 333.388 3.855 20 0 EHADHM Fc1ccc(-c2ccc(C[N-]c3nnc([C@H]4CCCO4)o3)o2)cc1 ZINC000181799876 1139931459 /nfs/dbraw/zinc/93/14/59/1139931459.db2.gz KZKDMJNMXLZBNX-OAHLLOKOSA-N -1 3 329.331 3.932 20 0 EHADHM O=C([N-]OC[C@@H]1CCOC1)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000189227723 1140328616 /nfs/dbraw/zinc/32/86/16/1140328616.db2.gz IOECPYLENVFYFQ-OAHLLOKOSA-N -1 3 337.847 3.527 20 0 EHADHM COc1cccc(-c2nc(C(=O)[N-]c3ncc(C(C)C)s3)no2)c1 ZINC000268511676 1140949565 /nfs/dbraw/zinc/94/95/65/1140949565.db2.gz RLXTVQIURHHUCL-UHFFFAOYSA-N -1 3 344.396 3.577 20 0 EHADHM CCc1nc([C@H](C)[N-]C(=O)C(F)(F)c2ccccc2F)cs1 ZINC000270969231 1141288549 /nfs/dbraw/zinc/28/85/49/1141288549.db2.gz JBGCBKBMYUNXDI-VIFPVBQESA-N -1 3 328.359 3.814 20 0 EHADHM Cc1cc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)c(C)o1 ZINC000349009339 1141621827 /nfs/dbraw/zinc/62/18/27/1141621827.db2.gz RJOGLGJGWPRXCZ-UHFFFAOYSA-N -1 3 337.148 3.702 20 0 EHADHM O=C(Nc1ccc2oc(C3CC3)nc2c1)c1cc(-c2ccco2)[n-]n1 ZINC000123613423 201089429 /nfs/dbraw/zinc/08/94/29/201089429.db2.gz BJFUVBBJIMRDQJ-UHFFFAOYSA-N -1 3 334.335 3.941 20 0 EHADHM O=C(Nc1ccc2oc(C3CC3)nc2c1)c1cc(-c2ccco2)n[n-]1 ZINC000123613423 201089431 /nfs/dbraw/zinc/08/94/31/201089431.db2.gz BJFUVBBJIMRDQJ-UHFFFAOYSA-N -1 3 334.335 3.941 20 0 EHADHM CC1(C)C(c2cc(NC(=O)c3cc(C(F)(F)F)n[n-]3)n[nH]2)C1(C)C ZINC000622745016 480022551 /nfs/dbraw/zinc/02/25/51/480022551.db2.gz VUXUTZMLZJJBKH-UHFFFAOYSA-N -1 3 341.337 3.554 20 0 EHADHM CC1(C)C(c2cc(NC(=O)c3cc(C(F)(F)F)[n-]n3)n[nH]2)C1(C)C ZINC000622745016 480022559 /nfs/dbraw/zinc/02/25/59/480022559.db2.gz VUXUTZMLZJJBKH-UHFFFAOYSA-N -1 3 341.337 3.554 20 0 EHADHM O=C([N-]c1nnc(Cc2ccc(F)cc2)s1)c1ccc(Cl)cn1 ZINC000605464224 479648795 /nfs/dbraw/zinc/64/87/95/479648795.db2.gz YLIOVTHDBVATEU-UHFFFAOYSA-N -1 3 348.790 3.569 20 0 EHADHM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2ccc3ccccc3c2)n1 ZINC000737469616 598824784 /nfs/dbraw/zinc/82/47/84/598824784.db2.gz AIVYLPGHVGFLCH-UHFFFAOYSA-N -1 3 348.435 3.719 20 0 EHADHM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2ccc3ccccc3c2)n1 ZINC000737469616 598824786 /nfs/dbraw/zinc/82/47/86/598824786.db2.gz AIVYLPGHVGFLCH-UHFFFAOYSA-N -1 3 348.435 3.719 20 0 EHADHM c1ccc(-c2ccc(-c3nnn[n-]3)c(SCc3ccccn3)n2)cc1 ZINC000738421678 598902697 /nfs/dbraw/zinc/90/26/97/598902697.db2.gz STLZOGXIZBZYLV-UHFFFAOYSA-N -1 3 346.419 3.616 20 0 EHADHM c1ccc(-c2ccc(-c3nn[n-]n3)c(SCc3ccccn3)n2)cc1 ZINC000738421678 598902698 /nfs/dbraw/zinc/90/26/98/598902698.db2.gz STLZOGXIZBZYLV-UHFFFAOYSA-N -1 3 346.419 3.616 20 0 EHADHM Cc1cccc([C@@H](C)C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737389584 598909717 /nfs/dbraw/zinc/90/97/17/598909717.db2.gz PQRBKJLMYJPVJK-KGLIPLIRSA-N -1 3 336.395 3.583 20 0 EHADHM Cc1cccc([C@@H](C)C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737389584 598909718 /nfs/dbraw/zinc/90/97/18/598909718.db2.gz PQRBKJLMYJPVJK-KGLIPLIRSA-N -1 3 336.395 3.583 20 0 EHADHM CC(C)[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(F)cc1 ZINC000735734533 598935571 /nfs/dbraw/zinc/93/55/71/598935571.db2.gz NCZIVUXRZHGRQJ-CQSZACIVSA-N -1 3 346.797 3.863 20 0 EHADHM CC(C)[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(F)cc1 ZINC000735734533 598935574 /nfs/dbraw/zinc/93/55/74/598935574.db2.gz NCZIVUXRZHGRQJ-CQSZACIVSA-N -1 3 346.797 3.863 20 0 EHADHM FC(F)Sc1ccc(CNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737638038 599326830 /nfs/dbraw/zinc/32/68/30/599326830.db2.gz BFVJBNODKSGKNA-UHFFFAOYSA-N -1 3 333.367 3.794 20 0 EHADHM FC(F)Sc1ccc(CNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737638038 599326832 /nfs/dbraw/zinc/32/68/32/599326832.db2.gz BFVJBNODKSGKNA-UHFFFAOYSA-N -1 3 333.367 3.794 20 0 EHADHM C[C@@H]1CCC[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)[C@H]1C ZINC000736249799 599038163 /nfs/dbraw/zinc/03/81/63/599038163.db2.gz GDRNBVXZQOYJNJ-WCABBAIRSA-N -1 3 340.353 3.517 20 0 EHADHM C[C@@H]1CCC[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)[C@H]1C ZINC000736249799 599038166 /nfs/dbraw/zinc/03/81/66/599038166.db2.gz GDRNBVXZQOYJNJ-WCABBAIRSA-N -1 3 340.353 3.517 20 0 EHADHM Cc1ccc([C@H](C)Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000737320490 599046591 /nfs/dbraw/zinc/04/65/91/599046591.db2.gz LLKFYVAPKJTYGU-JTQLQIEISA-N -1 3 348.332 3.762 20 0 EHADHM Cc1ccc([C@H](C)Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000737320490 599046594 /nfs/dbraw/zinc/04/65/94/599046594.db2.gz LLKFYVAPKJTYGU-JTQLQIEISA-N -1 3 348.332 3.762 20 0 EHADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)Oc1cccc(F)c1 ZINC000820275262 599058920 /nfs/dbraw/zinc/05/89/20/599058920.db2.gz OKYXCHHCDYCMHG-JTQLQIEISA-N -1 3 347.781 3.539 20 0 EHADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)Oc1cccc(F)c1 ZINC000820275262 599058922 /nfs/dbraw/zinc/05/89/22/599058922.db2.gz OKYXCHHCDYCMHG-JTQLQIEISA-N -1 3 347.781 3.539 20 0 EHADHM C[C@@H]1C[C@@H](c2ccccc2)CN1c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736238366 599060288 /nfs/dbraw/zinc/06/02/88/599060288.db2.gz YVEWVJIFHKMEAU-TZMCWYRMSA-N -1 3 339.830 3.903 20 0 EHADHM C[C@@H]1C[C@@H](c2ccccc2)CN1c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736238366 599060291 /nfs/dbraw/zinc/06/02/91/599060291.db2.gz YVEWVJIFHKMEAU-TZMCWYRMSA-N -1 3 339.830 3.903 20 0 EHADHM Cc1ccc(OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)nc1 ZINC000737365995 599063941 /nfs/dbraw/zinc/06/39/41/599063941.db2.gz NGQKSJKLBDHTHO-UHFFFAOYSA-N -1 3 343.390 3.816 20 0 EHADHM Cc1ccc(OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)nc1 ZINC000737365995 599063943 /nfs/dbraw/zinc/06/39/43/599063943.db2.gz NGQKSJKLBDHTHO-UHFFFAOYSA-N -1 3 343.390 3.816 20 0 EHADHM CCCCC[C@H](C)CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821048365 599137493 /nfs/dbraw/zinc/13/74/93/599137493.db2.gz BNSLDNNQXKLVQJ-KBPBESRZSA-N -1 3 329.448 3.650 20 0 EHADHM CCCCC[C@H](C)CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821048365 599137496 /nfs/dbraw/zinc/13/74/96/599137496.db2.gz BNSLDNNQXKLVQJ-KBPBESRZSA-N -1 3 329.448 3.650 20 0 EHADHM O=C(CC1CCC1)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822940900 599147468 /nfs/dbraw/zinc/14/74/68/599147468.db2.gz JDKSWYFWGJKEJN-UHFFFAOYSA-N -1 3 349.394 3.788 20 0 EHADHM O=C(CC1CCC1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822940900 599147469 /nfs/dbraw/zinc/14/74/69/599147469.db2.gz JDKSWYFWGJKEJN-UHFFFAOYSA-N -1 3 349.394 3.788 20 0 EHADHM COc1ccc(C=Cc2ccc3cc(C)ccc3n2)cc1-c1nnn[n-]1 ZINC000737082780 599153855 /nfs/dbraw/zinc/15/38/55/599153855.db2.gz ZGMHQOZAZSQMMX-DAXSKMNVSA-N -1 3 343.390 3.902 20 0 EHADHM COc1ccc(C=Cc2ccc3cc(C)ccc3n2)cc1-c1nn[n-]n1 ZINC000737082780 599153857 /nfs/dbraw/zinc/15/38/57/599153857.db2.gz ZGMHQOZAZSQMMX-DAXSKMNVSA-N -1 3 343.390 3.902 20 0 EHADHM CC(C)(C)[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000735596056 599169815 /nfs/dbraw/zinc/16/98/15/599169815.db2.gz IIEJTDJXDTYBGG-LBPRGKRZSA-N -1 3 334.855 3.568 20 0 EHADHM CC(C)(C)[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000735596056 599169816 /nfs/dbraw/zinc/16/98/16/599169816.db2.gz IIEJTDJXDTYBGG-LBPRGKRZSA-N -1 3 334.855 3.568 20 0 EHADHM CCCCCC[C@@H](C)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736448258 599186190 /nfs/dbraw/zinc/18/61/90/599186190.db2.gz VZFBZUFFTJFXJO-GFCCVEGCSA-N -1 3 333.411 3.575 20 0 EHADHM CCCCCC[C@@H](C)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736448258 599186191 /nfs/dbraw/zinc/18/61/91/599186191.db2.gz VZFBZUFFTJFXJO-GFCCVEGCSA-N -1 3 333.411 3.575 20 0 EHADHM CCCC[C@@H](CC)CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736440021 599221955 /nfs/dbraw/zinc/22/19/55/599221955.db2.gz WZOXQXNCTRZZQG-UONOGXRCSA-N -1 3 329.448 3.650 20 0 EHADHM CCCC[C@@H](CC)CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736440021 599221957 /nfs/dbraw/zinc/22/19/57/599221957.db2.gz WZOXQXNCTRZZQG-UONOGXRCSA-N -1 3 329.448 3.650 20 0 EHADHM COc1cccc(CCCSCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821867630 599227147 /nfs/dbraw/zinc/22/71/47/599227147.db2.gz HBGRHLWBSAABCE-UHFFFAOYSA-N -1 3 340.452 3.741 20 0 EHADHM COc1cccc(CCCSCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821867630 599227149 /nfs/dbraw/zinc/22/71/49/599227149.db2.gz HBGRHLWBSAABCE-UHFFFAOYSA-N -1 3 340.452 3.741 20 0 EHADHM C[C@H](Nc1cccc(Br)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820460718 599363228 /nfs/dbraw/zinc/36/32/28/599363228.db2.gz AJBZOFYCIOXDCK-JTQLQIEISA-N -1 3 344.216 3.802 20 0 EHADHM C[C@H](Nc1cccc(Br)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820460718 599363231 /nfs/dbraw/zinc/36/32/31/599363231.db2.gz AJBZOFYCIOXDCK-JTQLQIEISA-N -1 3 344.216 3.802 20 0 EHADHM CCC[C@@]1(C)CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000821026744 607285544 /nfs/dbraw/zinc/28/55/44/607285544.db2.gz BBXHCWGOPYKUEY-SFHVURJKSA-N -1 3 342.447 3.609 20 0 EHADHM CCC[C@@]1(C)CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000821026744 607285545 /nfs/dbraw/zinc/28/55/45/607285545.db2.gz BBXHCWGOPYKUEY-SFHVURJKSA-N -1 3 342.447 3.609 20 0 EHADHM Cc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1C(F)(F)F ZINC000822255131 607310745 /nfs/dbraw/zinc/31/07/45/607310745.db2.gz WQGLUDSNSQKUPM-UHFFFAOYSA-N -1 3 339.346 3.868 20 0 EHADHM CCCOc1ccc(Cl)cc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000821134415 607312505 /nfs/dbraw/zinc/31/25/05/607312505.db2.gz TVCQKIQXPICWMN-UHFFFAOYSA-N -1 3 349.847 3.983 20 0 EHADHM CC(=O)Nc1ccc(S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735489209 599287004 /nfs/dbraw/zinc/28/70/04/599287004.db2.gz VNIDNKSLGUHHIG-NSHDSACASA-N -1 3 339.424 3.678 20 0 EHADHM CC(=O)Nc1ccc(S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735489209 599287006 /nfs/dbraw/zinc/28/70/06/599287006.db2.gz VNIDNKSLGUHHIG-NSHDSACASA-N -1 3 339.424 3.678 20 0 EHADHM Fc1cccc(N[C@H](c2ccccc2)c2ccccn2)c1-c1nnn[n-]1 ZINC000737661801 598235303 /nfs/dbraw/zinc/23/53/03/598235303.db2.gz QEMSEAVFNKGXPW-GOSISDBHSA-N -1 3 346.369 3.602 20 0 EHADHM Fc1cccc(N[C@H](c2ccccc2)c2ccccn2)c1-c1nn[n-]n1 ZINC000737661801 598235304 /nfs/dbraw/zinc/23/53/04/598235304.db2.gz QEMSEAVFNKGXPW-GOSISDBHSA-N -1 3 346.369 3.602 20 0 EHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1OC(F)F ZINC000736138699 598236878 /nfs/dbraw/zinc/23/68/78/598236878.db2.gz OFVOVPINMDOVFV-VIFPVBQESA-N -1 3 349.316 3.780 20 0 EHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1cccc(OC(F)F)c1 ZINC000736137268 598237601 /nfs/dbraw/zinc/23/76/01/598237601.db2.gz JHCYDQWWLJWTFP-VIFPVBQESA-N -1 3 349.316 3.780 20 0 EHADHM CC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000736403366 598276346 /nfs/dbraw/zinc/27/63/46/598276346.db2.gz USHCXIYPAQHHJU-JTQLQIEISA-N -1 3 325.338 3.512 20 0 EHADHM CC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000736403366 598276348 /nfs/dbraw/zinc/27/63/48/598276348.db2.gz USHCXIYPAQHHJU-JTQLQIEISA-N -1 3 325.338 3.512 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccccc1C(C)(C)C ZINC000822220164 607351385 /nfs/dbraw/zinc/35/13/85/607351385.db2.gz GJOMSFBBOGRFKI-UHFFFAOYSA-N -1 3 335.411 3.725 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccccc1C(C)(C)C ZINC000822220164 607351386 /nfs/dbraw/zinc/35/13/86/607351386.db2.gz GJOMSFBBOGRFKI-UHFFFAOYSA-N -1 3 335.411 3.725 20 0 EHADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1cccc(Cl)c1 ZINC000736139768 598386325 /nfs/dbraw/zinc/38/63/25/598386325.db2.gz XNLWDJKKLMMXOJ-MRVPVSSYSA-N -1 3 335.198 3.742 20 0 EHADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1cccc(Cl)c1 ZINC000736139768 598386327 /nfs/dbraw/zinc/38/63/27/598386327.db2.gz XNLWDJKKLMMXOJ-MRVPVSSYSA-N -1 3 335.198 3.742 20 0 EHADHM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736258913 598488114 /nfs/dbraw/zinc/48/81/14/598488114.db2.gz CQADZQZSMNBBLV-CHWSQXEVSA-N -1 3 344.463 3.578 20 0 EHADHM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736258913 598488115 /nfs/dbraw/zinc/48/81/15/598488115.db2.gz CQADZQZSMNBBLV-CHWSQXEVSA-N -1 3 344.463 3.578 20 0 EHADHM Cc1ccc(C)c(N(C(=O)c2sccc2-c2nnn[n-]2)C(C)C)c1 ZINC000737324018 598580071 /nfs/dbraw/zinc/58/00/71/598580071.db2.gz YBAICEGGTFPTCZ-UHFFFAOYSA-N -1 3 341.440 3.600 20 0 EHADHM Cc1ccc(C)c(N(C(=O)c2sccc2-c2nn[n-]n2)C(C)C)c1 ZINC000737324018 598580073 /nfs/dbraw/zinc/58/00/73/598580073.db2.gz YBAICEGGTFPTCZ-UHFFFAOYSA-N -1 3 341.440 3.600 20 0 EHADHM Fc1cc(-c2nnn[n-]2)ccc1CSc1ccnc2ccccc21 ZINC000737639441 598584845 /nfs/dbraw/zinc/58/48/45/598584845.db2.gz BFTVBFPEFWQKPT-UHFFFAOYSA-N -1 3 337.383 3.846 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1CSc1ccnc2ccccc21 ZINC000737639441 598584848 /nfs/dbraw/zinc/58/48/48/598584848.db2.gz BFTVBFPEFWQKPT-UHFFFAOYSA-N -1 3 337.383 3.846 20 0 EHADHM C[C@H]1CCCN(c2ccccc2OCc2ccccc2-c2nnn[n-]2)C1 ZINC000736279524 598616591 /nfs/dbraw/zinc/61/65/91/598616591.db2.gz YWPIZSLDDXBPLK-HNNXBMFYSA-N -1 3 349.438 3.682 20 0 EHADHM C[C@H]1CCCN(c2ccccc2OCc2ccccc2-c2nn[n-]n2)C1 ZINC000736279524 598616592 /nfs/dbraw/zinc/61/65/92/598616592.db2.gz YWPIZSLDDXBPLK-HNNXBMFYSA-N -1 3 349.438 3.682 20 0 EHADHM Fc1ccc2c(c1)[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)CCS2 ZINC000737665615 598814647 /nfs/dbraw/zinc/81/46/47/598814647.db2.gz HWVUNTRKNQZMQK-LBPRGKRZSA-N -1 3 345.378 3.794 20 0 EHADHM Fc1ccc2c(c1)[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)CCS2 ZINC000737665615 598814648 /nfs/dbraw/zinc/81/46/48/598814648.db2.gz HWVUNTRKNQZMQK-LBPRGKRZSA-N -1 3 345.378 3.794 20 0 EHADHM CCCN(c1ncccc1-c1nnn[n-]1)[C@@H](C)c1cc2ccccc2o1 ZINC000736479229 598815532 /nfs/dbraw/zinc/81/55/32/598815532.db2.gz FBDDNMBRTMMIGS-ZDUSSCGKSA-N -1 3 348.410 3.986 20 0 EHADHM CCCN(c1ncccc1-c1nn[n-]n1)[C@@H](C)c1cc2ccccc2o1 ZINC000736479229 598815533 /nfs/dbraw/zinc/81/55/33/598815533.db2.gz FBDDNMBRTMMIGS-ZDUSSCGKSA-N -1 3 348.410 3.986 20 0 EHADHM C[C@@H](S[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1nc(C2CC2)no1 ZINC000736187895 599325627 /nfs/dbraw/zinc/32/56/27/599325627.db2.gz CXIFTLAXSOIFBG-NXEZZACHSA-N -1 3 342.428 3.683 20 0 EHADHM C[C@@H](S[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1nc(C2CC2)no1 ZINC000736187895 599325629 /nfs/dbraw/zinc/32/56/29/599325629.db2.gz CXIFTLAXSOIFBG-NXEZZACHSA-N -1 3 342.428 3.683 20 0 EHADHM C[C@H](Nc1nnc(-c2ccccc2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820462217 599355023 /nfs/dbraw/zinc/35/50/23/599355023.db2.gz VWQRZMYFPYLNJW-NSHDSACASA-N -1 3 349.423 3.558 20 0 EHADHM C[C@H](Nc1nnc(-c2ccccc2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820462217 599355025 /nfs/dbraw/zinc/35/50/25/599355025.db2.gz VWQRZMYFPYLNJW-NSHDSACASA-N -1 3 349.423 3.558 20 0 EHADHM c1csc([C@@H]2CCCN2c2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000738451561 599398351 /nfs/dbraw/zinc/39/83/51/599398351.db2.gz IAZCGJSHOVRTCW-HNNXBMFYSA-N -1 3 348.435 3.818 20 0 EHADHM c1csc([C@@H]2CCCN2c2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000738451561 599398353 /nfs/dbraw/zinc/39/83/53/599398353.db2.gz IAZCGJSHOVRTCW-HNNXBMFYSA-N -1 3 348.435 3.818 20 0 EHADHM C[C@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccc(F)cc1 ZINC000736025523 599415829 /nfs/dbraw/zinc/41/58/29/599415829.db2.gz IAZGSEIASLQWRU-GFCCVEGCSA-N -1 3 348.385 3.770 20 0 EHADHM C[C@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccc(F)cc1 ZINC000736025523 599415832 /nfs/dbraw/zinc/41/58/32/599415832.db2.gz IAZGSEIASLQWRU-GFCCVEGCSA-N -1 3 348.385 3.770 20 0 EHADHM Fc1cccc2c1CC[C@H]2Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737662676 599417122 /nfs/dbraw/zinc/41/71/22/599417122.db2.gz CTDVFKVLVGQTKZ-QGZVFWFLSA-N -1 3 346.369 3.653 20 0 EHADHM Fc1cccc2c1CC[C@H]2Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737662676 599417123 /nfs/dbraw/zinc/41/71/23/599417123.db2.gz CTDVFKVLVGQTKZ-QGZVFWFLSA-N -1 3 346.369 3.653 20 0 EHADHM Clc1ccc(-c2nnn[n-]2)c(NCc2cccc3cccnc32)c1 ZINC000737570453 599420935 /nfs/dbraw/zinc/42/09/35/599420935.db2.gz HUHALNAWSFAFKE-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM Clc1ccc(-c2nn[n-]n2)c(NCc2cccc3cccnc32)c1 ZINC000737570453 599420938 /nfs/dbraw/zinc/42/09/38/599420938.db2.gz HUHALNAWSFAFKE-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM Cc1ccc2c(c1)[C@@H](Nc1cc(Cl)ccc1-c1nnn[n-]1)CC2 ZINC000737371493 599431575 /nfs/dbraw/zinc/43/15/75/599431575.db2.gz FCGUWWBADNCGFS-HNNXBMFYSA-N -1 3 325.803 3.928 20 0 EHADHM Cc1ccc2c(c1)[C@@H](Nc1cc(Cl)ccc1-c1nn[n-]n1)CC2 ZINC000737371493 599431577 /nfs/dbraw/zinc/43/15/77/599431577.db2.gz FCGUWWBADNCGFS-HNNXBMFYSA-N -1 3 325.803 3.928 20 0 EHADHM Fc1ccc2c(c1)[C@@H](Nc1c(Cl)cccc1-c1nnn[n-]1)CC2 ZINC000822786069 599542910 /nfs/dbraw/zinc/54/29/10/599542910.db2.gz CCOVQVHXMHJJMX-AWEZNQCLSA-N -1 3 329.766 3.759 20 0 EHADHM Fc1ccc2c(c1)[C@@H](Nc1c(Cl)cccc1-c1nn[n-]n1)CC2 ZINC000822786069 599542913 /nfs/dbraw/zinc/54/29/13/599542913.db2.gz CCOVQVHXMHJJMX-AWEZNQCLSA-N -1 3 329.766 3.759 20 0 EHADHM CCC(CC)(C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000440385719 599627729 /nfs/dbraw/zinc/62/77/29/599627729.db2.gz BTSFTSDRSTXFFY-UHFFFAOYSA-N -1 3 335.411 3.563 20 0 EHADHM CCC(CC)(C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000440385719 599627730 /nfs/dbraw/zinc/62/77/30/599627730.db2.gz BTSFTSDRSTXFFY-UHFFFAOYSA-N -1 3 335.411 3.563 20 0 EHADHM Cc1cc2cc(C(=O)Nc3sccc3-c3nnn[n-]3)oc2cc1C ZINC000822213199 599628919 /nfs/dbraw/zinc/62/89/19/599628919.db2.gz YRZNYBXSUBLUEK-UHFFFAOYSA-N -1 3 339.380 3.544 20 0 EHADHM Cc1cc2cc(C(=O)Nc3sccc3-c3nn[n-]n3)oc2cc1C ZINC000822213199 599628920 /nfs/dbraw/zinc/62/89/20/599628920.db2.gz YRZNYBXSUBLUEK-UHFFFAOYSA-N -1 3 339.380 3.544 20 0 EHADHM O=C(CCCC1CCCC1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000822955193 599628960 /nfs/dbraw/zinc/62/89/60/599628960.db2.gz LVCMOVFILJVXGG-UHFFFAOYSA-N -1 3 345.472 3.716 20 0 EHADHM O=C(CCCC1CCCC1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000822955193 599628961 /nfs/dbraw/zinc/62/89/61/599628961.db2.gz LVCMOVFILJVXGG-UHFFFAOYSA-N -1 3 345.472 3.716 20 0 EHADHM CSc1ccc(F)cc1CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821984352 599686843 /nfs/dbraw/zinc/68/68/43/599686843.db2.gz NUSJTLDJMUOICE-UHFFFAOYSA-N -1 3 349.822 3.993 20 0 EHADHM CSc1ccc(F)cc1CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821984352 599686844 /nfs/dbraw/zinc/68/68/44/599686844.db2.gz NUSJTLDJMUOICE-UHFFFAOYSA-N -1 3 349.822 3.993 20 0 EHADHM CC(C)CN(CCC(=O)[O-])Cc1cc(F)ccc1Br ZINC000736433008 599780428 /nfs/dbraw/zinc/78/04/28/599780428.db2.gz YRSDEUTYXPPLJQ-UHFFFAOYSA-N -1 3 332.213 3.521 20 0 EHADHM CC[C@](NCc1cc(Cl)nc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000736915037 600129547 /nfs/dbraw/zinc/12/95/47/600129547.db2.gz BJISQGIDNDOUHY-MRXNPFEDSA-N -1 3 339.222 3.868 20 0 EHADHM Cc1ccc([C@@H]2CSCCN2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000738581727 600218850 /nfs/dbraw/zinc/21/88/50/600218850.db2.gz DHYIORLZQCRDNP-SFHVURJKSA-N -1 3 327.449 3.983 20 0 EHADHM CC(=O)c1c(C)cc(C)c(CN2CCC3(C[C@H]3C(=O)[O-])CC2)c1C ZINC000566357263 600306890 /nfs/dbraw/zinc/30/68/90/600306890.db2.gz NNKSBXHBHCUPQT-KRWDZBQOSA-N -1 3 329.440 3.501 20 0 EHADHM O=C([O-])[C@H](NCc1ccc(OC(F)F)cc1)c1cccc(Cl)c1 ZINC000426735688 600416711 /nfs/dbraw/zinc/41/67/11/600416711.db2.gz UQGOLIACBGXOCG-CQSZACIVSA-N -1 3 341.741 3.857 20 0 EHADHM Cc1noc(C)c1CCN[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833019633 600748236 /nfs/dbraw/zinc/74/82/36/600748236.db2.gz AQEZLZJHAIVAOQ-CQSZACIVSA-N -1 3 343.210 3.556 20 0 EHADHM CCC1CCC(NCc2coc(-c3cccc(F)c3)n2)(C(=O)[O-])CC1 ZINC000829107867 601495497 /nfs/dbraw/zinc/49/54/97/601495497.db2.gz RMSHLSZIDNJNIA-UHFFFAOYSA-N -1 3 346.402 3.994 20 0 EHADHM O=C([O-])CC1(NCc2ncc(-c3ccc(F)cc3)o2)CCCCC1 ZINC000833206050 601554396 /nfs/dbraw/zinc/55/43/96/601554396.db2.gz WLKVQNUJVLVPCF-UHFFFAOYSA-N -1 3 332.375 3.748 20 0 EHADHM COc1ccc(CN(Cc2ccc(C(=O)[O-])c(F)c2)C2CC2)cc1 ZINC000579026436 601614529 /nfs/dbraw/zinc/61/45/29/601614529.db2.gz XUDMBINVXAREKQ-UHFFFAOYSA-N -1 3 329.371 3.697 20 0 EHADHM Cc1sc(C(=O)[O-])cc1CN1CCC(OCCC(C)C)CC1 ZINC000833031055 601620120 /nfs/dbraw/zinc/62/01/20/601620120.db2.gz DKLJJFQEAHHHSB-UHFFFAOYSA-N -1 3 325.474 3.782 20 0 EHADHM O=C([O-])c1ccc(CN(Cc2ccccc2)C[C@H]2CCCO2)cc1F ZINC000833315072 601621450 /nfs/dbraw/zinc/62/14/50/601621450.db2.gz PHCCHNFLYJRYCO-QGZVFWFLSA-N -1 3 343.398 3.705 20 0 EHADHM FC(F)(F)c1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826369069 607523629 /nfs/dbraw/zinc/52/36/29/607523629.db2.gz LLBRLDCJSNKGRC-UHFFFAOYSA-N -1 3 325.319 3.559 20 0 EHADHM Cc1ccc(-c2cc(CN3CCC(CCC(=O)[O-])CC3)on2)cc1 ZINC000324256640 601840051 /nfs/dbraw/zinc/84/00/51/601840051.db2.gz FXHQUJILHNJDMC-UHFFFAOYSA-N -1 3 328.412 3.727 20 0 EHADHM O=C([O-])c1ccc(CN2CCC([C@H](O)c3ccc(F)cc3)CC2)s1 ZINC000833315163 601954227 /nfs/dbraw/zinc/95/42/27/601954227.db2.gz SLYVXLPZFIBFKX-QGZVFWFLSA-N -1 3 349.427 3.531 20 0 EHADHM CCOC[C@@H]1CCCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000567510287 602041526 /nfs/dbraw/zinc/04/15/26/602041526.db2.gz YQJWKJIBVZCHSA-ABAIWWIYSA-N -1 3 346.254 3.868 20 0 EHADHM CCc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)cc1 ZINC000830237377 602163411 /nfs/dbraw/zinc/16/34/11/602163411.db2.gz JNDLVPOSKVRZCB-BFUOFWGJSA-N -1 3 343.423 3.743 20 0 EHADHM COc1cc(OC)cc([C@H](N[C@H](C)c2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000832049707 602163594 /nfs/dbraw/zinc/16/35/94/602163594.db2.gz KBBSMSWZOXUEJR-DIFFPNOSSA-N -1 3 349.814 3.834 20 0 EHADHM COc1cc(OC)cc([C@H](N[C@@H](C)c2cc(C)cc(C)c2)C(=O)[O-])c1 ZINC000832049054 602171379 /nfs/dbraw/zinc/17/13/79/602171379.db2.gz DUAFAPYJORWWNA-LIRRHRJNSA-N -1 3 343.423 3.797 20 0 EHADHM O=C([O-])c1ccc(CN2CCC[C@H]2CC(=O)c2ccccc2)cc1F ZINC000833093925 602240614 /nfs/dbraw/zinc/24/06/14/602240614.db2.gz MDDLLTLBLZSCKH-INIZCTEOSA-N -1 3 341.382 3.761 20 0 EHADHM C[C@@H](NC[C@H]1CCCN(C(=O)[O-])C1)c1nc(-c2ccccc2)cs1 ZINC000739032942 603275217 /nfs/dbraw/zinc/27/52/17/603275217.db2.gz GAQVJQWJKRYJBQ-ZIAGYGMSSA-N -1 3 345.468 3.851 20 0 EHADHM CN(C)Cc1ccccc1NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739615287 603275694 /nfs/dbraw/zinc/27/56/94/603275694.db2.gz PIEQSJDVVUBTQH-UHFFFAOYSA-N -1 3 347.802 3.744 20 0 EHADHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NCc1ccc(NC(=O)[O-])nc1 ZINC000828848769 603554943 /nfs/dbraw/zinc/55/49/43/603554943.db2.gz BDFIQNREOHIQDH-BZNIZROVSA-N -1 3 349.818 3.691 20 0 EHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc2ccccc2c1 ZINC000826249891 607644649 /nfs/dbraw/zinc/64/46/49/607644649.db2.gz ADLAANZYGWBCMC-UHFFFAOYSA-N -1 3 329.363 3.581 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc2ccccc2c1 ZINC000826249891 607644651 /nfs/dbraw/zinc/64/46/51/607644651.db2.gz ADLAANZYGWBCMC-UHFFFAOYSA-N -1 3 329.363 3.581 20 0 EHADHM CN(Cc1cc(-c2ccc(Cl)cc2)no1)C1CCN(C(=O)[O-])CC1 ZINC000828345820 603984878 /nfs/dbraw/zinc/98/48/78/603984878.db2.gz JHRCBHVHXUPEJI-UHFFFAOYSA-N -1 3 349.818 3.569 20 0 EHADHM CC(C)(CC(=O)[O-])NCc1csc(Cc2ccc(Cl)cc2)n1 ZINC000826538473 604444755 /nfs/dbraw/zinc/44/47/55/604444755.db2.gz TURRCTCWRNLWFB-UHFFFAOYSA-N -1 3 338.860 3.730 20 0 EHADHM CCCOc1c(Cl)cc(CN2CCC[C@@H]2C(=O)[O-])cc1OCC ZINC000263451588 604528175 /nfs/dbraw/zinc/52/81/75/604528175.db2.gz ZVNBWKNCIPQOIA-CQSZACIVSA-N -1 3 341.835 3.577 20 0 EHADHM C[C@H](c1nc(-c2ccccc2)no1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000652499894 604928322 /nfs/dbraw/zinc/92/83/22/604928322.db2.gz QYEPDEGLWJQLRV-HIFRSBDPSA-N -1 3 343.427 3.620 20 0 EHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cc(-c3cccs3)on2)C1 ZINC000321634851 604941206 /nfs/dbraw/zinc/94/12/06/604941206.db2.gz AXPGSSZDXZRUSS-GFCCVEGCSA-N -1 3 334.441 3.726 20 0 EHADHM C[C@@H](NCc1ccc([C@@H](C)NC(=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000825503172 605119015 /nfs/dbraw/zinc/11/90/15/605119015.db2.gz PKUMBTUTNVVFFR-CHWSQXEVSA-N -1 3 342.395 3.595 20 0 EHADHM CC(C)C[C@@H](C)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000824229074 607763215 /nfs/dbraw/zinc/76/32/15/607763215.db2.gz NHRUGBRNDCWOMS-CQSZACIVSA-N -1 3 349.438 3.698 20 0 EHADHM CC(C)C[C@@H](C)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000824229074 607763216 /nfs/dbraw/zinc/76/32/16/607763216.db2.gz NHRUGBRNDCWOMS-CQSZACIVSA-N -1 3 349.438 3.698 20 0 EHADHM O=C([O-])N(CC1CC1)C1CCN(Cc2ccnc3ccccc23)CC1 ZINC000834062171 605612831 /nfs/dbraw/zinc/61/28/31/605612831.db2.gz GGTHADWLJKTVDW-UHFFFAOYSA-N -1 3 339.439 3.589 20 0 EHADHM C[C@H]1C[C@@H]1c1ccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)o1 ZINC000820675134 606049918 /nfs/dbraw/zinc/04/99/18/606049918.db2.gz HZBVUDUMUZTVFA-FZMZJTMJSA-N -1 3 346.394 3.743 20 0 EHADHM C[C@H]1C[C@@H]1c1ccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)o1 ZINC000820675134 606049924 /nfs/dbraw/zinc/04/99/24/606049924.db2.gz HZBVUDUMUZTVFA-FZMZJTMJSA-N -1 3 346.394 3.743 20 0 EHADHM Cc1nccc(Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000822471600 606241782 /nfs/dbraw/zinc/24/17/82/606241782.db2.gz FISXVBUKQHQWFJ-UHFFFAOYSA-N -1 3 346.350 3.550 20 0 EHADHM Cc1nccc(Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000822471600 606241784 /nfs/dbraw/zinc/24/17/84/606241784.db2.gz FISXVBUKQHQWFJ-UHFFFAOYSA-N -1 3 346.350 3.550 20 0 EHADHM c1coc(-c2nc(CSc3cccc(-c4nnn[n-]4)c3)cs2)c1 ZINC000823762209 606328212 /nfs/dbraw/zinc/32/82/12/606328212.db2.gz MOGPOMDKEUDDKZ-UHFFFAOYSA-N -1 3 341.421 3.876 20 0 EHADHM c1coc(-c2nc(CSc3cccc(-c4nn[n-]n4)c3)cs2)c1 ZINC000823762209 606328214 /nfs/dbraw/zinc/32/82/14/606328214.db2.gz MOGPOMDKEUDDKZ-UHFFFAOYSA-N -1 3 341.421 3.876 20 0 EHADHM C[C@H](OC(=O)C[C@H]1CCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488354 606342085 /nfs/dbraw/zinc/34/20/85/606342085.db2.gz MYFUKZQKUNRZCQ-SUMWQHHRSA-N -1 3 348.406 3.591 20 0 EHADHM C[C@H](OC(=O)C[C@H]1CCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488354 606342087 /nfs/dbraw/zinc/34/20/87/606342087.db2.gz MYFUKZQKUNRZCQ-SUMWQHHRSA-N -1 3 348.406 3.591 20 0 EHADHM C[C@@H](OC(=O)c1ccc(Cl)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513158 606344405 /nfs/dbraw/zinc/34/44/05/606344405.db2.gz VXXHHIWIJLXKCZ-SECBINFHSA-N -1 3 346.749 3.577 20 0 EHADHM C[C@@H](OC(=O)c1ccc(Cl)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513158 606344407 /nfs/dbraw/zinc/34/44/07/606344407.db2.gz VXXHHIWIJLXKCZ-SECBINFHSA-N -1 3 346.749 3.577 20 0 EHADHM C[C@@H]1c2ccsc2CCN1c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000820826145 606442767 /nfs/dbraw/zinc/44/27/67/606442767.db2.gz JWLWDTVGKBJYMS-LLVKDONJSA-N -1 3 348.435 3.600 20 0 EHADHM C[C@@H]1c2ccsc2CCN1c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000820826145 606442768 /nfs/dbraw/zinc/44/27/68/606442768.db2.gz JWLWDTVGKBJYMS-LLVKDONJSA-N -1 3 348.435 3.600 20 0 EHADHM Cc1ccc([C@@H]2[C@H](C)CCCN2c2ncccc2-c2nnn[n-]2)cc1 ZINC000822232196 606475880 /nfs/dbraw/zinc/47/58/80/606475880.db2.gz WNOHYNCXJNPMDY-PBHICJAKSA-N -1 3 334.427 3.548 20 0 EHADHM Cc1ccc([C@@H]2[C@H](C)CCCN2c2ncccc2-c2nn[n-]n2)cc1 ZINC000822232196 606475881 /nfs/dbraw/zinc/47/58/81/606475881.db2.gz WNOHYNCXJNPMDY-PBHICJAKSA-N -1 3 334.427 3.548 20 0 EHADHM Fc1cccc(NC[C@H]2CCC[C@@H](C(F)(F)F)C2)c1-c1nnn[n-]1 ZINC000822792175 606596148 /nfs/dbraw/zinc/59/61/48/606596148.db2.gz QDSIUEAXAOXDTA-VHSXEESVSA-N -1 3 343.328 3.786 20 0 EHADHM Fc1cccc(NC[C@H]2CCC[C@@H](C(F)(F)F)C2)c1-c1nn[n-]n1 ZINC000822792175 606596150 /nfs/dbraw/zinc/59/61/50/606596150.db2.gz QDSIUEAXAOXDTA-VHSXEESVSA-N -1 3 343.328 3.786 20 0 EHADHM Cc1ccc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1C ZINC000822254776 606597123 /nfs/dbraw/zinc/59/71/23/606597123.db2.gz QYRHXGGJRWDQET-UHFFFAOYSA-N -1 3 345.353 3.697 20 0 EHADHM Cc1ccc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1C ZINC000822254776 606597124 /nfs/dbraw/zinc/59/71/24/606597124.db2.gz QYRHXGGJRWDQET-UHFFFAOYSA-N -1 3 345.353 3.697 20 0 EHADHM CC1(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)CCC1 ZINC000820576964 606631205 /nfs/dbraw/zinc/63/12/05/606631205.db2.gz DZUFFZUEQZDPOD-UHFFFAOYSA-N -1 3 349.394 3.788 20 0 EHADHM CC1(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)CCC1 ZINC000820576964 606631206 /nfs/dbraw/zinc/63/12/06/606631206.db2.gz DZUFFZUEQZDPOD-UHFFFAOYSA-N -1 3 349.394 3.788 20 0 EHADHM Fc1ccccc1[C@H](Nc1ncccc1-c1nnn[n-]1)C1CCCC1 ZINC000822792190 606734023 /nfs/dbraw/zinc/73/40/23/606734023.db2.gz QOPKBXLNWBTJDF-MRXNPFEDSA-N -1 3 338.390 3.744 20 0 EHADHM Fc1ccccc1[C@H](Nc1ncccc1-c1nn[n-]n1)C1CCCC1 ZINC000822792190 606734025 /nfs/dbraw/zinc/73/40/25/606734025.db2.gz QOPKBXLNWBTJDF-MRXNPFEDSA-N -1 3 338.390 3.744 20 0 EHADHM Fc1ccccc1[C@H](NCc1ccc(-c2nnn[n-]2)o1)C1CCCC1 ZINC000822791231 606734139 /nfs/dbraw/zinc/73/41/39/606734139.db2.gz FSHWWRFEQVJGJX-QGZVFWFLSA-N -1 3 341.390 3.620 20 0 EHADHM CC(C)(C)c1cnc(SCc2ccc(F)c(-c3nnn[n-]3)c2)o1 ZINC000819965641 606785869 /nfs/dbraw/zinc/78/58/69/606785869.db2.gz LCSXYGIERRQLCG-UHFFFAOYSA-N -1 3 333.392 3.584 20 0 EHADHM CC(C)(C)c1cnc(SCc2ccc(F)c(-c3nn[n-]n3)c2)o1 ZINC000819965641 606785870 /nfs/dbraw/zinc/78/58/70/606785870.db2.gz LCSXYGIERRQLCG-UHFFFAOYSA-N -1 3 333.392 3.584 20 0 EHADHM Cc1ccc(OC(F)F)c(CNc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822263083 606799779 /nfs/dbraw/zinc/79/97/79/606799779.db2.gz JJEKZHYBPOBUCS-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM C[C@H](OC(=O)c1cccc(Cl)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513409 606924284 /nfs/dbraw/zinc/92/42/84/606924284.db2.gz ZGRRUTOZJMRNCG-VIFPVBQESA-N -1 3 346.749 3.577 20 0 EHADHM C[C@H](OC(=O)c1cccc(Cl)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513409 606924286 /nfs/dbraw/zinc/92/42/86/606924286.db2.gz ZGRRUTOZJMRNCG-VIFPVBQESA-N -1 3 346.749 3.577 20 0 EHADHM C[C@H]1c2ccccc2CN1c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000820827012 606940885 /nfs/dbraw/zinc/94/08/85/606940885.db2.gz PXDRYDICIGYHJN-JTQLQIEISA-N -1 3 345.328 3.967 20 0 EHADHM C[C@H]1c2ccccc2CN1c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000820827012 606940888 /nfs/dbraw/zinc/94/08/88/606940888.db2.gz PXDRYDICIGYHJN-JTQLQIEISA-N -1 3 345.328 3.967 20 0 EHADHM CN(C(=O)CCCC1CCCC1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569848 606960845 /nfs/dbraw/zinc/96/08/45/606960845.db2.gz YCCMJUROPZWYHI-UHFFFAOYSA-N -1 3 347.850 3.843 20 0 EHADHM CN(C(=O)CCCC1CCCC1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569848 606960847 /nfs/dbraw/zinc/96/08/47/606960847.db2.gz YCCMJUROPZWYHI-UHFFFAOYSA-N -1 3 347.850 3.843 20 0 EHADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)s1 ZINC000823070884 607011146 /nfs/dbraw/zinc/01/11/46/607011146.db2.gz TVESQYWIWQJRLX-UHFFFAOYSA-N -1 3 336.829 3.557 20 0 EHADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)s1 ZINC000823070884 607011148 /nfs/dbraw/zinc/01/11/48/607011148.db2.gz TVESQYWIWQJRLX-UHFFFAOYSA-N -1 3 336.829 3.557 20 0 EHADHM CCC(=CC(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1)CC ZINC000820832262 607032765 /nfs/dbraw/zinc/03/27/65/607032765.db2.gz ISLBEZRSSLLRDO-CYBMUJFWSA-N -1 3 327.432 3.523 20 0 EHADHM CCC(=CC(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1)CC ZINC000820832262 607032767 /nfs/dbraw/zinc/03/27/67/607032767.db2.gz ISLBEZRSSLLRDO-CYBMUJFWSA-N -1 3 327.432 3.523 20 0 EHADHM CCC(=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)CC ZINC000820833035 607092931 /nfs/dbraw/zinc/09/29/31/607092931.db2.gz QTMMWFKBWVRCHQ-UHFFFAOYSA-N -1 3 339.321 3.570 20 0 EHADHM CCC(=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)CC ZINC000820833035 607092932 /nfs/dbraw/zinc/09/29/32/607092932.db2.gz QTMMWFKBWVRCHQ-UHFFFAOYSA-N -1 3 339.321 3.570 20 0 EHADHM C[C@@H]1CCC[C@H](CC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820699154 607189813 /nfs/dbraw/zinc/18/98/13/607189813.db2.gz XVTBQKKEVHVOIW-MNOVXSKESA-N -1 3 333.823 3.675 20 0 EHADHM C[C@@H]1CCC[C@H](CC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820699154 607189814 /nfs/dbraw/zinc/18/98/14/607189814.db2.gz XVTBQKKEVHVOIW-MNOVXSKESA-N -1 3 333.823 3.675 20 0 EHADHM C[C@H]1CCC[C@@H](N(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820697572 607197262 /nfs/dbraw/zinc/19/72/62/607197262.db2.gz JDORHYVQQDYRPB-CMPLNLGQSA-N -1 3 348.838 3.563 20 0 EHADHM C[C@H]1CCC[C@@H](N(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820697572 607197263 /nfs/dbraw/zinc/19/72/63/607197263.db2.gz JDORHYVQQDYRPB-CMPLNLGQSA-N -1 3 348.838 3.563 20 0 EHADHM CCN(C(=O)CC/C=C\c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371574 607797358 /nfs/dbraw/zinc/79/73/58/607797358.db2.gz ITCTYGMDCYLEPK-POHAHGRESA-N -1 3 347.422 3.713 20 0 EHADHM CCN(C(=O)CC/C=C\c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371574 607797359 /nfs/dbraw/zinc/79/73/59/607797359.db2.gz ITCTYGMDCYLEPK-POHAHGRESA-N -1 3 347.422 3.713 20 0 EHADHM CCc1ccc([C@H](C)C(=O)N(CC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825704434 607800321 /nfs/dbraw/zinc/80/03/21/607800321.db2.gz IBLWQBIJEBQBPK-AWEZNQCLSA-N -1 3 349.438 3.586 20 0 EHADHM CCc1ccc([C@H](C)C(=O)N(CC)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825704434 607800322 /nfs/dbraw/zinc/80/03/22/607800322.db2.gz IBLWQBIJEBQBPK-AWEZNQCLSA-N -1 3 349.438 3.586 20 0 EHADHM C[C@@H](OC(=O)CCCSC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824712887 607830367 /nfs/dbraw/zinc/83/03/67/607830367.db2.gz DVXQPLARQGPVQA-GFCCVEGCSA-N -1 3 348.472 3.783 20 0 EHADHM C[C@@H](OC(=O)CCCSC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824712887 607830368 /nfs/dbraw/zinc/83/03/68/607830368.db2.gz DVXQPLARQGPVQA-GFCCVEGCSA-N -1 3 348.472 3.783 20 0 EHADHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cc(C)ccc1OC ZINC000825352457 607974902 /nfs/dbraw/zinc/97/49/02/607974902.db2.gz NXRNRXBMAKLCMG-UHFFFAOYSA-N -1 3 348.410 3.610 20 0 EHADHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cc(C)ccc1OC ZINC000825352457 607974903 /nfs/dbraw/zinc/97/49/03/607974903.db2.gz NXRNRXBMAKLCMG-UHFFFAOYSA-N -1 3 348.410 3.610 20 0 EHADHM CSc1c(F)cc(NCc2cc(-c3nnn[n-]3)cs2)cc1F ZINC000826229677 608135095 /nfs/dbraw/zinc/13/50/95/608135095.db2.gz MXPBBMSQYRNFBY-UHFFFAOYSA-N -1 3 339.396 3.540 20 0 EHADHM CSc1c(F)cc(NCc2cc(-c3nn[n-]n3)cs2)cc1F ZINC000826229677 608135096 /nfs/dbraw/zinc/13/50/96/608135096.db2.gz MXPBBMSQYRNFBY-UHFFFAOYSA-N -1 3 339.396 3.540 20 0 EHADHM C[C@H](OC(=O)c1sccc1C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824730347 608183564 /nfs/dbraw/zinc/18/35/64/608183564.db2.gz MTYQQXCBXNSFEL-JTQLQIEISA-N -1 3 340.408 3.724 20 0 EHADHM C[C@H](OC(=O)c1sccc1C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824730347 608183566 /nfs/dbraw/zinc/18/35/66/608183566.db2.gz MTYQQXCBXNSFEL-JTQLQIEISA-N -1 3 340.408 3.724 20 0 EHADHM C[C@@H](Nc1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc(F)c1F ZINC000824650603 608304341 /nfs/dbraw/zinc/30/43/41/608304341.db2.gz SSBBROVIGNVOHU-SSDOTTSWSA-N -1 3 337.280 3.596 20 0 EHADHM C[C@@H](Nc1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc(F)c1F ZINC000824650603 608304342 /nfs/dbraw/zinc/30/43/42/608304342.db2.gz SSBBROVIGNVOHU-SSDOTTSWSA-N -1 3 337.280 3.596 20 0 EHADHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc2ccccc2c1 ZINC000826170559 608319660 /nfs/dbraw/zinc/31/96/60/608319660.db2.gz FQLJJJFLGONQAC-UHFFFAOYSA-N -1 3 331.379 3.641 20 0 EHADHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc2ccccc2c1 ZINC000826170559 608319661 /nfs/dbraw/zinc/31/96/61/608319661.db2.gz FQLJJJFLGONQAC-UHFFFAOYSA-N -1 3 331.379 3.641 20 0 EHADHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N(C)Cc1cc(Cl)ccc1F ZINC000824764193 608523582 /nfs/dbraw/zinc/52/35/82/608523582.db2.gz UEYRPNGQBKZBPT-NSHDSACASA-N -1 3 345.809 3.852 20 0 EHADHM C[C@H](c1ccccc1Cl)N(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC000824770141 608523733 /nfs/dbraw/zinc/52/37/33/608523733.db2.gz FLNKYMWTDPIROU-SNVBAGLBSA-N -1 3 333.848 3.775 20 0 EHADHM C[C@H](c1ccccc1Cl)N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC000824770141 608523735 /nfs/dbraw/zinc/52/37/35/608523735.db2.gz FLNKYMWTDPIROU-SNVBAGLBSA-N -1 3 333.848 3.775 20 0 EHADHM C[C@@H]1CCN(Cc2cccc(-c3nnn[n-]3)c2F)[C@@H](c2ccco2)C1 ZINC000824963048 608650152 /nfs/dbraw/zinc/65/01/52/608650152.db2.gz ZBMPNICYEIQUMS-IUODEOHRSA-N -1 3 341.390 3.572 20 0 EHADHM C[C@H](N[C@H]1CSc2ccccc21)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824553461 609143901 /nfs/dbraw/zinc/14/39/01/609143901.db2.gz BQWSVDFGBVHXPB-BONVTDFDSA-N -1 3 341.415 3.503 20 0 EHADHM c1c2c(nn1C1CCCC1)[C@@H](Nc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000826514187 609172630 /nfs/dbraw/zinc/17/26/30/609172630.db2.gz JTHZQAWRWCVORH-KRWDZBQOSA-N -1 3 349.442 3.668 20 0 EHADHM COc1c(Cl)cccc1N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826167007 609247537 /nfs/dbraw/zinc/24/75/37/609247537.db2.gz LWZTWTMEHILKHV-SNVBAGLBSA-N -1 3 329.791 3.702 20 0 EHADHM COc1c(Cl)cccc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826167007 609247540 /nfs/dbraw/zinc/24/75/40/609247540.db2.gz LWZTWTMEHILKHV-SNVBAGLBSA-N -1 3 329.791 3.702 20 0 EHADHM CC(C)Oc1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000824328920 609254121 /nfs/dbraw/zinc/25/41/21/609254121.db2.gz DOAHZURHKDOSQR-LBPRGKRZSA-N -1 3 341.390 3.966 20 0 EHADHM CC(C)Oc1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000824328920 609254123 /nfs/dbraw/zinc/25/41/23/609254123.db2.gz DOAHZURHKDOSQR-LBPRGKRZSA-N -1 3 341.390 3.966 20 0 EHADHM C[C@@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F)c1cc(F)ccc1F ZINC000824531026 609323974 /nfs/dbraw/zinc/32/39/74/609323974.db2.gz OBKKIEDNUGXFOL-VHSXEESVSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F)c1cc(F)ccc1F ZINC000824531026 609323976 /nfs/dbraw/zinc/32/39/76/609323976.db2.gz OBKKIEDNUGXFOL-VHSXEESVSA-N -1 3 347.344 3.696 20 0 EHADHM Fc1c(CNc2csc3ccccc23)cccc1-c1nnn[n-]1 ZINC000826371241 609481566 /nfs/dbraw/zinc/48/15/66/609481566.db2.gz YALHCGKIXOPACS-UHFFFAOYSA-N -1 3 325.372 3.833 20 0 EHADHM Fc1c(CNc2csc3ccccc23)cccc1-c1nn[n-]n1 ZINC000826371241 609481567 /nfs/dbraw/zinc/48/15/67/609481567.db2.gz YALHCGKIXOPACS-UHFFFAOYSA-N -1 3 325.372 3.833 20 0 EHADHM CCC(C)=C(C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000825050915 609507533 /nfs/dbraw/zinc/50/75/33/609507533.db2.gz LQRUOGIKURXOQT-HNLKAFMCSA-N -1 3 345.472 3.738 20 0 EHADHM CC/C(C)=C(\C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000825050915 609507534 /nfs/dbraw/zinc/50/75/34/609507534.db2.gz LQRUOGIKURXOQT-HNLKAFMCSA-N -1 3 345.472 3.738 20 0 EHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)s1 ZINC000825693943 609532707 /nfs/dbraw/zinc/53/27/07/609532707.db2.gz HWPMWJQPEGFDCX-URLYPYJESA-N -1 3 333.461 3.501 20 0 EHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)s1 ZINC000825693943 609532709 /nfs/dbraw/zinc/53/27/09/609532709.db2.gz HWPMWJQPEGFDCX-URLYPYJESA-N -1 3 333.461 3.501 20 0 EHADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824910217 609576324 /nfs/dbraw/zinc/57/63/24/609576324.db2.gz WJRQJHYIOXMNCS-BDAKNGLRSA-N -1 3 345.756 3.687 20 0 EHADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824910217 609576326 /nfs/dbraw/zinc/57/63/26/609576326.db2.gz WJRQJHYIOXMNCS-BDAKNGLRSA-N -1 3 345.756 3.687 20 0 EHADHM CC(C)c1nc([C@@H](C)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000824358204 946668213 /nfs/dbraw/zinc/66/82/13/946668213.db2.gz BRIYFPAWPJOGNL-NWDGAFQWSA-N -1 3 342.472 3.858 20 0 EHADHM C[C@H]1CC[C@@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)C1 ZINC000824906919 946986221 /nfs/dbraw/zinc/98/62/21/946986221.db2.gz FFKGIPAGKMERFA-WDEREUQCSA-N -1 3 345.472 3.572 20 0 EHADHM C[C@H]1CC[C@@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)C1 ZINC000824906919 946986224 /nfs/dbraw/zinc/98/62/24/946986224.db2.gz FFKGIPAGKMERFA-WDEREUQCSA-N -1 3 345.472 3.572 20 0 EHADHM CCc1cnccc1[C@@H](C)[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000825736223 947307757 /nfs/dbraw/zinc/30/77/57/947307757.db2.gz XXRTWJRVWYRQEA-RYUDHWBXSA-N -1 3 325.391 3.870 20 0 EHADHM CCc1cnccc1[C@@H](C)[C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000825736223 947307771 /nfs/dbraw/zinc/30/77/71/947307771.db2.gz XXRTWJRVWYRQEA-RYUDHWBXSA-N -1 3 325.391 3.870 20 0 EHADHM COc1ccc(CSc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826207943 947608230 /nfs/dbraw/zinc/60/82/30/947608230.db2.gz LJSNHKBHMLNXJQ-UHFFFAOYSA-N -1 3 332.816 3.821 20 0 EHADHM COc1ccc(CSc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826207943 947608238 /nfs/dbraw/zinc/60/82/38/947608238.db2.gz LJSNHKBHMLNXJQ-UHFFFAOYSA-N -1 3 332.816 3.821 20 0 EHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C1=C(c2ccccc2)CCCC1 ZINC001136072931 948472882 /nfs/dbraw/zinc/47/28/82/948472882.db2.gz LGWKKVHDTVMSDM-UHFFFAOYSA-N -1 3 345.406 3.833 20 0 EHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C1=C(c2ccccc2)CCCC1 ZINC001136072931 948472885 /nfs/dbraw/zinc/47/28/85/948472885.db2.gz LGWKKVHDTVMSDM-UHFFFAOYSA-N -1 3 345.406 3.833 20 0 EHADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)C(C)(C)CC2)C1CCC1 ZINC001573754358 948741850 /nfs/dbraw/zinc/74/18/50/948741850.db2.gz FKJCSTKVSSNKQR-VIFPVBQESA-N -1 3 345.472 3.527 20 0 EHADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)C(C)(C)CC2)C1CCC1 ZINC001573754358 948741859 /nfs/dbraw/zinc/74/18/59/948741859.db2.gz FKJCSTKVSSNKQR-VIFPVBQESA-N -1 3 345.472 3.527 20 0 EHADHM CC(C)[C@H]1CCc2ccccc2N1Cc1ccc(-c2nnn[n-]2)s1 ZINC001574098451 949157761 /nfs/dbraw/zinc/15/77/61/949157761.db2.gz AEQYNAGKGGAECP-OAHLLOKOSA-N -1 3 339.468 3.906 20 0 EHADHM CC(C)CC(CC(C)C)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574145483 949931356 /nfs/dbraw/zinc/93/13/56/949931356.db2.gz UIAKIQIPZIMDOA-UHFFFAOYSA-N -1 3 343.475 3.534 20 0 EHADHM CC(C)CC(CC(C)C)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574145483 949931368 /nfs/dbraw/zinc/93/13/68/949931368.db2.gz UIAKIQIPZIMDOA-UHFFFAOYSA-N -1 3 343.475 3.534 20 0 EHADHM C[C@@H](CC(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001574519124 950670216 /nfs/dbraw/zinc/67/02/16/950670216.db2.gz BEYSOXYXEMLLDF-ZDUSSCGKSA-N -1 3 347.422 3.876 20 0 EHADHM C[C@@H](CC(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001574519124 950670230 /nfs/dbraw/zinc/67/02/30/950670230.db2.gz BEYSOXYXEMLLDF-ZDUSSCGKSA-N -1 3 347.422 3.876 20 0 EHADHM C[C@@H](Cc1coc2ccccc12)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001575206001 952526359 /nfs/dbraw/zinc/52/63/59/952526359.db2.gz GBFOQTZKFJJPRP-NSHDSACASA-N -1 3 337.358 3.795 20 0 EHADHM C[C@@H](Cc1coc2ccccc12)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001575206001 952526363 /nfs/dbraw/zinc/52/63/63/952526363.db2.gz GBFOQTZKFJJPRP-NSHDSACASA-N -1 3 337.358 3.795 20 0 EHADHM C[C@@H](c1ccc(Br)cc1)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000521434878 953554021 /nfs/dbraw/zinc/55/40/21/953554021.db2.gz DDMGOVNJJQSFDN-UHIISALHSA-N -1 3 326.234 3.553 20 0 EHADHM CCn1cc(CNCc2ccccc2C(=O)[O-])c(-c2ccccc2)n1 ZINC001593664819 953822027 /nfs/dbraw/zinc/82/20/27/953822027.db2.gz BARADIKFAIUTGV-UHFFFAOYSA-N -1 3 335.407 3.558 20 0 EHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2ccsc2Br)C1 ZINC000388845337 972195066 /nfs/dbraw/zinc/19/50/66/972195066.db2.gz YOJVDQQQXIHZBH-NSHDSACASA-N -1 3 346.290 3.833 20 0 EHADHM O=C([O-])[C@@H]1CCCCCN1Cc1ccc(Cl)cc1Br ZINC000126822757 958604553 /nfs/dbraw/zinc/60/45/53/958604553.db2.gz UOYCZUYBEZJCBX-ZDUSSCGKSA-N -1 3 346.652 3.932 20 0 EHADHM C[C@@H](C(=O)[O-])N(Cc1cc(Br)c(Cl)s1)C1CC1 ZINC001588597807 959397088 /nfs/dbraw/zinc/39/70/88/959397088.db2.gz SQBXEXONDIIJNX-LURJTMIESA-N -1 3 338.654 3.602 20 0 EHADHM C[C@H](NCc1ccc(C(=O)[O-])s1)c1ccc(-n2cccn2)c(F)c1 ZINC001594240804 959532082 /nfs/dbraw/zinc/53/20/82/959532082.db2.gz CFMCYYFQHKVZDG-NSHDSACASA-N -1 3 345.399 3.622 20 0 EHADHM C[C@H](c1ccc(Br)cc1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000226419633 967702963 /nfs/dbraw/zinc/70/29/63/967702963.db2.gz QXZHQAHVGZSCRS-NEPJUHHUSA-N -1 3 326.234 3.697 20 0 EHADHM O=C([O-])C1CCN(c2ccc(CN3CC(C4CCCCC4)C3)o2)CC1 ZINC000904247127 969603955 /nfs/dbraw/zinc/60/39/55/969603955.db2.gz AERQBWHIFXZJIR-UHFFFAOYSA-N -1 3 346.471 3.593 20 0 EHADHM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)c1 ZINC000460831271 1032084083 /nfs/dbraw/zinc/08/40/83/1032084083.db2.gz UPWVLBRCBXMLQV-UHFFFAOYSA-N -1 3 331.437 3.936 20 0 EHADHM Cc1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1Br ZINC000426706833 974044662 /nfs/dbraw/zinc/04/46/62/974044662.db2.gz XKCCCGROAOIBJN-UHFFFAOYSA-N -1 3 334.213 3.746 20 0 EHADHM Cc1ccc(C(=O)C2CCN(Cc3ccccc3C(=O)[O-])CC2)cc1 ZINC000517575398 974318201 /nfs/dbraw/zinc/31/82/01/974318201.db2.gz DLQQRORGVCTYTN-UHFFFAOYSA-N -1 3 337.419 3.788 20 0 EHADHM Cc1oc(-c2ccccc2)nc1CN1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC000530174778 974363834 /nfs/dbraw/zinc/36/38/34/974363834.db2.gz ATHUQSJLQFLIJR-YWVIFJGQSA-N -1 3 328.412 3.724 20 0 EHADHM CC(C)(C)c1csc(CN2CC[C@@](C(=O)[O-])(c3ccccc3)C2)n1 ZINC000565110224 974572912 /nfs/dbraw/zinc/57/29/12/974572912.db2.gz CMUWDTMXDIZPEC-IBGZPJMESA-N -1 3 344.480 3.669 20 0 EHADHM Cc1oc(CN2CC[C@@H](CSc3ccccc3)C2)cc1C(=O)[O-] ZINC000566361605 974609377 /nfs/dbraw/zinc/60/93/77/974609377.db2.gz LDQFLBAEHMPNRU-CQSZACIVSA-N -1 3 331.437 3.900 20 0 EHADHM CC(C)c1cccc2c1CCN(CCOc1ccccc1C(=O)[O-])C2 ZINC000566743457 974621136 /nfs/dbraw/zinc/62/11/36/974621136.db2.gz NZSIMMVPZQBGQL-UHFFFAOYSA-N -1 3 339.435 3.945 20 0 EHADHM Cc1cc([C@H](C)N2CC[C@@]3(C2)CCc2ccccc2O3)oc1C(=O)[O-] ZINC000581955374 974918592 /nfs/dbraw/zinc/91/85/92/974918592.db2.gz FJDGMSCENFXFEB-VBKZILBWSA-N -1 3 341.407 3.817 20 0 EHADHM Cc1nc(C(F)(F)F)c(CN2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)s1 ZINC000629378753 975091829 /nfs/dbraw/zinc/09/18/29/975091829.db2.gz UXDRRKSGSURSRY-DCAQKATOSA-N -1 3 348.390 3.546 20 0 EHADHM COc1cc(CN[C@H](C(=O)[O-])c2cccs2)cc(C(F)(F)F)c1 ZINC000630453437 975264875 /nfs/dbraw/zinc/26/48/75/975264875.db2.gz ONRLYTCVJKRNAN-ZDUSSCGKSA-N -1 3 345.342 3.691 20 0 EHADHM CC(C)c1ccc2c(c1)CN(CCOc1ccccc1C(=O)[O-])CC2 ZINC000656758921 975685978 /nfs/dbraw/zinc/68/59/78/975685978.db2.gz PTNGKIJOWKVCIC-UHFFFAOYSA-N -1 3 339.435 3.945 20 0 EHADHM O=C([O-])[C@@H]1CCN(Cc2csc(-c3ccco3)n2)[C@@H]2CCCC[C@@H]12 ZINC000656763803 975695195 /nfs/dbraw/zinc/69/51/95/975695195.db2.gz ICOJEJPWBSFMIH-RRFJBIMHSA-N -1 3 346.452 3.868 20 0 EHADHM CC(C)c1ccc(CN2CC[C@]3(CC(C(=O)[O-])=NO3)C2)c(C(C)C)c1 ZINC001591954467 976526412 /nfs/dbraw/zinc/52/64/12/976526412.db2.gz VVQQDLZMOCUARR-FQEVSTJZSA-N -1 3 344.455 3.739 20 0 EHADHM C[C@](CC(=O)[O-])(NCc1ccccc1C(F)(F)F)c1ccncc1 ZINC001592328622 977748469 /nfs/dbraw/zinc/74/84/69/977748469.db2.gz NIPGTDSQYJCMKJ-MRXNPFEDSA-N -1 3 338.329 3.580 20 0 EHADHM CCC(CC)(CC(=O)[O-])NCc1nc(Cl)ccc1Br ZINC001595057033 979295713 /nfs/dbraw/zinc/29/57/13/979295713.db2.gz MSJXTMZFCUOOCS-UHFFFAOYSA-N -1 3 349.656 3.621 20 0 EHADHM CC[C@@H](CNCc1ccc(C(=O)[O-])cc1F)Oc1cccc(F)c1 ZINC001595168083 979726954 /nfs/dbraw/zinc/72/69/54/979726954.db2.gz PNJXSWYADCSMHT-HNNXBMFYSA-N -1 3 335.350 3.610 20 0 EHADHM CC1(C)CCc2onc(CN3CC[C@H](C(=O)[O-])[C@H]4CCCC[C@H]43)c2C1 ZINC000872161963 980051522 /nfs/dbraw/zinc/05/15/22/980051522.db2.gz IXHWEKFDONDHLQ-JKIFEVAISA-N -1 3 346.471 3.655 20 0 EHADHM O=C([O-])c1cc2n(n1)CCC[C@@H]2NCc1cccc(CC2CCC2)c1 ZINC000900074350 980247080 /nfs/dbraw/zinc/24/70/80/980247080.db2.gz SPGMWJVHBYNRNW-KRWDZBQOSA-N -1 3 339.439 3.549 20 0 EHADHM O=C([O-])c1ccc(NC[C@H](c2ccccc2Cl)N2CCCC2)nc1 ZINC000900985018 980256565 /nfs/dbraw/zinc/25/65/65/980256565.db2.gz DSNKCBYZQMOFJO-MRXNPFEDSA-N -1 3 345.830 3.682 20 0 EHADHM C[C@@H](N[C@@H](C)CC(C)(C)CC(=O)[O-])c1nc(-c2cccc(F)c2)no1 ZINC000901457624 980296382 /nfs/dbraw/zinc/29/63/82/980296382.db2.gz NVLGUBKAYLVLIZ-NWDGAFQWSA-N -1 3 349.406 3.806 20 0 EHADHM CC[C@@H](N[C@H](C(=O)[O-])c1ccsc1)c1ccc(OC)c(OC)c1 ZINC001595277238 980305557 /nfs/dbraw/zinc/30/55/57/980305557.db2.gz RYPGGPUVUGTAPM-CJNGLKHVSA-N -1 3 335.425 3.632 20 0 EHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cc(F)ccc2OC(F)F)C1 ZINC000901522487 980341376 /nfs/dbraw/zinc/34/13/76/980341376.db2.gz PHSUTENMYORUEV-GFCCVEGCSA-N -1 3 345.361 3.750 20 0 EHADHM CC[C@H](N[C@@H]1CCOc2c(OC)cccc21)c1ccc(C(=O)[O-])cc1 ZINC001595282519 980343022 /nfs/dbraw/zinc/34/30/22/980343022.db2.gz FYVCFUZVWWSXQP-DLBZAZTESA-N -1 3 341.407 3.958 20 0 EHADHM CC[C@@H]1CCCC[C@H]1CN1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC000901552021 980377024 /nfs/dbraw/zinc/37/70/24/980377024.db2.gz PDDTVUFGNPBRGH-CABCVRRESA-N -1 3 331.456 3.968 20 0 EHADHM COc1ccc(C[C@H](C)CN2Cc3ccc(C(=O)[O-])cc3C2)cc1F ZINC000901647306 980424924 /nfs/dbraw/zinc/42/49/24/980424924.db2.gz FLFGWJFIWGVKMP-ZDUSSCGKSA-N -1 3 343.398 3.727 20 0 EHADHM CC[C@@H](NCc1cccnc1N1CCCC1)c1ccc(C(=O)[O-])cc1 ZINC001595304877 980441165 /nfs/dbraw/zinc/44/11/65/980441165.db2.gz JUPQYBVHNUCIJG-GOSISDBHSA-N -1 3 339.439 3.621 20 0 EHADHM CC[C@H](NCc1ccnc(N2CCCC2)c1)c1ccc(C(=O)[O-])cc1 ZINC001595305309 980444367 /nfs/dbraw/zinc/44/43/67/980444367.db2.gz NJPHVFYZUAXUQV-SFHVURJKSA-N -1 3 339.439 3.621 20 0 EHADHM CC(C)(C)c1cnc(CN2CC[C@](C(=O)[O-])(c3ccccc3)C2)s1 ZINC000901831245 980550776 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CC1(C)CCC[C@](CO)(NC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC001167181625 1016500508 /nfs/dbraw/zinc/50/05/08/1016500508.db2.gz NMPKBHYXPYZARE-FQEVSTJZSA-N -1 3 327.424 3.607 20 0 EHADHM CCc1ccc([O-])c(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c1 ZINC000109813912 1016875456 /nfs/dbraw/zinc/87/54/56/1016875456.db2.gz ZDGLPHYIMKJWHJ-QGZVFWFLSA-N -1 3 341.407 3.765 20 0 EHADHM COc1cccc(-c2noc(C=C([O-])c3ccccc3Cl)n2)c1F ZINC001211647531 1016893090 /nfs/dbraw/zinc/89/30/90/1016893090.db2.gz UHGHEDMSNCHMOH-UHFFFAOYSA-N -1 3 346.745 3.963 20 0 EHADHM C[C@@H](CC(=O)Nc1cc(Br)ccc1[O-])c1cccnc1 ZINC000340314431 1016928510 /nfs/dbraw/zinc/92/85/10/1016928510.db2.gz BXMVQGMXGVLGNG-JTQLQIEISA-N -1 3 335.201 3.682 20 0 EHADHM CC(=O)c1ccc(CC(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000340314591 1016929104 /nfs/dbraw/zinc/92/91/04/1016929104.db2.gz IPKBQXYOVSSBKS-UHFFFAOYSA-N -1 3 348.196 3.539 20 0 EHADHM O=S(=O)(Cc1csc(-c2ccc(F)cc2)n1)c1cccc([O-])c1 ZINC000184001868 1032222440 /nfs/dbraw/zinc/22/24/40/1032222440.db2.gz 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338.713 3.939 20 0 EHADHM COc1cc2ccccc2cc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000606537267 1032743469 /nfs/dbraw/zinc/74/34/69/1032743469.db2.gz NNODIOVWNKYMTN-UHFFFAOYSA-N -1 3 325.339 3.623 20 0 EHADHM O=C(N[C@@H](c1ccccc1)C1CCOCC1)c1cc([O-])ccc1Cl ZINC000377948188 1018587418 /nfs/dbraw/zinc/58/74/18/1018587418.db2.gz RDVDPAPZLBDAIO-SFHVURJKSA-N -1 3 345.826 3.943 20 0 EHADHM Cc1ccccc1-c1cc(=NC(=O)C[C@H](C)C(=O)c2ccccc2)[nH][n-]1 ZINC000602324248 1032791406 /nfs/dbraw/zinc/79/14/06/1032791406.db2.gz CRCKBVWLFLBPMX-HNNXBMFYSA-N -1 3 347.418 3.655 20 0 EHADHM Cc1ccc(C(C)(C)CNC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000606670304 1032792806 /nfs/dbraw/zinc/79/28/06/1032792806.db2.gz APQDLJIMNXDPDX-UHFFFAOYSA-N -1 3 330.403 3.617 20 0 EHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccccc1N1CCCCCC1 ZINC000155650379 1018982281 /nfs/dbraw/zinc/98/22/81/1018982281.db2.gz HHEMSYOOFMZELB-KRWDZBQOSA-N -1 3 333.432 3.647 20 0 EHADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccccc1N1CCCCCC1 ZINC000155650379 1018982286 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O=C(O[C@@H](C(F)F)[C@@H]1CCCO1)c1cc2cc(Cl)sc2[n-]1 ZINC000810733836 1136001716 /nfs/dbraw/zinc/00/17/16/1136001716.db2.gz TUGPMKKRGYKTDF-WCBMZHEXSA-N -1 3 335.759 3.852 20 0 EHADHM O=C([N-]OCc1ccc(F)cc1)c1c(F)cc(C(F)(F)F)cc1F ZINC000811043200 1136039451 /nfs/dbraw/zinc/03/94/51/1136039451.db2.gz XTCFYAPSCYAFKN-UHFFFAOYSA-N -1 3 349.230 3.984 20 0 EHADHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(Oc2ccncc2)cc1 ZINC001201589375 1136043775 /nfs/dbraw/zinc/04/37/75/1136043775.db2.gz AZADUPUMWMMXME-UHFFFAOYSA-N -1 3 340.404 3.983 20 0 EHADHM O=C(Nc1c([O-])cccc1Br)N[C@@H]1C[C@H]1c1ccccc1 ZINC001201934456 1136073471 /nfs/dbraw/zinc/07/34/71/1136073471.db2.gz ZFPOPAVUNSNDQK-WCQYABFASA-N -1 3 347.212 3.832 20 0 EHADHM COc1ccc(Br)cc1COC(=O)c1ccc([O-])cc1 ZINC000007099270 1136191532 /nfs/dbraw/zinc/19/15/32/1136191532.db2.gz OVLCBGURPVCVRN-UHFFFAOYSA-N -1 3 337.169 3.520 20 0 EHADHM CSC(C)(C)C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000849987208 1136196782 /nfs/dbraw/zinc/19/67/82/1136196782.db2.gz 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Cc1cc(=O)oc2cc(N(C)C(=O)c3cc([O-])ccc3Cl)ccc12 ZINC000816662859 1136746442 /nfs/dbraw/zinc/74/64/42/1136746442.db2.gz AEVCZSPYGQRQKY-UHFFFAOYSA-N -1 3 343.766 3.737 20 0 EHADHM O=C(CCc1ncc(-c2ccccc2F)o1)[N-]Oc1ccccc1 ZINC000816684301 1136748435 /nfs/dbraw/zinc/74/84/35/1136748435.db2.gz VVSDJPIZSJJJBP-UHFFFAOYSA-N -1 3 326.327 3.524 20 0 EHADHM O=C(Nc1ncn(C2CCCCC2)n1)c1cc2sccc2c([O-])c1 ZINC000816968618 1136768517 /nfs/dbraw/zinc/76/85/17/1136768517.db2.gz HKBCHNLIEIHBCH-UHFFFAOYSA-N -1 3 342.424 3.956 20 0 EHADHM COc1ccc(NC(=O)c2ccc(N)cc2[O-])cc1OC1CCCC1 ZINC000817917801 1136845708 /nfs/dbraw/zinc/84/57/08/1136845708.db2.gz SQKYXJCNSXWRNR-UHFFFAOYSA-N -1 3 342.395 3.557 20 0 EHADHM Nc1ccc(C(=O)N(Cc2cc(F)ccc2F)C2CCCC2)c([O-])c1 ZINC000817957824 1136851505 /nfs/dbraw/zinc/85/15/05/1136851505.db2.gz FICZXBGULAFFBR-UHFFFAOYSA-N -1 3 346.377 3.838 20 0 EHADHM CC(C)(C)[C@@H](CO)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000857484219 1136876304 /nfs/dbraw/zinc/87/63/04/1136876304.db2.gz 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CC(=Cc1cccc(Cl)c1)C(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000824154163 1137126964 /nfs/dbraw/zinc/12/69/64/1137126964.db2.gz HXCXSMINFKPAOA-FLIBITNWSA-N -1 3 345.830 3.599 20 0 EHADHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC#N)cc2)cc1 ZINC000032083555 1137140832 /nfs/dbraw/zinc/14/08/32/1137140832.db2.gz YSMDAWJBALQSLP-UHFFFAOYSA-N -1 3 344.436 3.588 20 0 EHADHM O=C(c1cc2sccc2c([O-])c1)N1CCC[C@H]1[C@@H]1CCCOC1 ZINC000843927995 1137187468 /nfs/dbraw/zinc/18/74/68/1137187468.db2.gz PJSFMHLZCKXMAX-DOMZBBRYSA-N -1 3 331.437 3.638 20 0 EHADHM O=C([O-])c1cnc(C2CCN(Cc3ccc(CF)cc3)CC2)s1 ZINC000863473165 1137188234 /nfs/dbraw/zinc/18/82/34/1137188234.db2.gz BOHXJGGLXKWTNL-UHFFFAOYSA-N -1 3 334.416 3.690 20 0 EHADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@H]2[C@H](O)c2ccccc2)c1 ZINC001143991031 1137226053 /nfs/dbraw/zinc/22/60/53/1137226053.db2.gz PINWKBVFXPWTIY-AZUAARDMSA-N -1 3 339.435 3.683 20 0 EHADHM CC(C)N(CC(=O)[N-]OCc1ccccc1)[C@@H](C)c1ccccc1 ZINC000794690241 1137232254 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COc1cccc([O-])c1C(=O)NCCCc1ccc(C(C)C)cc1 ZINC001146290160 1137388499 /nfs/dbraw/zinc/38/84/99/1137388499.db2.gz DSPZAXMMVMAESC-UHFFFAOYSA-N -1 3 327.424 3.887 20 0 EHADHM CCc1cccc(C(=O)Nc2ccc(OC(F)F)c(OC)c2)c1[O-] ZINC001148195059 1137418867 /nfs/dbraw/zinc/41/88/67/1137418867.db2.gz SMASXKPAPDWSMI-UHFFFAOYSA-N -1 3 337.322 3.817 20 0 EHADHM COc1cc(OC)c(NC(=O)c2ccc([O-])c(C(C)=O)c2)cc1Cl ZINC001148656516 1137430662 /nfs/dbraw/zinc/43/06/62/1137430662.db2.gz VTGOBSPLBKVKGV-UHFFFAOYSA-N -1 3 349.770 3.518 20 0 EHADHM CC(=O)c1cc(C(=O)Nc2cc(OC(C)C)ccc2C)ccc1[O-] ZINC001148664125 1137431299 /nfs/dbraw/zinc/43/12/99/1137431299.db2.gz IKCHSLQJXBVVEH-UHFFFAOYSA-N -1 3 327.380 3.943 20 0 EHADHM O=C(NCCCc1ccc(Cl)cc1Cl)c1ccc(O)cc1[O-] ZINC001148989380 1137439178 /nfs/dbraw/zinc/43/91/78/1137439178.db2.gz XHKJMTSNHZSZAH-UHFFFAOYSA-N -1 3 340.206 3.767 20 0 EHADHM CC(=O)c1ccc(OCc2ccccc2)c(NC(=O)NC(C)C)c1[O-] ZINC001202528484 1137458357 /nfs/dbraw/zinc/45/83/57/1137458357.db2.gz KQMJZKGFKHIXIZ-UHFFFAOYSA-N -1 3 342.395 3.704 20 0 EHADHM Cc1cc(C)c2c(c1)N(Cc1cc(=O)[n-]c(-c3ccccc3)n1)CCO2 ZINC001171706809 1137505441 /nfs/dbraw/zinc/50/54/41/1137505441.db2.gz MEJAOUYWDKCSLO-UHFFFAOYSA-N -1 3 347.418 3.865 20 0 EHADHM CCc1cccc2c(CC(=O)[N-]OCCCC(F)(F)F)c[nH]c21 ZINC000871213236 1137527511 /nfs/dbraw/zinc/52/75/11/1137527511.db2.gz MZFAGZHVAAFYHF-UHFFFAOYSA-N -1 3 328.334 3.663 20 0 EHADHM O=C(CCc1cncc2ccccc21)[N-]OCCCC(F)(F)F ZINC000871215296 1137527933 /nfs/dbraw/zinc/52/79/33/1137527933.db2.gz XEGOMTOOQVIEFM-UHFFFAOYSA-N -1 3 326.318 3.558 20 0 EHADHM O=C(CCc1ccc(C(F)F)cc1)[N-]OCCCC(F)(F)F ZINC000871217773 1137528073 /nfs/dbraw/zinc/52/80/73/1137528073.db2.gz SGLKBCWCDWBLBD-UHFFFAOYSA-N -1 3 325.277 3.947 20 0 EHADHM C[C@]1(Cc2ccc(F)c(F)c2)CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000871249812 1137529103 /nfs/dbraw/zinc/52/91/03/1137529103.db2.gz DASYQLZTGMUJHA-LJQANCHMSA-N -1 3 347.361 3.613 20 0 EHADHM COc1ccc(C(=O)N2CCC[C@](F)(c3ccccc3)C2)c([O-])c1 ZINC000871374699 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CCSCc1cccc(NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821461001 607318360 /nfs/dbraw/zinc/31/83/60/607318360.db2.gz IQNWTVHNXPDHRQ-UHFFFAOYSA-N -1 3 325.441 3.732 20 0 EHADHM CC[C@@H](C)[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1ccccc1 ZINC000820859278 607321819 /nfs/dbraw/zinc/32/18/19/607321819.db2.gz CSAICTQNFJKNBH-ACJLOTCBSA-N -1 3 349.438 3.944 20 0 EHADHM CC[C@@H](C)[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1ccccc1 ZINC000820859278 607321820 /nfs/dbraw/zinc/32/18/20/607321820.db2.gz CSAICTQNFJKNBH-ACJLOTCBSA-N -1 3 349.438 3.944 20 0 EHADHM CC(C)n1ccc(CSc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000824371426 607844462 /nfs/dbraw/zinc/84/44/62/607844462.db2.gz FQUPJLCXUOUPBT-UHFFFAOYSA-N -1 3 334.836 3.590 20 0 EHADHM CC(C)n1ccc(CSc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000824371426 607844463 /nfs/dbraw/zinc/84/44/63/607844463.db2.gz FQUPJLCXUOUPBT-UHFFFAOYSA-N -1 3 334.836 3.590 20 0 EHADHM COc1ccc([C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C(C)C)cc1 ZINC000737075634 598235907 /nfs/dbraw/zinc/23/59/07/598235907.db2.gz NPCOCTOLZFEMRW-KRWDZBQOSA-N -1 3 341.390 3.824 20 0 EHADHM COc1ccc([C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C(C)C)cc1 ZINC000737075634 598235908 /nfs/dbraw/zinc/23/59/08/598235908.db2.gz NPCOCTOLZFEMRW-KRWDZBQOSA-N -1 3 341.390 3.824 20 0 EHADHM Fc1ccccc1CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000737669019 598274687 /nfs/dbraw/zinc/27/46/87/598274687.db2.gz IIQDPXUIQLENEH-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM CCN(C(=O)C1CCCCCC1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502707 598295375 /nfs/dbraw/zinc/29/53/75/598295375.db2.gz PTHKQBWOBNRLGK-CQSZACIVSA-N -1 3 341.459 3.747 20 0 EHADHM CCN(C(=O)C1CCCCCC1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502707 598295377 /nfs/dbraw/zinc/29/53/77/598295377.db2.gz PTHKQBWOBNRLGK-CQSZACIVSA-N -1 3 341.459 3.747 20 0 EHADHM CCCCCC[C@H](C)CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736447140 598297375 /nfs/dbraw/zinc/29/73/75/598297375.db2.gz QZWOKKMVELSZOJ-ZDUSSCGKSA-N -1 3 347.438 3.619 20 0 EHADHM CCCCCC[C@H](C)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736447140 598297376 /nfs/dbraw/zinc/29/73/76/598297376.db2.gz QZWOKKMVELSZOJ-ZDUSSCGKSA-N -1 3 347.438 3.619 20 0 EHADHM CCCCc1nc(COc2ccc(-c3nn[n-]n3)cc2C)cs1 ZINC000736467113 598394527 /nfs/dbraw/zinc/39/45/27/598394527.db2.gz VDCOTMUPDSWELH-UHFFFAOYSA-N -1 3 329.429 3.553 20 0 EHADHM CCN(C(=O)C[C@H](C)CC(C)C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502192 598494592 /nfs/dbraw/zinc/49/45/92/598494592.db2.gz LGWFLJIWSSDSHI-CABCVRRESA-N -1 3 343.475 3.849 20 0 EHADHM CCN(C(=O)C[C@H](C)CC(C)C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502192 598494593 /nfs/dbraw/zinc/49/45/93/598494593.db2.gz LGWFLJIWSSDSHI-CABCVRRESA-N -1 3 343.475 3.849 20 0 EHADHM CCCC[C@@H](CC)C(=O)Nc1sc(C)c(CC)c1-c1nnn[n-]1 ZINC000736436932 598516251 /nfs/dbraw/zinc/51/62/51/598516251.db2.gz BMUJGSHNRNURNC-LLVKDONJSA-N -1 3 335.477 3.954 20 0 EHADHM CCCC[C@@H](CC)C(=O)Nc1sc(C)c(CC)c1-c1nn[n-]n1 ZINC000736436932 598516252 /nfs/dbraw/zinc/51/62/52/598516252.db2.gz BMUJGSHNRNURNC-LLVKDONJSA-N -1 3 335.477 3.954 20 0 EHADHM CCc1c(C)sc(NC(=O)CCC2CCCC2)c1-c1nnn[n-]1 ZINC000736671341 598518449 /nfs/dbraw/zinc/51/84/49/598518449.db2.gz WSTCOARLEXJUQV-UHFFFAOYSA-N -1 3 333.461 3.708 20 0 EHADHM CCc1c(C)sc(NC(=O)CCC2CCCC2)c1-c1nn[n-]n1 ZINC000736671341 598518451 /nfs/dbraw/zinc/51/84/51/598518451.db2.gz WSTCOARLEXJUQV-UHFFFAOYSA-N -1 3 333.461 3.708 20 0 EHADHM CC[C@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736318069 598554700 /nfs/dbraw/zinc/55/47/00/598554700.db2.gz BGJNWNGYQAOOKJ-LBPRGKRZSA-N -1 3 337.383 3.644 20 0 EHADHM CC[C@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736318069 598554703 /nfs/dbraw/zinc/55/47/03/598554703.db2.gz BGJNWNGYQAOOKJ-LBPRGKRZSA-N -1 3 337.383 3.644 20 0 EHADHM O=C(CCc1ccc2ccccc2c1)Nc1ccccc1-c1nnn[n-]1 ZINC000034600055 598571032 /nfs/dbraw/zinc/57/10/32/598571032.db2.gz OJBLFXUXLHCRJI-UHFFFAOYSA-N -1 3 343.390 3.591 20 0 EHADHM O=C(CCc1ccc2ccccc2c1)Nc1ccccc1-c1nn[n-]n1 ZINC000034600055 598571033 /nfs/dbraw/zinc/57/10/33/598571033.db2.gz OJBLFXUXLHCRJI-UHFFFAOYSA-N -1 3 343.390 3.591 20 0 EHADHM CC(=CC(=O)Nc1ccccc1-c1nnn[n-]1)c1ccccc1Cl ZINC000735447964 598571137 /nfs/dbraw/zinc/57/11/37/598571137.db2.gz NETUEQCEEPEBET-KHPPLWFESA-N -1 3 339.786 3.562 20 0 EHADHM CC(=CC(=O)Nc1ccccc1-c1nn[n-]n1)c1ccccc1Cl ZINC000735447964 598571138 /nfs/dbraw/zinc/57/11/38/598571138.db2.gz NETUEQCEEPEBET-KHPPLWFESA-N -1 3 339.786 3.562 20 0 EHADHM CC(C)Sc1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000735921102 598573407 /nfs/dbraw/zinc/57/34/07/598573407.db2.gz JLSKUQXTEOPDFK-UHFFFAOYSA-N -1 3 339.424 3.620 20 0 EHADHM CC(C)Sc1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000735921102 598573408 /nfs/dbraw/zinc/57/34/08/598573408.db2.gz JLSKUQXTEOPDFK-UHFFFAOYSA-N -1 3 339.424 3.620 20 0 EHADHM Fc1ccc(CSc2ccnc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000737647468 598585006 /nfs/dbraw/zinc/58/50/06/598585006.db2.gz FFYMGWNQUNQQBY-UHFFFAOYSA-N -1 3 337.383 3.846 20 0 EHADHM Fc1ccc(CSc2ccnc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000737647468 598585008 /nfs/dbraw/zinc/58/50/08/598585008.db2.gz FFYMGWNQUNQQBY-UHFFFAOYSA-N -1 3 337.383 3.846 20 0 EHADHM C[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)cc1F ZINC000736140637 598635971 /nfs/dbraw/zinc/63/59/71/598635971.db2.gz YEMXTWXHUZUZSI-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)cc1F ZINC000736140637 598635973 /nfs/dbraw/zinc/63/59/73/598635973.db2.gz YEMXTWXHUZUZSI-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM Clc1cc(N2CCC[C@@H]2c2cccs2)ccc1-c1nnn[n-]1 ZINC000737563802 598636449 /nfs/dbraw/zinc/63/64/49/598636449.db2.gz GMCLKEDXFPIKBI-CYBMUJFWSA-N -1 3 331.832 3.923 20 0 EHADHM Clc1cc(N2CCC[C@@H]2c2cccs2)ccc1-c1nn[n-]n1 ZINC000737563802 598636450 /nfs/dbraw/zinc/63/64/50/598636450.db2.gz GMCLKEDXFPIKBI-CYBMUJFWSA-N -1 3 331.832 3.923 20 0 EHADHM C(=Cc1ccc(-c2nnn[n-]2)cn1)c1csc(-c2cccs2)n1 ZINC000735401027 598640577 /nfs/dbraw/zinc/64/05/77/598640577.db2.gz VSWNJQPWVQNAMI-WAYWQWQTSA-N -1 3 338.421 3.617 20 0 EHADHM C(=Cc1ccc(-c2nn[n-]n2)cn1)c1csc(-c2cccs2)n1 ZINC000735401027 598640579 /nfs/dbraw/zinc/64/05/79/598640579.db2.gz VSWNJQPWVQNAMI-WAYWQWQTSA-N -1 3 338.421 3.617 20 0 EHADHM Fc1ccc(CSCc2ccc(F)c(F)c2)c(-c2nnn[n-]2)c1 ZINC000737647243 598695338 /nfs/dbraw/zinc/69/53/38/598695338.db2.gz AGGIJASDFAJJAR-UHFFFAOYSA-N -1 3 336.342 3.717 20 0 EHADHM Fc1ccc(CSCc2ccc(F)c(F)c2)c(-c2nn[n-]n2)c1 ZINC000737647243 598695340 /nfs/dbraw/zinc/69/53/40/598695340.db2.gz AGGIJASDFAJJAR-UHFFFAOYSA-N -1 3 336.342 3.717 20 0 EHADHM CC[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)c1ccccc1 ZINC000736331276 598737367 /nfs/dbraw/zinc/73/73/67/598737367.db2.gz IPUXVWURNWIBSA-CQSZACIVSA-N -1 3 335.411 3.698 20 0 EHADHM CC[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)c1ccccc1 ZINC000736331276 598737368 /nfs/dbraw/zinc/73/73/68/598737368.db2.gz IPUXVWURNWIBSA-CQSZACIVSA-N -1 3 335.411 3.698 20 0 EHADHM CCSc1ccc([C@H](C)Nc2ncccc2-c2nnn[n-]2)cc1 ZINC000736665219 598755425 /nfs/dbraw/zinc/75/54/25/598755425.db2.gz FXQZKQUWGFELGF-NSHDSACASA-N -1 3 326.429 3.547 20 0 EHADHM CCSc1ccc([C@H](C)Nc2ncccc2-c2nn[n-]n2)cc1 ZINC000736665219 598755426 /nfs/dbraw/zinc/75/54/26/598755426.db2.gz FXQZKQUWGFELGF-NSHDSACASA-N -1 3 326.429 3.547 20 0 EHADHM C[C@H]1C[C@H]1c1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)o1 ZINC000736234751 598794154 /nfs/dbraw/zinc/79/41/54/598794154.db2.gz BRTQDNMUZQRUHF-JOYOIKCWSA-N -1 3 329.791 3.849 20 0 EHADHM C[C@H]1C[C@H]1c1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)o1 ZINC000736234751 598794155 /nfs/dbraw/zinc/79/41/55/598794155.db2.gz BRTQDNMUZQRUHF-JOYOIKCWSA-N -1 3 329.791 3.849 20 0 EHADHM C[C@H](OC(=O)c1cccc(C(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736163031 598798667 /nfs/dbraw/zinc/79/86/67/598798667.db2.gz LCGRYJJUPHYKAQ-JTQLQIEISA-N -1 3 344.321 3.722 20 0 EHADHM C[C@H](OC(=O)c1cccc(C(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736163031 598798668 /nfs/dbraw/zinc/79/86/68/598798668.db2.gz LCGRYJJUPHYKAQ-JTQLQIEISA-N -1 3 344.321 3.722 20 0 EHADHM Fc1cccc(NCc2ccccc2OC2CCC2)c1-c1nnn[n-]1 ZINC000737665657 599306651 /nfs/dbraw/zinc/30/66/51/599306651.db2.gz SZLDJKJXPVACAJ-UHFFFAOYSA-N -1 3 339.374 3.549 20 0 EHADHM Fc1cccc(NCc2ccccc2OC2CCC2)c1-c1nn[n-]n1 ZINC000737665657 599306652 /nfs/dbraw/zinc/30/66/52/599306652.db2.gz SZLDJKJXPVACAJ-UHFFFAOYSA-N -1 3 339.374 3.549 20 0 EHADHM CC(C)[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)c1ccccc1 ZINC000820032443 599348701 /nfs/dbraw/zinc/34/87/01/599348701.db2.gz NUNKAPCZTNASND-QGZVFWFLSA-N -1 3 338.436 3.866 20 0 EHADHM CC(C)[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)c1ccccc1 ZINC000820032443 599348703 /nfs/dbraw/zinc/34/87/03/599348703.db2.gz NUNKAPCZTNASND-QGZVFWFLSA-N -1 3 338.436 3.866 20 0 EHADHM C[C@@H]1CN(c2cc(Cl)ccc2-c2nnn[n-]2)Cc2ccccc21 ZINC000736288540 599397073 /nfs/dbraw/zinc/39/70/73/599397073.db2.gz IWXGPRPSDMILIP-LLVKDONJSA-N -1 3 325.803 3.644 20 0 EHADHM C[C@@H]1CN(c2cc(Cl)ccc2-c2nn[n-]n2)Cc2ccccc21 ZINC000736288540 599397076 /nfs/dbraw/zinc/39/70/76/599397076.db2.gz IWXGPRPSDMILIP-LLVKDONJSA-N -1 3 325.803 3.644 20 0 EHADHM CCCCCC[C@H](C)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821049233 599404382 /nfs/dbraw/zinc/40/43/82/599404382.db2.gz JELVUVPPRKZEBL-UONOGXRCSA-N -1 3 344.463 3.586 20 0 EHADHM CCCCCC[C@H](C)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821049233 599404384 /nfs/dbraw/zinc/40/43/84/599404384.db2.gz JELVUVPPRKZEBL-UONOGXRCSA-N -1 3 344.463 3.586 20 0 EHADHM CCOc1ccccc1CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000821431355 599490191 /nfs/dbraw/zinc/49/01/91/599490191.db2.gz RDKAOAZUFXVGTI-UHFFFAOYSA-N -1 3 329.791 3.531 20 0 EHADHM CCOc1ccccc1CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000821431355 599490193 /nfs/dbraw/zinc/49/01/93/599490193.db2.gz RDKAOAZUFXVGTI-UHFFFAOYSA-N -1 3 329.791 3.531 20 0 EHADHM CC[C@H](Sc1ccc(-c2nnn[n-]2)cn1)c1ccc(F)cc1F ZINC000736391285 599520174 /nfs/dbraw/zinc/52/01/74/599520174.db2.gz MDVMOLNGAWTCRX-ZDUSSCGKSA-N -1 3 333.367 3.783 20 0 EHADHM CC[C@H](Sc1ccc(-c2nn[n-]n2)cn1)c1ccc(F)cc1F ZINC000736391285 599520176 /nfs/dbraw/zinc/52/01/76/599520176.db2.gz MDVMOLNGAWTCRX-ZDUSSCGKSA-N -1 3 333.367 3.783 20 0 EHADHM Fc1ccc(N2CCC[C@H](c3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC000822778166 599521620 /nfs/dbraw/zinc/52/16/20/599521620.db2.gz DYVLZOIXKDEDEN-HNNXBMFYSA-N -1 3 337.402 3.780 20 0 EHADHM Fc1ccc(N2CCC[C@H](c3ccccc3)CC2)c(-c2nn[n-]n2)c1 ZINC000822778166 599521623 /nfs/dbraw/zinc/52/16/23/599521623.db2.gz DYVLZOIXKDEDEN-HNNXBMFYSA-N -1 3 337.402 3.780 20 0 EHADHM CC(C)c1ccsc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820197590 599527551 /nfs/dbraw/zinc/52/75/51/599527551.db2.gz MHMUTKLVGRNETR-NSHDSACASA-N -1 3 341.440 3.543 20 0 EHADHM CC(C)c1ccsc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820197590 599527553 /nfs/dbraw/zinc/52/75/53/599527553.db2.gz MHMUTKLVGRNETR-NSHDSACASA-N -1 3 341.440 3.543 20 0 EHADHM C[C@H](CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)CC(C)(C)C ZINC000820220159 599527567 /nfs/dbraw/zinc/52/75/67/599527567.db2.gz ODSUHSLSWIETLY-OLZOCXBDSA-N -1 3 329.448 3.506 20 0 EHADHM C[C@H](CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)CC(C)(C)C ZINC000820220159 599527570 /nfs/dbraw/zinc/52/75/70/599527570.db2.gz ODSUHSLSWIETLY-OLZOCXBDSA-N -1 3 329.448 3.506 20 0 EHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCC[C@H]1c1ccco1 ZINC000737628624 599527699 /nfs/dbraw/zinc/52/76/99/599527699.db2.gz YYIRGTRFDFLAKG-ZDUSSCGKSA-N -1 3 349.316 3.820 20 0 EHADHM CCc1c(C)sc(NC(=O)[C@H](C)c2ccsc2)c1-c1nnn[n-]1 ZINC000736671255 599544155 /nfs/dbraw/zinc/54/41/55/599544155.db2.gz VMJIUGMCPRWTOK-MRVPVSSYSA-N -1 3 347.469 3.603 20 0 EHADHM CCc1c(C)sc(NC(=O)[C@H](C)c2ccsc2)c1-c1nn[n-]n1 ZINC000736671255 599544157 /nfs/dbraw/zinc/54/41/57/599544157.db2.gz VMJIUGMCPRWTOK-MRVPVSSYSA-N -1 3 347.469 3.603 20 0 EHADHM COc1ccc([C@H](C)CCNc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821777395 599587973 /nfs/dbraw/zinc/58/79/73/599587973.db2.gz DYFAMWCIQHIIJS-GFCCVEGCSA-N -1 3 341.390 3.620 20 0 EHADHM Cc1oc(CN2CCC(Cc3ccc(F)cc3)CC2)cc1C(=O)[O-] ZINC000584296959 599717427 /nfs/dbraw/zinc/71/74/27/599717427.db2.gz PMLZLALSNCQJQY-UHFFFAOYSA-N -1 3 331.387 3.880 20 0 EHADHM COc1ccc([C@H](NCc2ccc(Cl)c(Cl)c2)C(=O)[O-])cc1 ZINC000737968284 599856952 /nfs/dbraw/zinc/85/69/52/599856952.db2.gz FBCAMSPPBJLHHY-HNNXBMFYSA-N -1 3 340.206 3.918 20 0 EHADHM Cc1oc(C(=O)[O-])cc1CN1CCC(Cc2ccccc2F)CC1 ZINC000563282345 600337950 /nfs/dbraw/zinc/33/79/50/600337950.db2.gz JTCPNAFNHRWZRA-UHFFFAOYSA-N -1 3 331.387 3.880 20 0 EHADHM Cc1c2cccc(C)c2oc1C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826234353 607443323 /nfs/dbraw/zinc/44/33/23/607443323.db2.gz RXLJMRYSFIDPGU-UHFFFAOYSA-N -1 3 347.378 3.506 20 0 EHADHM Cc1c2cccc(C)c2oc1C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826234353 607443324 /nfs/dbraw/zinc/44/33/24/607443324.db2.gz RXLJMRYSFIDPGU-UHFFFAOYSA-N -1 3 347.378 3.506 20 0 EHADHM CN(C)Cc1cccc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])c1 ZINC000737370486 600666901 /nfs/dbraw/zinc/66/69/01/600666901.db2.gz MAXWEOMLHFBHGJ-UHFFFAOYSA-N -1 3 348.402 3.852 20 0 EHADHM O=C([O-])N1CCC[C@@H](N[C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000833279260 601222971 /nfs/dbraw/zinc/22/29/71/601222971.db2.gz YUEWATDKCFAFDZ-MSOLQXFVSA-N -1 3 328.387 3.647 20 0 EHADHM CCc1oc(C(=O)[O-])cc1CN(Cc1cccc(O)c1)CC1CC1 ZINC000830363279 601414309 /nfs/dbraw/zinc/41/43/09/601414309.db2.gz QLYXAAAYYLVWMN-UHFFFAOYSA-N -1 3 329.396 3.658 20 0 EHADHM Cc1nc([C@@H]2CCCN(Cc3ccc(C(=O)[O-])c(F)c3)C2)sc1C ZINC000566689012 601624763 /nfs/dbraw/zinc/62/47/63/601624763.db2.gz HZBSSVCWDFLDQB-CQSZACIVSA-N -1 3 348.443 3.977 20 0 EHADHM C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000320715303 601919358 /nfs/dbraw/zinc/91/93/58/601919358.db2.gz BSDCETNHXLDLBM-PWSUYJOCSA-N -1 3 349.374 3.538 20 0 EHADHM Cc1nc([C@@H](C)N2CC[C@H](C(=O)[O-])C2)oc1-c1ccc(Cl)cc1 ZINC000576234149 602015032 /nfs/dbraw/zinc/01/50/32/602015032.db2.gz XFRFJAPNOCHZJM-YPMHNXCESA-N -1 3 334.803 3.771 20 0 EHADHM CN(CC1CCN(Cc2c(Cl)ccc3cccnc32)CC1)C(=O)[O-] ZINC000739666416 602383026 /nfs/dbraw/zinc/38/30/26/602383026.db2.gz TXDZJYVLNSMGAY-UHFFFAOYSA-N -1 3 347.846 3.710 20 0 EHADHM C[C@@H](Oc1ccc(CN2CCC[C@@H]2c2ccsc2)cc1)C(=O)[O-] ZINC000833538513 604534773 /nfs/dbraw/zinc/53/47/73/604534773.db2.gz DBXXNFOTBKLYPT-CXAGYDPISA-N -1 3 331.437 3.937 20 0 EHADHM COc1c(Cl)cc(Cl)cc1CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000833726603 604650258 /nfs/dbraw/zinc/65/02/58/604650258.db2.gz FGNZFXJBLQCLIO-GFCCVEGCSA-N -1 3 344.238 3.689 20 0 EHADHM CCCOc1c(CN2CCC3(C[C@H]3C(=O)[O-])CC2)cccc1OCC ZINC000833651906 604650304 /nfs/dbraw/zinc/65/03/04/604650304.db2.gz GUTBERHJDYKWHG-INIZCTEOSA-N -1 3 347.455 3.561 20 0 EHADHM C[C@]1(NCc2nnc(-c3cccc(Cl)c3)o2)CCCC[C@H]1C(=O)[O-] ZINC000833568951 604819503 /nfs/dbraw/zinc/81/95/03/604819503.db2.gz JCNHEANRCPAYGL-GUYCJALGSA-N -1 3 349.818 3.513 20 0 EHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2ncc(-c3ccccc3F)o2)C1 ZINC000833419535 604937221 /nfs/dbraw/zinc/93/72/21/604937221.db2.gz FZKBXAXREKZOSN-ZDUSSCGKSA-N -1 3 346.402 3.804 20 0 EHADHM C[C@@H](c1nnc(-c2ccccc2)o1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833551385 604938404 /nfs/dbraw/zinc/93/84/04/604938404.db2.gz TZPFDIAJPNWIDR-ZFWWWQNUSA-N -1 3 343.427 3.620 20 0 EHADHM CC(C)COc1ccc([C@H](C)N[C@H](C(=O)[O-])c2cccnc2)cc1 ZINC000826900363 605006516 /nfs/dbraw/zinc/00/65/16/605006516.db2.gz BMJCOWOSLGYJRV-KSSFIOAISA-N -1 3 328.412 3.593 20 0 EHADHM C[C@]1(NCc2ncc(-c3cccc(F)c3)o2)CCCC[C@H]1C(=O)[O-] ZINC000833569588 605071337 /nfs/dbraw/zinc/07/13/37/605071337.db2.gz NXHNJFDUJHIRCV-KSSFIOAISA-N -1 3 332.375 3.604 20 0 EHADHM C[C@@H](Oc1ccc(CNC2(c3ccc(F)cc3)CCC2)cc1)C(=O)[O-] ZINC000833539674 605088710 /nfs/dbraw/zinc/08/87/10/605088710.db2.gz HNPOVJXVEWOIRG-CQSZACIVSA-N -1 3 343.398 3.847 20 0 EHADHM CC[C@H](NCc1ccc(C(=O)[O-])c(F)c1)c1ccc2c(c1)OCCO2 ZINC000833644565 605097559 /nfs/dbraw/zinc/09/75/59/605097559.db2.gz QUGONRGTJCPFNK-INIZCTEOSA-N -1 3 345.370 3.536 20 0 EHADHM C[C@@H](Oc1ccc(CNC2(c3cccc(Cl)c3)CC2)cc1)C(=O)[O-] ZINC000833538611 605108765 /nfs/dbraw/zinc/10/87/65/605108765.db2.gz DUOCKVJTIKWBBT-CYBMUJFWSA-N -1 3 345.826 3.971 20 0 EHADHM O=C([O-])N1CCc2cccc(CN3CCC(c4ccccn4)CC3)c21 ZINC000834121593 605551787 /nfs/dbraw/zinc/55/17/87/605551787.db2.gz BEJGXNXULRDKAO-UHFFFAOYSA-N -1 3 337.423 3.502 20 0 EHADHM CCOc1cc(CN[C@@H]2CCc3cc(NC(=O)[O-])ccc32)ccc1O ZINC000833862485 605634238 /nfs/dbraw/zinc/63/42/38/605634238.db2.gz XGQHYWKTGUPNBJ-MRXNPFEDSA-N -1 3 342.395 3.658 20 0 EHADHM C[C@H](c1ccc(Cl)cc1)[S@@](=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820563002 606155742 /nfs/dbraw/zinc/15/57/42/606155742.db2.gz LCZCMRKPHXJQCM-BGJPBQGDSA-N -1 3 346.843 3.530 20 0 EHADHM C[C@H](c1ccc(Cl)cc1)[S@@](=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820563002 606155744 /nfs/dbraw/zinc/15/57/44/606155744.db2.gz LCZCMRKPHXJQCM-BGJPBQGDSA-N -1 3 346.843 3.530 20 0 EHADHM C[C@@H](N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ncc(C(C)(C)C)o1 ZINC000820413430 606173398 /nfs/dbraw/zinc/17/33/98/606173398.db2.gz PVONXBZBMUQJTA-NWDGAFQWSA-N -1 3 340.431 3.564 20 0 EHADHM C[C@@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ncc(C(C)(C)C)o1 ZINC000820413430 606173400 /nfs/dbraw/zinc/17/34/00/606173400.db2.gz PVONXBZBMUQJTA-NWDGAFQWSA-N -1 3 340.431 3.564 20 0 EHADHM FC(F)(F)c1ccc(NCc2cccs2)c(-c2nnn[n-]2)c1 ZINC000822729167 606174959 /nfs/dbraw/zinc/17/49/59/606174959.db2.gz UYMKKPZHYRJMDJ-UHFFFAOYSA-N -1 3 325.319 3.559 20 0 EHADHM FC(F)(F)c1ccc(NCc2cccs2)c(-c2nn[n-]n2)c1 ZINC000822729167 606174960 /nfs/dbraw/zinc/17/49/60/606174960.db2.gz UYMKKPZHYRJMDJ-UHFFFAOYSA-N -1 3 325.319 3.559 20 0 EHADHM C[C@H](OC(=O)C(C)(C)c1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820480189 606339864 /nfs/dbraw/zinc/33/98/64/606339864.db2.gz GIDPTHPYUOENOX-NSHDSACASA-N -1 3 342.424 3.510 20 0 EHADHM C[C@H](OC(=O)C(C)(C)c1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820480189 606339866 /nfs/dbraw/zinc/33/98/66/606339866.db2.gz GIDPTHPYUOENOX-NSHDSACASA-N -1 3 342.424 3.510 20 0 EHADHM CC[C@@H](C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000820842477 606341181 /nfs/dbraw/zinc/34/11/81/606341181.db2.gz NBRLJIFPKUAPHZ-CXAGYDPISA-N -1 3 336.395 3.665 20 0 EHADHM CC[C@@H](C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820842477 606341183 /nfs/dbraw/zinc/34/11/83/606341183.db2.gz NBRLJIFPKUAPHZ-CXAGYDPISA-N -1 3 336.395 3.665 20 0 EHADHM C[C@@H](OC(=O)[C@H]1CCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820486934 606348601 /nfs/dbraw/zinc/34/86/01/606348601.db2.gz DOHVMUZDFJRJJI-ACJLOTCBSA-N -1 3 348.406 3.591 20 0 EHADHM C[C@@H](OC(=O)[C@H]1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820486934 606348603 /nfs/dbraw/zinc/34/86/03/606348603.db2.gz DOHVMUZDFJRJJI-ACJLOTCBSA-N -1 3 348.406 3.591 20 0 EHADHM C[C@@H](OC(=O)[C@@H]1CCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820486936 606348629 /nfs/dbraw/zinc/34/86/29/606348629.db2.gz DOHVMUZDFJRJJI-FZKQIMNGSA-N -1 3 348.406 3.591 20 0 EHADHM C[C@@H](OC(=O)[C@@H]1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820486936 606348630 /nfs/dbraw/zinc/34/86/30/606348630.db2.gz DOHVMUZDFJRJJI-FZKQIMNGSA-N -1 3 348.406 3.591 20 0 EHADHM Clc1cccc(CNCc2ccc(-c3nnn[n-]3)s2)c1Cl ZINC000822585631 606415128 /nfs/dbraw/zinc/41/51/28/606415128.db2.gz IARFUOFQKKRALQ-UHFFFAOYSA-N -1 3 340.239 3.525 20 0 EHADHM CC[C@H](Nc1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(OC)cc1 ZINC000820926764 606441951 /nfs/dbraw/zinc/44/19/51/606441951.db2.gz WOIORZXVDDISIZ-HNNXBMFYSA-N -1 3 345.353 3.717 20 0 EHADHM CC[C@H](Nc1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(OC)cc1 ZINC000820926764 606441953 /nfs/dbraw/zinc/44/19/53/606441953.db2.gz WOIORZXVDDISIZ-HNNXBMFYSA-N -1 3 345.353 3.717 20 0 EHADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000822737433 606447396 /nfs/dbraw/zinc/44/73/96/606447396.db2.gz VKNIZSZLIARKCV-DTWKUNHWSA-N -1 3 347.291 3.678 20 0 EHADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000822737433 606447397 /nfs/dbraw/zinc/44/73/97/606447397.db2.gz VKNIZSZLIARKCV-DTWKUNHWSA-N -1 3 347.291 3.678 20 0 EHADHM c1cc([C@H]2CCCN2c2c(-c3nnn[n-]3)cnc3ccccc32)cs1 ZINC000823792602 606456340 /nfs/dbraw/zinc/45/63/40/606456340.db2.gz ZEAXEVLQYDWIMX-MRXNPFEDSA-N -1 3 348.435 3.818 20 0 EHADHM c1cc([C@H]2CCCN2c2c(-c3nn[n-]n3)cnc3ccccc32)cs1 ZINC000823792602 606456341 /nfs/dbraw/zinc/45/63/41/606456341.db2.gz ZEAXEVLQYDWIMX-MRXNPFEDSA-N -1 3 348.435 3.818 20 0 EHADHM O=C(CCC1CCC1)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000822950596 606489674 /nfs/dbraw/zinc/48/96/74/606489674.db2.gz UNYFTEXSXBBQSO-UHFFFAOYSA-N -1 3 345.472 3.716 20 0 EHADHM O=C(CCC1CCC1)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000822950596 606489676 /nfs/dbraw/zinc/48/96/76/606489676.db2.gz UNYFTEXSXBBQSO-UHFFFAOYSA-N -1 3 345.472 3.716 20 0 EHADHM Cc1c(F)cccc1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822034774 606597060 /nfs/dbraw/zinc/59/70/60/606597060.db2.gz LDZSJNHTRQPWNN-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM Cc1c(F)cccc1NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822034774 606597061 /nfs/dbraw/zinc/59/70/61/606597061.db2.gz LDZSJNHTRQPWNN-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)C1CCC(C)(C)CC1 ZINC000822217967 606696680 /nfs/dbraw/zinc/69/66/80/606696680.db2.gz UNCLKBJCGGZTJR-UHFFFAOYSA-N -1 3 342.447 3.608 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)C1CCC(C)(C)CC1 ZINC000822217967 606696681 /nfs/dbraw/zinc/69/66/81/606696681.db2.gz UNCLKBJCGGZTJR-UHFFFAOYSA-N -1 3 342.447 3.608 20 0 EHADHM CC(C)(C)c1csc(COc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000819965462 606702791 /nfs/dbraw/zinc/70/27/91/606702791.db2.gz HPNQMFOMKTXOFP-UHFFFAOYSA-N -1 3 349.847 3.853 20 0 EHADHM CC(C)(C)c1csc(COc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000819965462 606702793 /nfs/dbraw/zinc/70/27/93/606702793.db2.gz HPNQMFOMKTXOFP-UHFFFAOYSA-N -1 3 349.847 3.853 20 0 EHADHM CC(C)CC[C@@H]1CCCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820073936 606722596 /nfs/dbraw/zinc/72/25/96/606722596.db2.gz XKKAYXCVJBLHNX-INIZCTEOSA-N -1 3 342.447 3.689 20 0 EHADHM CC(C)CC[C@@H]1CCCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820073936 606722597 /nfs/dbraw/zinc/72/25/97/606722597.db2.gz XKKAYXCVJBLHNX-INIZCTEOSA-N -1 3 342.447 3.689 20 0 EHADHM CN(c1ccccc1NCc1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000821619071 606776331 /nfs/dbraw/zinc/77/63/31/606776331.db2.gz IJWATUCGYNSDDW-UHFFFAOYSA-N -1 3 348.454 3.858 20 0 EHADHM CN(c1ccccc1NCc1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000821619071 606776332 /nfs/dbraw/zinc/77/63/32/606776332.db2.gz IJWATUCGYNSDDW-UHFFFAOYSA-N -1 3 348.454 3.858 20 0 EHADHM CC(C)CN(CC(C)(C)C)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820087026 606776651 /nfs/dbraw/zinc/77/66/51/606776651.db2.gz JTHZYMPUYBBLIF-UHFFFAOYSA-N -1 3 346.504 3.568 20 0 EHADHM CC(C)CN(CC(C)(C)C)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820087026 606776653 /nfs/dbraw/zinc/77/66/53/606776653.db2.gz JTHZYMPUYBBLIF-UHFFFAOYSA-N -1 3 346.504 3.568 20 0 EHADHM CSc1ccc(Cl)cc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821983744 606929269 /nfs/dbraw/zinc/92/92/69/606929269.db2.gz IXSVMCFTIJFUID-UHFFFAOYSA-N -1 3 349.822 3.993 20 0 EHADHM CSc1ccc(Cl)cc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821983744 606929270 /nfs/dbraw/zinc/92/92/70/606929270.db2.gz IXSVMCFTIJFUID-UHFFFAOYSA-N -1 3 349.822 3.993 20 0 EHADHM Cc1cccc2c(Oc3ccc(-c4nnn[n-]4)cc3Cl)ncnc12 ZINC000822340673 606969982 /nfs/dbraw/zinc/96/99/82/606969982.db2.gz BYDHEHWMISUWQT-UHFFFAOYSA-N -1 3 338.758 3.564 20 0 EHADHM Cc1cccc2c(Oc3ccc(-c4nn[n-]n4)cc3Cl)ncnc12 ZINC000822340673 606969984 /nfs/dbraw/zinc/96/99/84/606969984.db2.gz BYDHEHWMISUWQT-UHFFFAOYSA-N -1 3 338.758 3.564 20 0 EHADHM CC(C)(C)c1csc(CSc2cccc(-c3nnn[n-]3)c2)n1 ZINC000819965811 607011850 /nfs/dbraw/zinc/01/18/50/607011850.db2.gz NZMHXPUMLCLARI-UHFFFAOYSA-N -1 3 331.470 3.913 20 0 EHADHM CC(C)(C)c1csc(CSc2cccc(-c3nn[n-]n3)c2)n1 ZINC000819965811 607011851 /nfs/dbraw/zinc/01/18/51/607011851.db2.gz NZMHXPUMLCLARI-UHFFFAOYSA-N -1 3 331.470 3.913 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1OCc1ncc(-c2ccccc2C)o1 ZINC000822221586 607028155 /nfs/dbraw/zinc/02/81/55/607028155.db2.gz VZQSOXVKEZZCLY-UHFFFAOYSA-N -1 3 347.378 3.718 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1OCc1ncc(-c2ccccc2C)o1 ZINC000822221586 607028158 /nfs/dbraw/zinc/02/81/58/607028158.db2.gz VZQSOXVKEZZCLY-UHFFFAOYSA-N -1 3 347.378 3.718 20 0 EHADHM CCc1c(C)sc(NC(=O)C[C@H]2CC[C@H](C)C2)c1-c1nnn[n-]1 ZINC000821465609 607089025 /nfs/dbraw/zinc/08/90/25/607089025.db2.gz KJJCRQUKDPZZHP-ONGXEEELSA-N -1 3 333.461 3.564 20 0 EHADHM CCc1c(C)sc(NC(=O)C[C@H]2CC[C@H](C)C2)c1-c1nn[n-]n1 ZINC000821465609 607089027 /nfs/dbraw/zinc/08/90/27/607089027.db2.gz KJJCRQUKDPZZHP-ONGXEEELSA-N -1 3 333.461 3.564 20 0 EHADHM c1cn(Cc2cc3ccccc3o2)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000823802359 607133612 /nfs/dbraw/zinc/13/36/12/607133612.db2.gz KSWZIPYDZPYZKX-UHFFFAOYSA-N -1 3 342.362 3.525 20 0 EHADHM c1cn(Cc2cc3ccccc3o2)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000823802359 607133614 /nfs/dbraw/zinc/13/36/14/607133614.db2.gz KSWZIPYDZPYZKX-UHFFFAOYSA-N -1 3 342.362 3.525 20 0 EHADHM Cc1cc2ccccc2nc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822212940 607173034 /nfs/dbraw/zinc/17/30/34/607173034.db2.gz NQEVCYCAAFFJHB-CYBMUJFWSA-N -1 3 330.395 3.896 20 0 EHADHM Cc1cc2ccccc2nc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822212940 607173035 /nfs/dbraw/zinc/17/30/35/607173035.db2.gz NQEVCYCAAFFJHB-CYBMUJFWSA-N -1 3 330.395 3.896 20 0 EHADHM O=C(CCCC1CCCC1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822955270 607243719 /nfs/dbraw/zinc/24/37/19/607243719.db2.gz NYZZRYMMDAFHCX-UHFFFAOYSA-N -1 3 333.823 3.819 20 0 EHADHM O=C(CCCC1CCCC1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822955270 607243720 /nfs/dbraw/zinc/24/37/20/607243720.db2.gz NYZZRYMMDAFHCX-UHFFFAOYSA-N -1 3 333.823 3.819 20 0 EHADHM CC(C)[C@H]1CC[C@H](C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824507309 607793909 /nfs/dbraw/zinc/79/39/09/607793909.db2.gz WFBHUBICQGFPGN-RBSFLKMASA-N -1 3 341.459 3.506 20 0 EHADHM CC(C)[C@H]1CC[C@H](C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824507309 607793910 /nfs/dbraw/zinc/79/39/10/607793910.db2.gz WFBHUBICQGFPGN-RBSFLKMASA-N -1 3 341.459 3.506 20 0 EHADHM CCC[C@@H](C(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000825224927 608152564 /nfs/dbraw/zinc/15/25/64/608152564.db2.gz HBTGSYYUEQEMMU-WMLDXEAASA-N -1 3 343.475 3.849 20 0 EHADHM CCC[C@@H](C(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000825224927 608152565 /nfs/dbraw/zinc/15/25/65/608152565.db2.gz HBTGSYYUEQEMMU-WMLDXEAASA-N -1 3 343.475 3.849 20 0 EHADHM Cc1nc(-c2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)cs1 ZINC000826322380 608152967 /nfs/dbraw/zinc/15/29/67/608152967.db2.gz KEFUOPGEKLPPHB-UHFFFAOYSA-N -1 3 349.419 3.878 20 0 EHADHM Cc1nc(-c2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)cs1 ZINC000826322380 608152968 /nfs/dbraw/zinc/15/29/68/608152968.db2.gz KEFUOPGEKLPPHB-UHFFFAOYSA-N -1 3 349.419 3.878 20 0 EHADHM C[C@H](OC(=O)[C@H](c1ccccc1)C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824712565 608247863 /nfs/dbraw/zinc/24/78/63/608247863.db2.gz BALONXRFPPHMLY-SCLBCKFNSA-N -1 3 348.406 3.665 20 0 EHADHM C[C@H](OC(=O)[C@H](c1ccccc1)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824712565 608247864 /nfs/dbraw/zinc/24/78/64/608247864.db2.gz BALONXRFPPHMLY-SCLBCKFNSA-N -1 3 348.406 3.665 20 0 EHADHM COc1cc(-c2nnn[n-]2)ccc1CSc1ccc2ccccc2n1 ZINC000826173881 608261126 /nfs/dbraw/zinc/26/11/26/608261126.db2.gz ZFLHRZPXOCLIPB-UHFFFAOYSA-N -1 3 349.419 3.716 20 0 EHADHM COc1cc(-c2nn[n-]n2)ccc1CSc1ccc2ccccc2n1 ZINC000826173881 608261128 /nfs/dbraw/zinc/26/11/28/608261128.db2.gz ZFLHRZPXOCLIPB-UHFFFAOYSA-N -1 3 349.419 3.716 20 0 EHADHM Cc1c2ccccc2oc1[C@@H](C)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC000826274922 608276090 /nfs/dbraw/zinc/27/60/90/608276090.db2.gz JAGUKIGUBGLJCY-GFCCVEGCSA-N -1 3 334.383 3.798 20 0 EHADHM Cc1c2ccccc2oc1[C@@H](C)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC000826274922 608276091 /nfs/dbraw/zinc/27/60/91/608276091.db2.gz JAGUKIGUBGLJCY-GFCCVEGCSA-N -1 3 334.383 3.798 20 0 EHADHM CC/C=C(/C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825219858 608327513 /nfs/dbraw/zinc/32/75/13/608327513.db2.gz NFERQYCPHLMBSC-NSIKDUERSA-N -1 3 347.422 3.506 20 0 EHADHM CC/C=C(/C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825219858 608327515 /nfs/dbraw/zinc/32/75/15/608327515.db2.gz NFERQYCPHLMBSC-NSIKDUERSA-N -1 3 347.422 3.506 20 0 EHADHM Nc1ccc(SCc2cccc(-c3nnn[n-]3)c2F)c(Cl)c1 ZINC000826396220 608399660 /nfs/dbraw/zinc/39/96/60/608399660.db2.gz NAXJGTJPTMOBLY-UHFFFAOYSA-N -1 3 335.795 3.534 20 0 EHADHM Nc1ccc(SCc2cccc(-c3nn[n-]n3)c2F)c(Cl)c1 ZINC000826396220 608399661 /nfs/dbraw/zinc/39/96/61/608399661.db2.gz NAXJGTJPTMOBLY-UHFFFAOYSA-N -1 3 335.795 3.534 20 0 EHADHM c1cc(-c2nnn[n-]2)oc1CN(Cc1ccccc1)Cc1ccccc1 ZINC000826521199 608497229 /nfs/dbraw/zinc/49/72/29/608497229.db2.gz DIFDDLJVGATJEH-UHFFFAOYSA-N -1 3 345.406 3.662 20 0 EHADHM CC[C@@H]1c2ccsc2CCN1Cc1cccc(-c2nnn[n-]2)c1F ZINC000825220658 608643637 /nfs/dbraw/zinc/64/36/37/608643637.db2.gz WEMWCHYMCWLINP-CQSZACIVSA-N -1 3 343.431 3.577 20 0 EHADHM Cc1ccc(-c2ncc(CNc3ccc(-c4nn[n-]n4)cc3)s2)cc1 ZINC000826273414 608865824 /nfs/dbraw/zinc/86/58/24/608865824.db2.gz CMKYTSSULNXPIW-UHFFFAOYSA-N -1 3 348.435 3.911 20 0 EHADHM CSc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826230588 609161391 /nfs/dbraw/zinc/16/13/91/609161391.db2.gz AKMQDIKKNVMRCY-SNVBAGLBSA-N -1 3 329.404 3.901 20 0 EHADHM CSc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826230588 609161392 /nfs/dbraw/zinc/16/13/92/609161392.db2.gz AKMQDIKKNVMRCY-SNVBAGLBSA-N -1 3 329.404 3.901 20 0 EHADHM CCOc1ccccc1N[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000825653818 609237210 /nfs/dbraw/zinc/23/72/10/609237210.db2.gz KLWYZKIJHBDGND-LLVKDONJSA-N -1 3 327.363 3.578 20 0 EHADHM CCOc1ccccc1N[C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000825653818 609237212 /nfs/dbraw/zinc/23/72/12/609237212.db2.gz KLWYZKIJHBDGND-LLVKDONJSA-N -1 3 327.363 3.578 20 0 EHADHM CCCOc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000825342681 609252843 /nfs/dbraw/zinc/25/28/43/609252843.db2.gz WDYLTANBFWSONN-LBPRGKRZSA-N -1 3 341.390 3.968 20 0 EHADHM CCCOc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000825342681 609252844 /nfs/dbraw/zinc/25/28/44/609252844.db2.gz WDYLTANBFWSONN-LBPRGKRZSA-N -1 3 341.390 3.968 20 0 EHADHM COc1ccc(F)cc1N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826208816 609253797 /nfs/dbraw/zinc/25/37/97/609253797.db2.gz AYTCSSCUUWBMIN-HNNXBMFYSA-N -1 3 339.374 3.504 20 0 EHADHM COc1ccc(F)cc1N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826208816 609253798 /nfs/dbraw/zinc/25/37/98/609253798.db2.gz AYTCSSCUUWBMIN-HNNXBMFYSA-N -1 3 339.374 3.504 20 0 EHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1ccc(CF)cc1 ZINC000824323985 609266984 /nfs/dbraw/zinc/26/69/84/609266984.db2.gz FHPROWHWSWYQLJ-UHFFFAOYSA-N -1 3 341.390 3.736 20 0 EHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1ccc(CF)cc1 ZINC000824323985 609266986 /nfs/dbraw/zinc/26/69/86/609266986.db2.gz FHPROWHWSWYQLJ-UHFFFAOYSA-N -1 3 341.390 3.736 20 0 EHADHM Cc1sc(NC(=O)C2(C)CCCCCC2)c(-c2nnn[n-]2)c1C ZINC000826349387 609269473 /nfs/dbraw/zinc/26/94/73/609269473.db2.gz GNVXLPPGFBUHAS-UHFFFAOYSA-N -1 3 333.461 3.844 20 0 EHADHM Cc1sc(NC(=O)C2(C)CCCCCC2)c(-c2nn[n-]n2)c1C ZINC000826349387 609269475 /nfs/dbraw/zinc/26/94/75/609269475.db2.gz GNVXLPPGFBUHAS-UHFFFAOYSA-N -1 3 333.461 3.844 20 0 EHADHM COc1ccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c(C)c1 ZINC000826210157 609273935 /nfs/dbraw/zinc/27/39/35/609273935.db2.gz GYSBWXZHBIMMJX-GOSISDBHSA-N -1 3 335.411 3.673 20 0 EHADHM COc1ccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c(C)c1 ZINC000826210157 609273936 /nfs/dbraw/zinc/27/39/36/609273936.db2.gz GYSBWXZHBIMMJX-GOSISDBHSA-N -1 3 335.411 3.673 20 0 EHADHM C[C@@H](Nc1ccc(-c2csnn2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824648021 609274206 /nfs/dbraw/zinc/27/42/06/609274206.db2.gz CVKDAJRMJFEVGD-LLVKDONJSA-N -1 3 349.423 3.558 20 0 EHADHM C[C@@H](Nc1ccc(-c2csnn2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824648021 609274208 /nfs/dbraw/zinc/27/42/08/609274208.db2.gz CVKDAJRMJFEVGD-LLVKDONJSA-N -1 3 349.423 3.558 20 0 EHADHM CCOc1cc(C)ccc1N[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000825616062 609275923 /nfs/dbraw/zinc/27/59/23/609275923.db2.gz VFNJWOITBXUWIF-GFCCVEGCSA-N -1 3 341.390 3.886 20 0 EHADHM CCOc1cc(C)ccc1N[C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000825616062 609275925 /nfs/dbraw/zinc/27/59/25/609275925.db2.gz VFNJWOITBXUWIF-GFCCVEGCSA-N -1 3 341.390 3.886 20 0 EHADHM C[C@@H](Nc1ccc(N(C)C)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824655830 609276375 /nfs/dbraw/zinc/27/63/75/609276375.db2.gz FZVHETYBBNNUDI-LLVKDONJSA-N -1 3 342.834 3.759 20 0 EHADHM C[C@@H](Nc1ccc(N(C)C)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824655830 609276377 /nfs/dbraw/zinc/27/63/77/609276377.db2.gz FZVHETYBBNNUDI-LLVKDONJSA-N -1 3 342.834 3.759 20 0 EHADHM C[C@H](N[C@@H](C)c1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824531024 609324087 /nfs/dbraw/zinc/32/40/87/609324087.db2.gz OBKKIEDNUGXFOL-UWVGGRQHSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@H](N[C@@H](C)c1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000824531024 609324090 /nfs/dbraw/zinc/32/40/90/609324090.db2.gz OBKKIEDNUGXFOL-UWVGGRQHSA-N -1 3 347.344 3.696 20 0 EHADHM Cc1ccnc(N[C@H](C)c2ccc(F)cc2Cl)c1-c1nnn[n-]1 ZINC000826312028 609557029 /nfs/dbraw/zinc/55/70/29/609557029.db2.gz UHNUGAOKESPPNR-SECBINFHSA-N -1 3 332.770 3.536 20 0 EHADHM Cc1ccnc(N[C@H](C)c2ccc(F)cc2Cl)c1-c1nn[n-]n1 ZINC000826312028 609557032 /nfs/dbraw/zinc/55/70/32/609557032.db2.gz UHNUGAOKESPPNR-SECBINFHSA-N -1 3 332.770 3.536 20 0 EHADHM CC[C@@H](C)[C@@H](C)C(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825050966 609599746 /nfs/dbraw/zinc/59/97/46/609599746.db2.gz MITFHVWIOHKBSA-GHMZBOCLSA-N -1 3 335.839 3.555 20 0 EHADHM CC[C@@H](C)[C@@H](C)C(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825050966 609599748 /nfs/dbraw/zinc/59/97/48/609599748.db2.gz MITFHVWIOHKBSA-GHMZBOCLSA-N -1 3 335.839 3.555 20 0 EHADHM CC(C)CCCCCC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820073061 945343613 /nfs/dbraw/zinc/34/36/13/945343613.db2.gz PKWSQWOIDZZZIC-CQSZACIVSA-N -1 3 329.448 3.650 20 0 EHADHM CC(C)CCCCCC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820073061 945343620 /nfs/dbraw/zinc/34/36/20/945343620.db2.gz PKWSQWOIDZZZIC-CQSZACIVSA-N -1 3 329.448 3.650 20 0 EHADHM Fc1cc(NCc2ccccc2-c2nnn[n-]2)ccc1OC1CCC1 ZINC000822753054 946167600 /nfs/dbraw/zinc/16/76/00/946167600.db2.gz AWEMDGBNSBZSKN-UHFFFAOYSA-N -1 3 339.374 3.549 20 0 EHADHM Fc1cc(NCc2ccccc2-c2nn[n-]n2)ccc1OC1CCC1 ZINC000822753054 946167608 /nfs/dbraw/zinc/16/76/08/946167608.db2.gz AWEMDGBNSBZSKN-UHFFFAOYSA-N -1 3 339.374 3.549 20 0 EHADHM CC(C)c1nc([C@H](C)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000824358203 946668159 /nfs/dbraw/zinc/66/81/59/946668159.db2.gz BRIYFPAWPJOGNL-NEPJUHHUSA-N -1 3 342.472 3.858 20 0 EHADHM Clc1cccc(SCc2ccc3c(c2)COC3)c1-c1nnn[n-]1 ZINC000826353240 948103703 /nfs/dbraw/zinc/10/37/03/948103703.db2.gz HHJGYUMNWXVQHS-UHFFFAOYSA-N -1 3 344.827 3.843 20 0 EHADHM Clc1cccc(SCc2ccc3c(c2)COC3)c1-c1nn[n-]n1 ZINC000826353240 948103713 /nfs/dbraw/zinc/10/37/13/948103713.db2.gz HHJGYUMNWXVQHS-UHFFFAOYSA-N -1 3 344.827 3.843 20 0 EHADHM CC(C)[C@@](C)(Cc1ccccc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001463836664 948529700 /nfs/dbraw/zinc/52/97/00/948529700.db2.gz VSPWSBQCLCXGNV-HXUWFJFHSA-N -1 3 349.438 3.710 20 0 EHADHM CC(C)[C@@](C)(Cc1ccccc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001463836664 948529707 /nfs/dbraw/zinc/52/97/07/948529707.db2.gz VSPWSBQCLCXGNV-HXUWFJFHSA-N -1 3 349.438 3.710 20 0 EHADHM CCC[C@H](CC1CCCC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001528093801 948542712 /nfs/dbraw/zinc/54/27/12/948542712.db2.gz QXJQZJYRIVIHBA-CQSZACIVSA-N -1 3 345.422 3.941 20 0 EHADHM CCC[C@H](CC1CCCC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001528093801 948542715 /nfs/dbraw/zinc/54/27/15/948542715.db2.gz QXJQZJYRIVIHBA-CQSZACIVSA-N -1 3 345.422 3.941 20 0 EHADHM C[C@@H]1CCC[C@H](C(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)C1 ZINC001576151340 949219574 /nfs/dbraw/zinc/21/95/74/949219574.db2.gz GOSINLBDSCVTIV-RISCZKNCSA-N -1 3 325.416 3.509 20 0 EHADHM C[C@@H]1CCC[C@H](C(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)C1 ZINC001576151340 949219590 /nfs/dbraw/zinc/21/95/90/949219590.db2.gz GOSINLBDSCVTIV-RISCZKNCSA-N -1 3 325.416 3.509 20 0 EHADHM O=C([O-])c1cccc(CN[C@H]2c3ccccc3CC[C@@H]2n2ccnc2)c1 ZINC001595244965 949510649 /nfs/dbraw/zinc/51/06/49/949510649.db2.gz JKCPOOFLPIKOKF-PMACEKPBSA-N -1 3 347.418 3.600 20 0 EHADHM CC(C)(C)c1coc(SCc2cc(F)ccc2-c2nnn[n-]2)n1 ZINC001573885038 950811400 /nfs/dbraw/zinc/81/14/00/950811400.db2.gz QOJRJYBLXLZHFD-UHFFFAOYSA-N -1 3 333.392 3.584 20 0 EHADHM CC(C)(C)c1coc(SCc2cc(F)ccc2-c2nn[n-]n2)n1 ZINC001573885038 950811418 /nfs/dbraw/zinc/81/14/18/950811418.db2.gz QOJRJYBLXLZHFD-UHFFFAOYSA-N -1 3 333.392 3.584 20 0 EHADHM O=C([O-])[C@@H](NCc1cccc(OC(F)(F)F)c1)c1ccccc1 ZINC000324098775 951061491 /nfs/dbraw/zinc/06/14/91/951061491.db2.gz OJNVHXMHQDHLHB-AWEZNQCLSA-N -1 3 325.286 3.501 20 0 EHADHM COc1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1OCC(C)C ZINC000426711665 953493038 /nfs/dbraw/zinc/49/30/38/953493038.db2.gz QJZIHQVLAAKAIY-UHFFFAOYSA-N -1 3 343.423 3.718 20 0 EHADHM C[C@H]1CCCN(Cc2cc(F)c(C(F)(F)F)cc2F)[C@@H]1C(=O)[O-] ZINC001589334674 953982243 /nfs/dbraw/zinc/98/22/43/953982243.db2.gz RNLKKDLCEDOOBM-SDBXPKJASA-N -1 3 337.288 3.669 20 0 EHADHM C[C@H](CCN1Cc2ccccc2[C@@H](C(=O)[O-])C1)OCc1ccccc1 ZINC000652470184 954085972 /nfs/dbraw/zinc/08/59/72/954085972.db2.gz QDQYDJTVLXVHHF-UZLBHIALSA-N -1 3 339.435 3.666 20 0 EHADHM CC[C@H](NCc1ccc(C(=O)[O-])cc1)c1cccc(OC)c1OC ZINC000874045146 956103351 /nfs/dbraw/zinc/10/33/51/956103351.db2.gz PCAHANZPFOLBIF-INIZCTEOSA-N -1 3 329.396 3.643 20 0 EHADHM C[C@@H]1CN(Cc2ccc(Oc3ccc(F)cc3)nc2)CC[C@@H]1C(=O)[O-] ZINC000901890222 956523273 /nfs/dbraw/zinc/52/32/73/956523273.db2.gz DYPZXXJHDVUBIW-DYVFJYSZSA-N -1 3 344.386 3.556 20 0 EHADHM C[C@](NCc1ccc(Br)s1)(C(=O)[O-])c1ccccc1 ZINC000041809691 957397530 /nfs/dbraw/zinc/39/75/30/957397530.db2.gz BMZIOVIFURFKDR-CQSZACIVSA-N -1 3 340.242 3.600 20 0 EHADHM C[C@@H](c1ccc(Br)cc1)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263143651 1125472433 /nfs/dbraw/zinc/47/24/33/1125472433.db2.gz DVCAAKCSTNTAQF-MDZLAQPJSA-N -1 3 326.234 3.553 20 0 EHADHM Cc1ccc(-c2csc(CN3CC[C@@H](C(=O)[O-])[C@@H](C)C3)n2)cc1 ZINC001574347149 960968198 /nfs/dbraw/zinc/96/81/98/960968198.db2.gz CAUFCQSZNMKWPM-DZGCQCFKSA-N -1 3 330.453 3.661 20 0 EHADHM CC(C)(C)OC(=O)c1cccc(CNCc2ccc(C(=O)[O-])s2)c1 ZINC001588732494 961097428 /nfs/dbraw/zinc/09/74/28/961097428.db2.gz UHYVRGKHQSARLZ-UHFFFAOYSA-N -1 3 347.436 3.691 20 0 EHADHM Cc1ccc(CN2CCSCC2)cc1NC1CCC(C(=O)[O-])CC1 ZINC000263485360 962671210 /nfs/dbraw/zinc/67/12/10/962671210.db2.gz PFFNBMMFFRJVFV-UHFFFAOYSA-N -1 3 348.512 3.599 20 0 EHADHM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000263342542 1125483850 /nfs/dbraw/zinc/48/38/50/1125483850.db2.gz NUBDUCCGQLXZNC-WCQYABFASA-N -1 3 334.803 3.538 20 0 EHADHM CC(C)COc1ccc(CNCc2ccccc2CC(=O)[O-])cc1 ZINC000277100666 962847208 /nfs/dbraw/zinc/84/72/08/962847208.db2.gz ZBSGLSSXCBWXRD-UHFFFAOYSA-N -1 3 327.424 3.638 20 0 EHADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN[C@@H]3C[C@H]3C3CCCCC3)o2)C1 ZINC001605997396 973066960 /nfs/dbraw/zinc/06/69/60/973066960.db2.gz CNOSYVXTAMJONN-BPQIPLTHSA-N -1 3 346.471 3.639 20 0 EHADHM O=C([O-])c1csc(CN2CCC[C@H]2CCCc2ccccc2)n1 ZINC000519166987 974327237 /nfs/dbraw/zinc/32/72/37/974327237.db2.gz AAQZCKUFYQDHME-OAHLLOKOSA-N -1 3 330.453 3.829 20 0 EHADHM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1coc(-c2ccc(F)cc2)n1 ZINC000530178280 974363464 /nfs/dbraw/zinc/36/34/64/974363464.db2.gz HXWJWHNBJHUGPI-RYUDHWBXSA-N -1 3 332.375 3.554 20 0 EHADHM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1ccc(Br)cc1 ZINC000530175061 974363892 /nfs/dbraw/zinc/36/38/92/974363892.db2.gz CPVQKKVZBUHFCQ-GHMZBOCLSA-N -1 3 326.234 3.523 20 0 EHADHM C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000568059206 974654767 /nfs/dbraw/zinc/65/47/67/974654767.db2.gz ZUIXGHDFOGCJDN-APPDUMDISA-N -1 3 349.818 3.638 20 0 EHADHM O=C([O-])C[C@@H]1CCCN1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000572773893 974754108 /nfs/dbraw/zinc/75/41/08/974754108.db2.gz KZFHGDZDLIFKPQ-AWEZNQCLSA-N -1 3 336.844 3.903 20 0 EHADHM O=C([O-])c1ccc(-c2nc(CN3CCC[C@@H]4CCC[C@H]43)co2)cc1 ZINC000576642770 974819232 /nfs/dbraw/zinc/81/92/32/974819232.db2.gz KNGHRWBIEAKEMQ-SUMWQHHRSA-N -1 3 326.396 3.804 20 0 EHADHM C[C@]1(C(=O)[O-])CCCN(Cc2cc(-c3ccccc3Cl)on2)C1 ZINC000579016545 974867592 /nfs/dbraw/zinc/86/75/92/974867592.db2.gz VMZZGMIFCKRXRK-KRWDZBQOSA-N -1 3 334.803 3.682 20 0 EHADHM COc1ccc([C@@H]2CCN([C@@H](C)c3cc(C)c(C(=O)[O-])o3)C2)cc1F ZINC000629375592 975089871 /nfs/dbraw/zinc/08/98/71/975089871.db2.gz JQVMFQUMNUWVKW-GXTWGEPZSA-N -1 3 347.386 3.984 20 0 EHADHM Cc1cccc(C[C@]2(C)CCCN2Cc2nc(C(=O)[O-])cs2)c1 ZINC000634697853 975275275 /nfs/dbraw/zinc/27/52/75/975275275.db2.gz UIVVUIBEWMNULS-SFHVURJKSA-N -1 3 330.453 3.747 20 0 EHADHM O=C([O-])[C@@H]1CCN(Cc2ncc(-c3cccs3)o2)[C@@H]2CCCC[C@H]12 ZINC000656762877 975690285 /nfs/dbraw/zinc/69/02/85/975690285.db2.gz DBGBNQIUNRAZCT-MGPQQGTHSA-N -1 3 346.452 3.868 20 0 EHADHM CC(C)O[C@@H]1CCN(Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1 ZINC001591737155 975732624 /nfs/dbraw/zinc/73/26/24/975732624.db2.gz JINDDYBWDZHQEQ-QGZVFWFLSA-N -1 3 329.396 3.644 20 0 EHADHM C[C@@](CC(=O)[O-])(NCc1cccc(CC2CCC2)c1)c1ccncc1 ZINC001592327470 977740745 /nfs/dbraw/zinc/74/07/45/977740745.db2.gz BGBXGWSEYYTZQH-NRFANRHFSA-N -1 3 338.451 3.904 20 0 EHADHM O=C([N-]c1nnc(C(F)F)s1)c1nc2ccccc2nc1C1CC1 ZINC000579795075 1014567169 /nfs/dbraw/zinc/56/71/69/1014567169.db2.gz MKGXARFRLGPUSH-UHFFFAOYSA-N -1 3 347.350 3.549 20 0 EHADHM CC[C@@H](C)C(=O)Nc1cccc(CNCc2c(F)ccc([O-])c2F)c1 ZINC000510062920 1014569673 /nfs/dbraw/zinc/56/96/73/1014569673.db2.gz AMDYFUSFKDJGMC-GFCCVEGCSA-N -1 3 348.393 3.945 20 0 EHADHM Cc1cccc(C2(O)CCN(Cc3csc(C(=O)[O-])c3)CC2)c1C ZINC000846253507 979426934 /nfs/dbraw/zinc/42/69/34/979426934.db2.gz KCEOPLLZSRYBHT-UHFFFAOYSA-N -1 3 345.464 3.547 20 0 EHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000274718784 1014628447 /nfs/dbraw/zinc/62/84/47/1014628447.db2.gz DBNHJFPPKNZUHI-NSHDSACASA-N -1 3 338.713 3.939 20 0 EHADHM O=C([N-]O[C@H]1CCCCO1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000274718784 1014628450 /nfs/dbraw/zinc/62/84/50/1014628450.db2.gz DBNHJFPPKNZUHI-NSHDSACASA-N -1 3 338.713 3.939 20 0 EHADHM O=C([O-])C[C@@H](NCc1cccc(OC2CCCC2)c1)c1ccncc1 ZINC000584302341 1032098942 /nfs/dbraw/zinc/09/89/42/1032098942.db2.gz ASCBPJHCEMFVIX-LJQANCHMSA-N -1 3 340.423 3.709 20 0 EHADHM Cc1cc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c(OC(F)F)cc1C ZINC000901497687 980316416 /nfs/dbraw/zinc/31/64/16/980316416.db2.gz CSLWCUUYKSBMBZ-CQSZACIVSA-N -1 3 339.382 3.592 20 0 EHADHM CC(C)COc1ccc(CNCc2ccc(CC(=O)[O-])cc2)cc1 ZINC000901536612 980364705 /nfs/dbraw/zinc/36/47/05/980364705.db2.gz FIFMIUUHTZZUPT-UHFFFAOYSA-N -1 3 327.424 3.638 20 0 EHADHM CCc1oc(CN2CC[C@@H](c3ccc(OC)c(F)c3)C2)cc1C(=O)[O-] ZINC000901544187 980373119 /nfs/dbraw/zinc/37/31/19/980373119.db2.gz UKTWSYKNMGQKBJ-CYBMUJFWSA-N -1 3 347.386 3.677 20 0 EHADHM CC(C)(C)[C@@H]1C[C@@H](N[C@H](C(=O)[O-])c2cc(F)ccc2F)CS1 ZINC000901638498 980419478 /nfs/dbraw/zinc/41/94/78/980419478.db2.gz VRLBUMONFVPJPN-SWHYSGLUSA-N -1 3 329.412 3.600 20 0 EHADHM CC[C@@H](NCc1ccnc(N2CCCC2)c1)c1ccc(C(=O)[O-])cc1 ZINC001595305308 980444384 /nfs/dbraw/zinc/44/43/84/980444384.db2.gz NJPHVFYZUAXUQV-GOSISDBHSA-N -1 3 339.439 3.621 20 0 EHADHM CCC(O)(CC)CCN[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001595323769 980527116 /nfs/dbraw/zinc/52/71/16/980527116.db2.gz VUNHHDXAYPZZDE-CYBMUJFWSA-N -1 3 334.243 3.650 20 0 EHADHM C[C@H](N[C@@H]1CCC[C@@H](c2cccnc2)C1)c1ncc(C(=O)[O-])s1 ZINC000901908164 980621486 /nfs/dbraw/zinc/62/14/86/980621486.db2.gz PJMSBQOAIZZQPW-OUCADQQQSA-N -1 3 331.441 3.613 20 0 EHADHM CCOCc1ccccc1CNCc1ccc(C(=O)[O-])c(Cl)c1 ZINC000902112192 980740505 /nfs/dbraw/zinc/74/05/05/980740505.db2.gz SVUCWWLBGYIXRT-UHFFFAOYSA-N -1 3 333.815 3.865 20 0 EHADHM CC(C)(C)[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1ccc(F)cc1 ZINC001625788490 1014679805 /nfs/dbraw/zinc/67/98/05/1014679805.db2.gz WKPRAEVNOLORNI-KRWDZBQOSA-N -1 3 345.370 3.777 20 0 EHADHM C[C@H]1CN(Cc2ccc(C(=O)[O-])c(Br)c2)CC[C@@H]1C ZINC000902282733 980816329 /nfs/dbraw/zinc/81/63/29/980816329.db2.gz UFMSOIZUCSLTKM-QWRGUYRKSA-N -1 3 326.234 3.625 20 0 EHADHM Cc1ccc(SC[C@@H](C)NCc2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC000902330728 980835777 /nfs/dbraw/zinc/83/57/77/980835777.db2.gz AHAGPXQDGKBKKX-JKEYDSJLSA-N -1 3 331.437 3.956 20 0 EHADHM C[C@H](CC(C)(C)CC(=O)[O-])NCc1c(F)cccc1OC(F)F ZINC000902340148 980840136 /nfs/dbraw/zinc/84/01/36/980840136.db2.gz LUJGSAFIIAIQLA-SNVBAGLBSA-N -1 3 333.350 3.796 20 0 EHADHM CC(C)[C@@H](NCc1ccc(OCC(=O)[O-])cc1)c1ccccc1F ZINC000902381366 980864108 /nfs/dbraw/zinc/86/41/08/980864108.db2.gz MJRJAEBWPDRBCX-LJQANCHMSA-N -1 3 331.387 3.776 20 0 EHADHM O=C([O-])c1ccc(-c2ccc(CNCCOCC3CCC3)o2)cc1 ZINC000902469991 980902240 /nfs/dbraw/zinc/90/22/40/980902240.db2.gz WXBDEBGTDRHWFW-UHFFFAOYSA-N -1 3 329.396 3.551 20 0 EHADHM C[C@H]1CC[C@H](C)N(Cc2ccc(C(=O)[O-])c(Br)c2)C1 ZINC000902525412 980921819 /nfs/dbraw/zinc/92/18/19/980921819.db2.gz UCMUYRURRDIWMV-QWRGUYRKSA-N -1 3 326.234 3.768 20 0 EHADHM CC[C@@H](OCCN1CCc2cc(C(=O)[O-])ccc2C1)c1ccccc1 ZINC000903617347 980995604 /nfs/dbraw/zinc/99/56/04/980995604.db2.gz UENJMCVHPACBQF-HXUWFJFHSA-N -1 3 339.435 3.911 20 0 EHADHM O=C([O-])c1cccc(CN2C[C@@H]3C[C@]3(c3ccccc3)C2)c1Cl ZINC000903626769 981002892 /nfs/dbraw/zinc/00/28/92/981002892.db2.gz IOIKJWVHIDBQRC-HNAYVOBHSA-N -1 3 327.811 3.812 20 0 EHADHM CCCOc1ccc(CN[C@H](CC(=O)[O-])c2ccc(OC)cc2)cc1 ZINC000683171195 1014726277 /nfs/dbraw/zinc/72/62/77/1014726277.db2.gz GJRVFBQJALYLDF-LJQANCHMSA-N -1 3 343.423 3.790 20 0 EHADHM CCCCC[C@@H]1CCCCN1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001595690481 982196535 /nfs/dbraw/zinc/19/65/35/982196535.db2.gz PGFDNSTWXIXDLR-QGZVFWFLSA-N -1 3 332.444 3.758 20 0 EHADHM CCCOc1ccc(CN[C@@H](CC)c2ccc(C(=O)[O-])cc2)cn1 ZINC001595960493 983152432 /nfs/dbraw/zinc/15/24/32/983152432.db2.gz GFZIYQYVSDPNMY-KRWDZBQOSA-N -1 3 328.412 3.810 20 0 EHADHM CCO[C@@H]1C[C@H](N(C)Cc2cc(C(=O)[O-])c(CC)[nH]2)C12CCCCC2 ZINC001596811377 985363131 /nfs/dbraw/zinc/36/31/31/985363131.db2.gz UDJYWNOJRCLOGZ-ZWKOTPCHSA-N -1 3 348.487 3.835 20 0 EHADHM Cc1[nH]c(C(=O)[C@@H](C)N2CCC[C@@H](C3CCCC3)C2)c(C)c1C(=O)[O-] ZINC001599943364 985483392 /nfs/dbraw/zinc/48/33/92/985483392.db2.gz BRGWFQFBMDRICA-GDBMZVCRSA-N -1 3 346.471 3.803 20 0 EHADHM Cc1[nH]c(C(=O)[C@H](C)N2CCC[C@@H](C3CCCC3)C2)c(C)c1C(=O)[O-] ZINC001599943365 985483747 /nfs/dbraw/zinc/48/37/47/985483747.db2.gz BRGWFQFBMDRICA-GOEBONIOSA-N -1 3 346.471 3.803 20 0 EHADHM Cc1[nH]c(C(=O)[C@H](C)N[C@@H](C)[C@@H](C)c2ccccc2)c(C)c1C(=O)[O-] ZINC001599946820 985540869 /nfs/dbraw/zinc/54/08/69/985540869.db2.gz WZDLQEQGNSXYSU-ZLDLUXBVSA-N -1 3 342.439 3.683 20 0 EHADHM CCSc1cccc(F)c1[N-]C(=O)c1cc2c(cc1OC)OCO2 ZINC000484929087 1032113994 /nfs/dbraw/zinc/11/39/94/1032113994.db2.gz WXVYKIHFUZUTCV-UHFFFAOYSA-N -1 3 349.383 3.927 20 0 EHADHM CC(C)(C)[C@H](CC(=O)[O-])NCc1coc(-c2c(F)cccc2F)n1 ZINC001589710250 987832851 /nfs/dbraw/zinc/83/28/51/987832851.db2.gz KAKOTNQBXKBNSV-ZDUSSCGKSA-N -1 3 338.354 3.599 20 0 EHADHM CSC[C@H]1CCCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC001599794098 988064567 /nfs/dbraw/zinc/06/45/67/988064567.db2.gz HNWMSNGWDDYECC-IINYFYTJSA-N -1 3 331.840 3.680 20 0 EHADHM CCc1nc([C@@H](C)N[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])cs1 ZINC001597655756 988704505 /nfs/dbraw/zinc/70/45/05/988704505.db2.gz FQWDOTPXLHAADG-MFKMUULPSA-N -1 3 338.860 3.705 20 0 EHADHM CC(C)(C)c1ccncc1CN[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001590515590 990128305 /nfs/dbraw/zinc/12/83/05/990128305.db2.gz SZJRPUAIGWMYOI-MRXNPFEDSA-N -1 3 332.831 3.948 20 0 EHADHM CC(C)(NCc1cc(C(=O)[O-])c2n1CCCC2)c1ccc(F)cc1 ZINC001590871513 990778254 /nfs/dbraw/zinc/77/82/54/990778254.db2.gz XUQABRMYBITGCK-UHFFFAOYSA-N -1 3 330.403 3.687 20 0 EHADHM COc1cccc2cc([C@H](C)NCc3ccccc3CC(=O)[O-])oc21 ZINC001599693669 991112681 /nfs/dbraw/zinc/11/26/81/991112681.db2.gz ZLJJNIZVGRDLTR-ZDUSSCGKSA-N -1 3 339.391 3.919 20 0 EHADHM COc1ccccc1[C@@H](CC(C)C)NCc1cc(C(=O)[O-])c(C)n1C ZINC001599697041 991163535 /nfs/dbraw/zinc/16/35/35/991163535.db2.gz BDLHQLINKDHYAN-GOSISDBHSA-N -1 3 344.455 3.917 20 0 EHADHM CC(C)C1CCC(N2CCN([C@@H](C)c3ccc(C(=O)[O-])o3)CC2)CC1 ZINC001591082228 991597519 /nfs/dbraw/zinc/59/75/19/991597519.db2.gz QXBIEGLLXNCCAQ-GTPINHCMSA-N -1 3 348.487 3.871 20 0 EHADHM CC(C)CN(Cc1cccc(C(=O)[O-])n1)[C@@H]1CCCc2cccnc21 ZINC001591344239 992329530 /nfs/dbraw/zinc/32/95/30/992329530.db2.gz RWVFBEBFFPOKKD-GOSISDBHSA-N -1 3 339.439 3.710 20 0 EHADHM Cn1c2ccccc2nc1[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC000536684930 1032127730 /nfs/dbraw/zinc/12/77/30/1032127730.db2.gz JKUUTUFQVYAFQS-QGZVFWFLSA-N -1 3 335.407 3.646 20 0 EHADHM C[C@@H](N[C@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 ZINC001593190356 994120240 /nfs/dbraw/zinc/12/02/40/994120240.db2.gz MPKDAFGMTQXIQQ-HWPZZCPQSA-N -1 3 333.771 3.545 20 0 EHADHM C[C@H](N[C@@H]1c2ccccc2CC12CCOCC2)c1ccc(C(=O)[O-])o1 ZINC001593234184 994398709 /nfs/dbraw/zinc/39/87/09/994398709.db2.gz WKHOJZXBAVGMGO-SCLBCKFNSA-N -1 3 341.407 3.723 20 0 EHADHM C[C@@H](NC[C@H](O)c1ccc2ccccc2c1)c1cc(C(=O)[O-])co1 ZINC001593246344 994450235 /nfs/dbraw/zinc/45/02/35/994450235.db2.gz KKRBQHVZAXWOGE-PXAZEXFGSA-N -1 3 325.364 3.515 20 0 EHADHM COc1cccc([C@@H](N[C@@H](C)c2cccc(OC(C)C)c2)C(=O)[O-])c1 ZINC001599656810 994593325 /nfs/dbraw/zinc/59/33/25/994593325.db2.gz KQOCMPYTTDWKMX-IFXJQAMLSA-N -1 3 343.423 3.959 20 0 EHADHM C[C@@H](NCC[C@@H]1C[C@H]1Cc1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001593274970 994627578 /nfs/dbraw/zinc/62/75/78/994627578.db2.gz PMJBDWFGBVLHSK-BPLDGKMQSA-N -1 3 330.453 3.761 20 0 EHADHM COc1cccc([C@H](N[C@@H](C)c2ccccc2SC)C(=O)[O-])c1 ZINC001599660733 994651281 /nfs/dbraw/zinc/65/12/81/994651281.db2.gz WHMOIUALOSKFPU-SJCJKPOMSA-N -1 3 331.437 3.894 20 0 EHADHM C[C@@H](NCc1c[nH]c(C(=O)[O-])c1)c1ccc(Oc2cccnc2)cc1 ZINC001593288151 994652356 /nfs/dbraw/zinc/65/23/56/994652356.db2.gz CIUPZUXWHBVUPN-CYBMUJFWSA-N -1 3 337.379 3.751 20 0 EHADHM COc1cccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1C ZINC001599674701 994878136 /nfs/dbraw/zinc/87/81/36/994878136.db2.gz WMDGJNWYBBXABC-INIZCTEOSA-N -1 3 337.778 3.712 20 0 EHADHM C[C@H](Oc1ccc(CN2Cc3ccccc3C(C)(C)C2)cc1)C(=O)[O-] ZINC001593616171 995844619 /nfs/dbraw/zinc/84/46/19/995844619.db2.gz ZERIPANKVMEMFV-HNNXBMFYSA-N -1 3 339.435 3.832 20 0 EHADHM C[C@H](Oc1ccccc1CN[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001593645978 995979509 /nfs/dbraw/zinc/97/95/09/995979509.db2.gz NLHUJAOHZIKDPA-KSSFIOAISA-N -1 3 325.408 3.706 20 0 EHADHM COc1ccc([C@@H](NCc2ccc(F)c(C)c2)C(=O)[O-])cc1Cl ZINC001599531276 997657914 /nfs/dbraw/zinc/65/79/14/997657914.db2.gz JEPRQUJUZQSQQE-MRXNPFEDSA-N -1 3 337.778 3.712 20 0 EHADHM CO[C@H]1CCN([C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CC1(C)C ZINC001599122091 997756756 /nfs/dbraw/zinc/75/67/56/997756756.db2.gz HSYNYBNVKKUCOA-UONOGXRCSA-N -1 3 345.361 3.578 20 0 EHADHM CO[C@H]1CCN([C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CC1(C)C ZINC001599122061 997757122 /nfs/dbraw/zinc/75/71/22/997757122.db2.gz HSYNYBNVKKUCOA-KBPBESRZSA-N -1 3 345.361 3.578 20 0 EHADHM COc1cc(C)ccc1CNCc1cccc([O-])c1Br ZINC000459450972 1032141751 /nfs/dbraw/zinc/14/17/51/1032141751.db2.gz URIRFCSPLNSUTK-UHFFFAOYSA-N -1 3 336.229 3.762 20 0 EHADHM CCN(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@H](C)Cc1ccsc1 ZINC000275227216 1016173206 /nfs/dbraw/zinc/17/32/06/1016173206.db2.gz OPGJXUAUIQARHS-GFCCVEGCSA-N -1 3 346.452 3.505 20 0 EHADHM COc1cccc(-c2nc(-c3ccc(Cl)cc3OC)no2)c1[O-] ZINC000323039323 1016328435 /nfs/dbraw/zinc/32/84/35/1016328435.db2.gz ABSAGYKGZTVMHM-UHFFFAOYSA-N -1 3 332.743 3.780 20 0 EHADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCc1ccco1 ZINC000460938172 1032150776 /nfs/dbraw/zinc/15/07/76/1032150776.db2.gz VTSYTDCORZTKFL-UHFFFAOYSA-N -1 3 339.800 3.509 20 0 EHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)[C@@H](C)C(C)(C)C)nc21 ZINC001266467593 1016863946 /nfs/dbraw/zinc/86/39/46/1016863946.db2.gz ZMPKMMZAEQAJIX-GHMZBOCLSA-N -1 3 331.416 3.606 20 0 EHADHM COc1ncc(-c2noc(C=C([O-])c3ccccc3Cl)n2)cc1C ZINC001211647153 1016883311 /nfs/dbraw/zinc/88/33/11/1016883311.db2.gz IUONMKJYVIEJDG-UHFFFAOYSA-N -1 3 343.770 3.527 20 0 EHADHM COc1cccc(F)c1C(=O)Nc1cc(Br)ccc1[O-] ZINC000340314862 1016926088 /nfs/dbraw/zinc/92/60/88/1016926088.db2.gz NYGPNDSNRGMGDJ-UHFFFAOYSA-N -1 3 340.148 3.555 20 0 EHADHM Cc1ccc2nc(-c3cc(F)cc(Br)c3)[n-]c(=O)c2c1 ZINC000080715721 1032171056 /nfs/dbraw/zinc/17/10/56/1032171056.db2.gz XWMFNVPEBOJWQS-UHFFFAOYSA-N -1 3 333.160 3.800 20 0 EHADHM COc1ccccc1NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000905025133 1032328460 /nfs/dbraw/zinc/32/84/60/1032328460.db2.gz QFDRBEKZDVQYQO-UHFFFAOYSA-N -1 3 349.412 3.751 20 0 EHADHM COC(=O)c1[n-]cnc1NC(=O)c1csc(C2CCCCC2)c1 ZINC000905221106 1032387702 /nfs/dbraw/zinc/38/77/02/1032387702.db2.gz WPIZCZSQDVGZQU-UHFFFAOYSA-N -1 3 333.413 3.558 20 0 EHADHM COC(=O)c1nc[n-]c1NC(=O)c1csc(C2CCCCC2)c1 ZINC000905221106 1032387713 /nfs/dbraw/zinc/38/77/13/1032387713.db2.gz WPIZCZSQDVGZQU-UHFFFAOYSA-N -1 3 333.413 3.558 20 0 EHADHM Cc1nn(C)c2cc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)ccc12 ZINC000461343024 1032408900 /nfs/dbraw/zinc/40/89/00/1032408900.db2.gz PODVZOYAONZHPF-UHFFFAOYSA-N -1 3 343.452 3.608 20 0 EHADHM CC(C)(NCc1cc(=O)[n-]c(C2CC2)n1)c1nc2ccccc2s1 ZINC000528601855 1032488564 /nfs/dbraw/zinc/48/85/64/1032488564.db2.gz HVGBZGRMDDVYTA-UHFFFAOYSA-N -1 3 340.452 3.694 20 0 EHADHM Cc1ccc([C@@H]2CCCCN2C(=O)N=c2cc3ccccn3[n-]2)cc1 ZINC000584428969 1032536071 /nfs/dbraw/zinc/53/60/71/1032536071.db2.gz CIGQGGTZKYOCOL-SFHVURJKSA-N -1 3 334.423 3.824 20 0 EHADHM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1cccc2n[n-]nc21 ZINC000188383197 1017149613 /nfs/dbraw/zinc/14/96/13/1017149613.db2.gz UCJMVFSSDLPCHE-CQSZACIVSA-N -1 3 349.438 3.897 20 0 EHADHM CCc1cccc(C(=O)N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c1[O-] ZINC000092224544 1032730357 /nfs/dbraw/zinc/73/03/57/1032730357.db2.gz ZHUBXLQSLKIBMP-RZFZLAGVSA-N -1 3 345.464 3.525 20 0 EHADHM CCc1nc(C)c(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)o1 ZINC000479213578 1018428014 /nfs/dbraw/zinc/42/80/14/1018428014.db2.gz HPCGEOQPCBOYGS-UHFFFAOYSA-N -1 3 348.815 3.970 20 0 EHADHM COc1cc(C(=O)N2CC[C@H](C)C[C@H]2c2ccco2)cc(OC)c1[O-] ZINC000163808597 1018528219 /nfs/dbraw/zinc/52/82/19/1018528219.db2.gz XYYBIGDYICBVJZ-JSGCOSHPSA-N -1 3 345.395 3.616 20 0 EHADHM COC(=O)c1cc(F)ccc1COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000728989661 1019138174 /nfs/dbraw/zinc/13/81/74/1019138174.db2.gz CKZUZFCSTBAQJQ-UHFFFAOYSA-N -1 3 346.141 3.604 20 0 EHADHM [O-]c1cccc(CNc2cccc3nccnc32)c1Br ZINC001203433973 1019158589 /nfs/dbraw/zinc/15/85/89/1019158589.db2.gz LZUNLEMKLQDLSG-UHFFFAOYSA-N -1 3 330.185 3.710 20 0 EHADHM C[C@H](CCC[C@H](C)C(=O)[O-])NCc1cc(F)ccc1Br ZINC000087678354 1019383831 /nfs/dbraw/zinc/38/38/31/1019383831.db2.gz UUOUBXQDMHOHFL-WDEREUQCSA-N -1 3 346.240 3.957 20 0 EHADHM CSCC1(CCNC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000597985939 1032831077 /nfs/dbraw/zinc/83/10/77/1032831077.db2.gz CDFADQVCXXJIAD-UHFFFAOYSA-N -1 3 325.449 3.504 20 0 EHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1n[nH]c2ccc(F)cc21 ZINC000345377495 1020210165 /nfs/dbraw/zinc/21/01/65/1020210165.db2.gz AEFFBXVDNJKJDE-UHFFFAOYSA-N -1 3 331.322 3.508 20 0 EHADHM C[C@H](C1CC1)n1nccc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000345386223 1020220417 /nfs/dbraw/zinc/22/04/17/1020220417.db2.gz STYULXNFAPBKNJ-GFCCVEGCSA-N -1 3 331.391 3.660 20 0 EHADHM Cc1ccc([O-])c(C(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)c1 ZINC000606933656 1032887158 /nfs/dbraw/zinc/88/71/58/1032887158.db2.gz UTTQSQNJDLIKEC-CQSZACIVSA-N -1 3 344.386 3.683 20 0 EHADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1cnc2ccccc2c1 ZINC000345711653 1020465777 /nfs/dbraw/zinc/46/57/77/1020465777.db2.gz FJJQBGQXQZZENC-UHFFFAOYSA-N -1 3 338.382 3.719 20 0 EHADHM Cc1nc(-c2cccs2)sc1C(=O)Nc1nc(C)ccc1[O-] ZINC000345918416 1020594177 /nfs/dbraw/zinc/59/41/77/1020594177.db2.gz AHCPLNOQOUNPHI-UHFFFAOYSA-N -1 3 331.422 3.841 20 0 EHADHM CCc1cnc(CN(C)C(=O)CCCc2ccc([O-])c(F)c2)s1 ZINC000345944227 1020610850 /nfs/dbraw/zinc/61/08/50/1020610850.db2.gz KIECJFVTPUITIV-UHFFFAOYSA-N -1 3 336.432 3.532 20 0 EHADHM C[C@@H](SCC(=O)Nc1cccc([O-])c1F)c1nc2ccccc2[nH]1 ZINC000128724218 1020686815 /nfs/dbraw/zinc/68/68/15/1020686815.db2.gz QYOCABJCYUNYDN-SNVBAGLBSA-N -1 3 345.399 3.841 20 0 EHADHM CCc1cccc(C(=O)N2Cc3ccc(OC)cc3C3(CC3)C2)c1[O-] ZINC000581343820 1020715560 /nfs/dbraw/zinc/71/55/60/1020715560.db2.gz LTFJSFVXOMDDJN-UHFFFAOYSA-N -1 3 337.419 3.651 20 0 EHADHM CC(C)c1ccc(C(=O)N(C)Cc2ccc3c(c2)OCO3)c([O-])c1 ZINC000048386297 1020748872 /nfs/dbraw/zinc/74/88/72/1020748872.db2.gz VCEUFHLRCKGAIY-UHFFFAOYSA-N -1 3 327.380 3.517 20 0 EHADHM O=C(NCc1ncccc1[O-])N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000471653048 1020851043 /nfs/dbraw/zinc/85/10/43/1020851043.db2.gz IKTWDDZLLCYPKU-SFHVURJKSA-N -1 3 343.402 3.657 20 0 EHADHM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476130895 1032935563 /nfs/dbraw/zinc/93/55/63/1032935563.db2.gz BRWSWYFFUIOIET-SECBINFHSA-N -1 3 343.276 3.956 20 0 EHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2ccc[nH]2)c1Cl ZINC000760406729 1032938268 /nfs/dbraw/zinc/93/82/68/1032938268.db2.gz SKECFNUJIXNIMM-VIFPVBQESA-N -1 3 333.240 3.669 20 0 EHADHM COCc1csc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000656571376 1020941986 /nfs/dbraw/zinc/94/19/86/1020941986.db2.gz AQYUZKBSHFAZJJ-AWEZNQCLSA-N -1 3 343.807 3.603 20 0 EHADHM Cc1ccc2c(Cl)c(C(=O)NCc3ncccc3[O-])sc2c1 ZINC000684351129 1021203576 /nfs/dbraw/zinc/20/35/76/1021203576.db2.gz STYXIBHCCOMTFH-UHFFFAOYSA-N -1 3 332.812 3.894 20 0 EHADHM CCc1ccc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c([O-])c1 ZINC000436801503 1021248779 /nfs/dbraw/zinc/24/87/79/1021248779.db2.gz BVCZVVFSUYIMQG-UHFFFAOYSA-N -1 3 347.418 3.760 20 0 EHADHM CCc1ccc(C(=O)NC2(c3cccc(F)c3)CCOCC2)c([O-])c1 ZINC000436831837 1021263884 /nfs/dbraw/zinc/26/38/84/1021263884.db2.gz HABNQIZKFISZBN-UHFFFAOYSA-N -1 3 343.398 3.529 20 0 EHADHM CCc1ccc(C(=O)Nc2cn(CC(C)C)nc2C(F)F)c([O-])c1 ZINC000436834073 1021266904 /nfs/dbraw/zinc/26/69/04/1021266904.db2.gz XQVKXCJVRVLKPJ-UHFFFAOYSA-N -1 3 337.370 3.997 20 0 EHADHM CCc1ccc(C(=O)N2C[C@H](C)OC[C@H]2c2ccccc2)c([O-])c1 ZINC000436834899 1021269814 /nfs/dbraw/zinc/26/98/14/1021269814.db2.gz RZWGLIIMCOAOGC-KSSFIOAISA-N -1 3 325.408 3.557 20 0 EHADHM CCc1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000436835617 1021270119 /nfs/dbraw/zinc/27/01/19/1021270119.db2.gz BAOCZURSXKXWPY-APWZRJJASA-N -1 3 343.398 3.744 20 0 EHADHM CCc1ccc(C(=O)N(CC(=O)OC(C)(C)C)[C@@H](C)CC)c([O-])c1 ZINC000436827269 1021278080 /nfs/dbraw/zinc/27/80/80/1021278080.db2.gz CZPSWBREMPAOAH-ZDUSSCGKSA-N -1 3 335.444 3.537 20 0 EHADHM O=C([O-])[C@@H]1CCN(Cc2cc(-c3cccs3)on2)[C@@H]2CCCC[C@@H]12 ZINC000656763775 1021295285 /nfs/dbraw/zinc/29/52/85/1021295285.db2.gz HWCILASOISFTCG-RRFJBIMHSA-N -1 3 346.452 3.868 20 0 EHADHM O=C([O-])[C@@H]1CCN(Cc2cccc(Cl)c2F)[C@H]2CCCC[C@@H]12 ZINC000656768384 1021306101 /nfs/dbraw/zinc/30/61/01/1021306101.db2.gz XNUJYPYFQDFANU-GUTXKFCHSA-N -1 3 325.811 3.944 20 0 EHADHM CC(=O)c1cc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)ccc1F ZINC000436858106 1021322213 /nfs/dbraw/zinc/32/22/13/1021322213.db2.gz SPNHGILPLSJPJW-UHFFFAOYSA-N -1 3 343.354 3.700 20 0 EHADHM Cc1ccc(C(=O)Nc2ccc(F)cc2-c2cnn(C)c2)c([O-])c1C ZINC000436913039 1021359125 /nfs/dbraw/zinc/35/91/25/1021359125.db2.gz XTWRUIPJYBNGDU-UHFFFAOYSA-N -1 3 339.370 3.801 20 0 EHADHM COc1ccc([O-])c(-c2nc(-c3cccc(C(F)(F)F)n3)no2)c1 ZINC000436937904 1021400148 /nfs/dbraw/zinc/40/01/48/1021400148.db2.gz HGPWPTUEAMNBDK-UHFFFAOYSA-N -1 3 337.257 3.532 20 0 EHADHM COc1ccc([O-])c(-c2nc([C@@H](OC)c3cccc(Cl)c3)no2)c1 ZINC000436937152 1021400325 /nfs/dbraw/zinc/40/03/25/1021400325.db2.gz DMEKADLGSFYBNH-HNNXBMFYSA-N -1 3 346.770 3.840 20 0 EHADHM COc1cc(-c2nc(-c3ccc4c(c3)CCC4)no2)cc(OC)c1[O-] ZINC000436953867 1021419711 /nfs/dbraw/zinc/41/97/11/1021419711.db2.gz CKGNBAIILKMEMR-UHFFFAOYSA-N -1 3 338.363 3.615 20 0 EHADHM [O-]c1ccc(F)c(CN2CCC(COc3ccccc3)CC2)c1F ZINC000507666701 1021424385 /nfs/dbraw/zinc/42/43/85/1021424385.db2.gz QNICWCSAZDQYSO-UHFFFAOYSA-N -1 3 333.378 3.961 20 0 EHADHM Nc1ccc(SCc2noc(-c3ccccc3[O-])n2)c(Cl)c1 ZINC000436974565 1021430699 /nfs/dbraw/zinc/43/06/99/1021430699.db2.gz ZOFWTNCHOSMUJW-UHFFFAOYSA-N -1 3 333.800 3.970 20 0 EHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cncnc1 ZINC000436988272 1021442354 /nfs/dbraw/zinc/44/23/54/1021442354.db2.gz LDTLOHULAOEUAN-UHFFFAOYSA-N -1 3 348.387 3.711 20 0 EHADHM CCCCOc1ccc(C(=O)N2CC=C(C(F)(F)F)CC2)c([O-])c1 ZINC000436991771 1021449054 /nfs/dbraw/zinc/44/90/54/1021449054.db2.gz ZOZVVHWAKJOFFT-UHFFFAOYSA-N -1 3 343.345 3.906 20 0 EHADHM C[C@H](CN=c1[n-]nc(-c2ccccc2)s1)N(C)Cc1ccccc1 ZINC000518927481 1021694698 /nfs/dbraw/zinc/69/46/98/1021694698.db2.gz NVDNQTAWVJTCLW-OAHLLOKOSA-N -1 3 338.480 3.559 20 0 EHADHM CC(C)(C)OC(=O)CC[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC000416033499 1021833220 /nfs/dbraw/zinc/83/32/20/1021833220.db2.gz LLSGDYQITZYOQN-CQSZACIVSA-N -1 3 333.428 3.509 20 0 EHADHM C/C=C\c1ccc([N-]S(=O)(=O)c2ccc(OCCOC)cc2)cc1 ZINC000516992647 1021926446 /nfs/dbraw/zinc/92/64/46/1021926446.db2.gz OUVBEUQTGBCOKO-ARJAWSKDSA-N -1 3 347.436 3.546 20 0 EHADHM Cc1ccccc1NC(=O)N[N-]C(=O)c1cccc(Cl)c1Cl ZINC000058865474 1033016649 /nfs/dbraw/zinc/01/66/49/1033016649.db2.gz DFNHFNKQOKZAQB-UHFFFAOYSA-N -1 3 338.194 3.768 20 0 EHADHM CCc1ccc([O-])c(C(=O)Nc2ccccc2N[C@H](C)COC)c1 ZINC000437599922 1021972493 /nfs/dbraw/zinc/97/24/93/1021972493.db2.gz 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ZINC000473628706 1022273927 /nfs/dbraw/zinc/27/39/27/1022273927.db2.gz KQZSKUMWYDSDEC-UHFFFAOYSA-N -1 3 326.440 3.679 20 0 EHADHM CC[C@@H]1C[C@@]1(NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cccc(C)c1 ZINC000506168100 1022281581 /nfs/dbraw/zinc/28/15/81/1022281581.db2.gz YNSFGKBMIBRYTB-QRQCRPRQSA-N -1 3 346.430 3.892 20 0 EHADHM O=C([O-])[C@H](CCCNCc1c(F)cccc1F)Cc1ccccc1 ZINC000426656640 1022331675 /nfs/dbraw/zinc/33/16/75/1022331675.db2.gz JFMAWEUYOSLTKB-OAHLLOKOSA-N -1 3 333.378 3.778 20 0 EHADHM CC1(C)CN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)[C@H]1c1cccnc1 ZINC000664816969 1022342717 /nfs/dbraw/zinc/34/27/17/1022342717.db2.gz AZJSYFIUIZRCCN-IBGZPJMESA-N -1 3 346.434 3.827 20 0 EHADHM CCc1nnc([N-]C(=O)c2sc(C)nc2-c2ccccc2)s1 ZINC000015584959 1022517751 /nfs/dbraw/zinc/51/77/51/1022517751.db2.gz VSKYPFCGHARYGT-UHFFFAOYSA-N -1 3 330.438 3.785 20 0 EHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1C[C@H]1c1c(F)cccc1F ZINC000469397763 1022707882 /nfs/dbraw/zinc/70/78/82/1022707882.db2.gz OSQVMGABQJRXPQ-WBMJQRKESA-N -1 3 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343.782 3.586 20 0 EHADHM CC[C@H]1CCC[C@H]1NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000531539130 1027025172 /nfs/dbraw/zinc/02/51/72/1027025172.db2.gz WMPMOFYFFRBLRA-XJKSGUPXSA-N -1 3 340.427 3.858 20 0 EHADHM O=C(CCCc1ccccc1)[N-]OCc1ccc(C(F)(F)F)cn1 ZINC000273145220 1027285989 /nfs/dbraw/zinc/28/59/89/1027285989.db2.gz POAJTINXOMOBRI-UHFFFAOYSA-N -1 3 338.329 3.671 20 0 EHADHM CN(C(=O)c1ccccc1[O-])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273254028 1027339189 /nfs/dbraw/zinc/33/91/89/1027339189.db2.gz DOMQMZFRHSXBNH-CRAIPNDOSA-N -1 3 329.371 3.524 20 0 EHADHM COc1cccc(C(=O)Nc2cccc(SC(F)F)c2)c1[O-] ZINC000303187744 1027491910 /nfs/dbraw/zinc/49/19/10/1027491910.db2.gz LZUUCATWMQHSIU-UHFFFAOYSA-N -1 3 325.336 3.968 20 0 EHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1OC ZINC000006415553 1027509927 /nfs/dbraw/zinc/50/99/27/1027509927.db2.gz VTQZIGYLNQBWBK-UHFFFAOYSA-N -1 3 349.452 3.802 20 0 EHADHM CC[C@@H](C)[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C(F)(F)F ZINC000277868580 1027518839 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Cc1nn(C)c(Cl)c1Cc1noc(-c2ccc(C(C)C)cc2[O-])n1 ZINC000277937373 1028024931 /nfs/dbraw/zinc/02/49/31/1028024931.db2.gz DTPHCBQIZLHHLZ-UHFFFAOYSA-N -1 3 346.818 3.852 20 0 EHADHM CO[C@H]1c2ccccc2C[C@H]1NCc1cccc([O-])c1Br ZINC000414497894 1028068072 /nfs/dbraw/zinc/06/80/72/1028068072.db2.gz VBSQFGUSCIYEOI-PBHICJAKSA-N -1 3 348.240 3.557 20 0 EHADHM O=c1nc(CN2CCC[C@H]2CCc2ccccc2)[n-]c2ccsc21 ZINC000053182091 1028163762 /nfs/dbraw/zinc/16/37/62/1028163762.db2.gz YSMQLNWDODDPQV-HNNXBMFYSA-N -1 3 339.464 3.994 20 0 EHADHM Cc1onc(-c2ccncc2)c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000135142638 1028171773 /nfs/dbraw/zinc/17/17/73/1028171773.db2.gz IZFUENDLUKWRPZ-UHFFFAOYSA-N -1 3 329.743 3.656 20 0 EHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@](C)(F)C3)cc2)cc(=O)[n-]1 ZINC000454277090 1028254544 /nfs/dbraw/zinc/25/45/44/1028254544.db2.gz YNFFGUITHZOZLP-SFHVURJKSA-N -1 3 344.390 3.514 20 0 EHADHM CC[C@@H](C)Oc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000055641953 1028282600 /nfs/dbraw/zinc/28/26/00/1028282600.db2.gz 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CC(C)c1nn(-c2ccccc2)c(Cl)c1C=Cc1nccc(=O)[n-]1 ZINC000131730089 1137859838 /nfs/dbraw/zinc/85/98/38/1137859838.db2.gz QYYXHUPCIXCRPQ-CMDGGOBGSA-N -1 3 340.814 3.903 20 0 EHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCC3(CCCCC3)C2)c1 ZINC000111660126 1137905035 /nfs/dbraw/zinc/90/50/35/1137905035.db2.gz MVIXFXAYPZCJQZ-UHFFFAOYSA-N -1 3 330.428 3.537 20 0 EHADHM CC(C)c1ccc(C(=O)N(C)[C@H]2CCO[C@@H]2c2cccnc2)c([O-])c1 ZINC000331936794 1137926209 /nfs/dbraw/zinc/92/62/09/1137926209.db2.gz RHQXAWZEKCVVRY-PKOBYXMFSA-N -1 3 340.423 3.513 20 0 EHADHM Cc1ccc([O-])c(C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)c1 ZINC000120955977 1137953981 /nfs/dbraw/zinc/95/39/81/1137953981.db2.gz UFUHLWLTQYQFQK-UHFFFAOYSA-N -1 3 326.396 3.856 20 0 EHADHM Cc1csc(C[C@@H]2CCN(C(=O)c3cc([O-])ccc3Cl)C2)n1 ZINC000886224600 1138060839 /nfs/dbraw/zinc/06/08/39/1138060839.db2.gz CZDLLTRWADXETN-NSHDSACASA-N -1 3 336.844 3.515 20 0 EHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@H](C)C(C)C)c2)n1 ZINC000067815693 1138081999 /nfs/dbraw/zinc/08/19/99/1138081999.db2.gz DGUSVFMXYMFPBN-ZDUSSCGKSA-N -1 3 327.428 3.620 20 0 EHADHM Cc1ccc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c([O-])c1 ZINC000092929420 1138233059 /nfs/dbraw/zinc/23/30/59/1138233059.db2.gz ZZADNMZAJNWMRS-SJLPKXTDSA-N -1 3 343.398 3.568 20 0 EHADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccoc1C1CC1 ZINC000337075911 1138461375 /nfs/dbraw/zinc/46/13/75/1138461375.db2.gz CCVUSSOFLWCADZ-UHFFFAOYSA-N -1 3 334.335 3.941 20 0 EHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccoc1C1CC1 ZINC000337075911 1138461376 /nfs/dbraw/zinc/46/13/76/1138461376.db2.gz CCVUSSOFLWCADZ-UHFFFAOYSA-N -1 3 334.335 3.941 20 0 EHADHM CSc1nc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)n[n-]1 ZINC000337263993 1138513254 /nfs/dbraw/zinc/51/32/54/1138513254.db2.gz RWMLZFBWITYRDB-IUCAKERBSA-N -1 3 343.239 3.576 20 0 EHADHM CC(=O)c1ccc(C(=O)NCCC2CCC(F)(F)CC2)cc1[O-] ZINC000890058686 1139308503 /nfs/dbraw/zinc/30/85/03/1139308503.db2.gz OFSXXSDRUVIJSL-UHFFFAOYSA-N -1 3 325.355 3.540 20 0 EHADHM CCc1cc(=O)[n-]c(CN[C@H](C)c2cccc(C(F)(F)F)c2)n1 ZINC000181604469 1139919056 /nfs/dbraw/zinc/91/90/56/1139919056.db2.gz VYUGNMHABAWBKW-SNVBAGLBSA-N -1 3 325.334 3.614 20 0 EHADHM O=C([N-]c1ncn(C2CCCCC2)n1)c1cc(F)c(Cl)cc1F ZINC000182721831 1139988079 /nfs/dbraw/zinc/98/80/79/1139988079.db2.gz KTSYKFNRNRYCCK-UHFFFAOYSA-N -1 3 340.761 3.967 20 0 EHADHM O=C([N-]c1n[nH]c(C2CCC2)n1)c1csc(-c2cccs2)n1 ZINC000184639320 1140112881 /nfs/dbraw/zinc/11/28/81/1140112881.db2.gz STRXSDDMVOZHEC-UHFFFAOYSA-N -1 3 331.426 3.510 20 0 EHADHM C[C@@H]1CN(c2ccccc2NCc2cc([O-])cc(F)c2)C[C@H](C)O1 ZINC000185477024 1140152078 /nfs/dbraw/zinc/15/20/78/1140152078.db2.gz KZPZYAQECQTKEK-OKILXGFUSA-N -1 3 330.403 3.757 20 0 EHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000187365886 1140251688 /nfs/dbraw/zinc/25/16/88/1140251688.db2.gz CVLVRLXLAGQNGO-UHFFFAOYSA-N -1 3 349.381 3.740 20 0 EHADHM CCc1ccc(C(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)c([O-])c1 ZINC000188350672 1140293030 /nfs/dbraw/zinc/29/30/30/1140293030.db2.gz PPFSMHMLVJSKNY-PXAZEXFGSA-N -1 3 331.437 3.618 20 0 EHADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@@H]2c2nc3ccccc3s2)n1 ZINC000192532467 1140537692 /nfs/dbraw/zinc/53/76/92/1140537692.db2.gz QLIPBLYJBJAGIY-TZMCWYRMSA-N -1 3 340.452 3.998 20 0 EHADHM Cc1cccnc1C(F)(F)C(=O)[N-]C(C)(C)c1ccc(F)c(F)c1 ZINC000192686945 1140544337 /nfs/dbraw/zinc/54/43/37/1140544337.db2.gz ZITNMABZNQEPMB-UHFFFAOYSA-N -1 3 340.320 3.812 20 0 EHADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)n1 ZINC000192724551 1140546940 /nfs/dbraw/zinc/54/69/40/1140546940.db2.gz BTOLSGWAUPCRBW-WDEREUQCSA-N -1 3 341.333 3.801 20 0 EHADHM CCC[C@H]1CCc2nc(NC(=O)[N-]OCc3cccnc3)sc2C1 ZINC000194554423 1140614403 /nfs/dbraw/zinc/61/44/03/1140614403.db2.gz GQAFJCBEIVCXEU-LBPRGKRZSA-N -1 3 346.456 3.696 20 0 EHADHM CCOCCC1(CNC(=O)c2cc(=O)c3ccccc3[n-]2)CCCC1 ZINC000268630625 1140964517 /nfs/dbraw/zinc/96/45/17/1140964517.db2.gz KLBMLLBRUZECDU-UHFFFAOYSA-N -1 3 342.439 3.657 20 0 EHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2CCC2CCCC2)c1 ZINC000270065765 1141174516 /nfs/dbraw/zinc/17/45/16/1141174516.db2.gz ROFDJIMYYSVAFV-KRWDZBQOSA-N -1 3 344.455 3.926 20 0 EHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2cccc(F)c2)C(C)C)c1 ZINC000270071013 1141175331 /nfs/dbraw/zinc/17/53/31/1141175331.db2.gz UFDISUGEFHWOCC-UHFFFAOYSA-N -1 3 344.386 3.541 20 0 EHADHM Cc1csc(C(C)(C)[N-]C(=O)C(F)(F)c2ccccc2F)n1 ZINC000270975189 1141288654 /nfs/dbraw/zinc/28/86/54/1141288654.db2.gz KMJIBOBROZGKBV-UHFFFAOYSA-N -1 3 328.359 3.734 20 0 EHADHM COc1ccc(CNCc2cccc([O-])c2Cl)cc1OC(F)F ZINC000339180927 1141520087 /nfs/dbraw/zinc/52/00/87/1141520087.db2.gz YSRHJYONMPLEFU-UHFFFAOYSA-N -1 3 343.757 3.945 20 0 EHADHM Cc1nn(-c2ccc(F)cc2)cc1CNCc1cccc([O-])c1Cl ZINC000339182455 1141520759 /nfs/dbraw/zinc/52/07/59/1141520759.db2.gz LLDKHPOHLJIKPP-UHFFFAOYSA-N -1 3 345.805 3.969 20 0 EHADHM COc1cccc(-c2nc(C(=O)[N-]c3ccc(Cl)cc3F)no2)c1 ZINC000349079210 1141634780 /nfs/dbraw/zinc/63/47/80/1141634780.db2.gz GZLMRARPSQANEI-UHFFFAOYSA-N -1 3 347.733 3.790 20 0 EHADHM C[C@H](OC(=O)c1ccc([O-])cc1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000011078128 211201824 /nfs/dbraw/zinc/20/18/24/211201824.db2.gz QXUWXVLKJFSGBV-PGBBXINNSA-N -1 3 328.408 3.723 20 0 EHADHM CCC(CC)c1nnc([N-]C(=O)c2cnc3ccccc3n2)s1 ZINC000039515596 521637063 /nfs/dbraw/zinc/63/70/63/521637063.db2.gz UCYHNVHDIFDIET-UHFFFAOYSA-N -1 3 327.413 3.637 20 0 EHADHM C[C@@H]1CCC[C@@H](C)N1Cc1cc(C(=O)[O-])ccc1Br ZINC000675073773 564112909 /nfs/dbraw/zinc/11/29/09/564112909.db2.gz UFMLLXKNKBVBQF-GHMZBOCLSA-N -1 3 326.234 3.910 20 0 EHADHM Clc1ccc2c(c1Cl)CC[C@@H]2Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737573329 598829605 /nfs/dbraw/zinc/82/96/05/598829605.db2.gz JUXXVCIVGIRAHD-LBPRGKRZSA-N -1 3 347.209 3.668 20 0 EHADHM Clc1ccc2c(c1Cl)CC[C@@H]2Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737573329 598829606 /nfs/dbraw/zinc/82/96/06/598829606.db2.gz JUXXVCIVGIRAHD-LBPRGKRZSA-N -1 3 347.209 3.668 20 0 EHADHM c1csc(C2(CNc3ccc(-c4nnn[n-]4)cn3)CCCCC2)c1 ZINC000738452621 598856551 /nfs/dbraw/zinc/85/65/51/598856551.db2.gz RLDLZYKHYWPKSP-UHFFFAOYSA-N -1 3 340.456 3.637 20 0 EHADHM c1csc(C2(CNc3ccc(-c4nn[n-]n4)cn3)CCCCC2)c1 ZINC000738452621 598856553 /nfs/dbraw/zinc/85/65/53/598856553.db2.gz RLDLZYKHYWPKSP-UHFFFAOYSA-N -1 3 340.456 3.637 20 0 EHADHM c1cc(NCc2ccc(-c3nnn[n-]3)cc2)ccc1COC1CCCC1 ZINC000738412762 598858624 /nfs/dbraw/zinc/85/86/24/598858624.db2.gz MWZXQWVGGNUWKF-UHFFFAOYSA-N -1 3 349.438 3.938 20 0 EHADHM c1cc(NCc2ccc(-c3nn[n-]n3)cc2)ccc1COC1CCCC1 ZINC000738412762 598858627 /nfs/dbraw/zinc/85/86/27/598858627.db2.gz MWZXQWVGGNUWKF-UHFFFAOYSA-N -1 3 349.438 3.938 20 0 EHADHM c1ccc2c(c1)CCC[C@H]2OCCCNc1ccc(-c2nn[n-]n2)cc1 ZINC000738442851 598870484 /nfs/dbraw/zinc/87/04/84/598870484.db2.gz QWOBJBIQKMWMCT-LJQANCHMSA-N -1 3 349.438 3.763 20 0 EHADHM CCO[C@@H](C)c1nc(CSc2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000736616346 598912619 /nfs/dbraw/zinc/91/26/19/598912619.db2.gz NQWMJILNIOUVKS-JTQLQIEISA-N -1 3 347.469 3.713 20 0 EHADHM CCO[C@@H](C)c1nc(CSc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000736616346 598912622 /nfs/dbraw/zinc/91/26/22/598912622.db2.gz NQWMJILNIOUVKS-JTQLQIEISA-N -1 3 347.469 3.713 20 0 EHADHM Cc1ccccc1C[C@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC000737428448 598943013 /nfs/dbraw/zinc/94/30/13/598943013.db2.gz XGZSZYUZESIMCT-OAHLLOKOSA-N -1 3 337.402 3.526 20 0 EHADHM Cc1ccccc1C[C@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC000737428448 598943015 /nfs/dbraw/zinc/94/30/15/598943015.db2.gz XGZSZYUZESIMCT-OAHLLOKOSA-N -1 3 337.402 3.526 20 0 EHADHM C[C@@]1(c2ccccc2)C[C@H]1Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000820633526 599037677 /nfs/dbraw/zinc/03/76/77/599037677.db2.gz BZPJAOYSKCGZIP-XLIONFOSSA-N -1 3 342.406 3.557 20 0 EHADHM C[C@@]1(c2ccccc2)C[C@H]1Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000820633526 599037680 /nfs/dbraw/zinc/03/76/80/599037680.db2.gz BZPJAOYSKCGZIP-XLIONFOSSA-N -1 3 342.406 3.557 20 0 EHADHM C[C@@H]1C[C@H]1[C@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1 ZINC000820668293 599054577 /nfs/dbraw/zinc/05/45/77/599054577.db2.gz RGCKZEKKJJKVQY-QSGSBWRWSA-N -1 3 340.818 3.724 20 0 EHADHM C[C@@H]1C[C@H]1[C@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1 ZINC000820668293 599054579 /nfs/dbraw/zinc/05/45/79/599054579.db2.gz RGCKZEKKJJKVQY-QSGSBWRWSA-N -1 3 340.818 3.724 20 0 EHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000738164354 599070296 /nfs/dbraw/zinc/07/02/96/599070296.db2.gz WWRNVNJPGBNLIX-OLZOCXBDSA-N -1 3 345.834 3.675 20 0 EHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000738164354 599070299 /nfs/dbraw/zinc/07/02/99/599070299.db2.gz WWRNVNJPGBNLIX-OLZOCXBDSA-N -1 3 345.834 3.675 20 0 EHADHM Cc1ccc([C@H]2OCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233557 599108812 /nfs/dbraw/zinc/10/88/12/599108812.db2.gz RGLJLXJKNOIYTH-IEBWSBKVSA-N -1 3 349.438 3.755 20 0 EHADHM O=C(CC1CCC1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000822941035 599145338 /nfs/dbraw/zinc/14/53/38/599145338.db2.gz NSOLXBPCEKZIQL-UHFFFAOYSA-N -1 3 349.394 3.788 20 0 EHADHM O=C(CC1CCC1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000822941035 599145342 /nfs/dbraw/zinc/14/53/42/599145342.db2.gz NSOLXBPCEKZIQL-UHFFFAOYSA-N -1 3 349.394 3.788 20 0 EHADHM O=C(/C=C/C1CC1)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822922509 599147530 /nfs/dbraw/zinc/14/75/30/599147530.db2.gz GVXBLKDOXDZMFM-KGVSQERTSA-N -1 3 347.378 3.564 20 0 EHADHM O=C(/C=C/C1CC1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822922509 599147532 /nfs/dbraw/zinc/14/75/32/599147532.db2.gz GVXBLKDOXDZMFM-KGVSQERTSA-N -1 3 347.378 3.564 20 0 EHADHM COc1cccc(CCCSCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821867385 599226338 /nfs/dbraw/zinc/22/63/38/599226338.db2.gz DWWXORSVDAONEU-UHFFFAOYSA-N -1 3 340.452 3.741 20 0 EHADHM COc1cccc(CCCSCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821867385 599226341 /nfs/dbraw/zinc/22/63/41/599226341.db2.gz DWWXORSVDAONEU-UHFFFAOYSA-N -1 3 340.452 3.741 20 0 EHADHM FC(F)Oc1ccccc1CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737638125 599247286 /nfs/dbraw/zinc/24/72/86/599247286.db2.gz DKCALFYDMSTAGQ-UHFFFAOYSA-N -1 3 334.351 3.760 20 0 EHADHM FC(F)Oc1ccccc1CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737638125 599247288 /nfs/dbraw/zinc/24/72/88/599247288.db2.gz DKCALFYDMSTAGQ-UHFFFAOYSA-N -1 3 334.351 3.760 20 0 EHADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCCCC1 ZINC000820374872 599248772 /nfs/dbraw/zinc/24/87/72/599248772.db2.gz RZGNDCADRIKADW-JTQLQIEISA-N -1 3 348.838 3.610 20 0 EHADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCCCC1 ZINC000820374872 599248774 /nfs/dbraw/zinc/24/87/74/599248774.db2.gz RZGNDCADRIKADW-JTQLQIEISA-N -1 3 348.838 3.610 20 0 EHADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821034289 607285528 /nfs/dbraw/zinc/28/55/28/607285528.db2.gz KDYXWQUKSLZCDM-LRDDRELGSA-N -1 3 342.447 3.608 20 0 EHADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821034289 607285529 /nfs/dbraw/zinc/28/55/29/607285529.db2.gz KDYXWQUKSLZCDM-LRDDRELGSA-N -1 3 342.447 3.608 20 0 EHADHM Cc1cc(F)cc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000822203445 607307165 /nfs/dbraw/zinc/30/71/65/607307165.db2.gz UHZGKPASTYCDAQ-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM Cc1cc(F)cc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000822203445 607307166 /nfs/dbraw/zinc/30/71/66/607307166.db2.gz UHZGKPASTYCDAQ-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM C[C@@H](Nc1cccc(Cl)c1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000820462666 599273620 /nfs/dbraw/zinc/27/36/20/599273620.db2.gz ZPCXMFIRFNVHMR-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@@H](Nc1cccc(Cl)c1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000820462666 599273623 /nfs/dbraw/zinc/27/36/23/599273623.db2.gz ZPCXMFIRFNVHMR-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM Cc1nc2ccccc2c(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737482596 599286082 /nfs/dbraw/zinc/28/60/82/599286082.db2.gz JEUXEZDWGBDLAO-LLVKDONJSA-N -1 3 348.435 3.972 20 0 EHADHM Cc1nc2ccccc2c(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737482596 599286083 /nfs/dbraw/zinc/28/60/83/599286083.db2.gz JEUXEZDWGBDLAO-LLVKDONJSA-N -1 3 348.435 3.972 20 0 EHADHM COc1cccc(CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737131242 599290253 /nfs/dbraw/zinc/29/02/53/599290253.db2.gz AIQNWSOMPDZFQY-LBPRGKRZSA-N -1 3 326.425 3.870 20 0 EHADHM COc1cccc(CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737131242 599290254 /nfs/dbraw/zinc/29/02/54/599290254.db2.gz AIQNWSOMPDZFQY-LBPRGKRZSA-N -1 3 326.425 3.870 20 0 EHADHM COc1cc(C)c([C@@H](C)NCc2cccc(C(=O)[O-])c2)cc1OC ZINC000263504978 598191894 /nfs/dbraw/zinc/19/18/94/598191894.db2.gz WUSAAABYABNLMN-CYBMUJFWSA-N -1 3 329.396 3.561 20 0 EHADHM Cc1ccc([C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)c(C)c1 ZINC000737320764 598391274 /nfs/dbraw/zinc/39/12/74/598391274.db2.gz PEEFDWMZZAGCHP-LLVKDONJSA-N -1 3 328.807 3.705 20 0 EHADHM Cc1ccc([C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)c(C)c1 ZINC000737320764 598391276 /nfs/dbraw/zinc/39/12/76/598391276.db2.gz PEEFDWMZZAGCHP-LLVKDONJSA-N -1 3 328.807 3.705 20 0 EHADHM Cc1c(Br)cccc1NCc1ccccc1-c1nnn[n-]1 ZINC000737204013 598396072 /nfs/dbraw/zinc/39/60/72/598396072.db2.gz XFDYWGCRLVBDJH-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM Cc1c(Br)cccc1NCc1ccccc1-c1nn[n-]n1 ZINC000737204013 598396073 /nfs/dbraw/zinc/39/60/73/598396073.db2.gz XFDYWGCRLVBDJH-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM C[C@@H]1C[C@@H](CC(=O)Nc2sccc2-c2nnn[n-]2)CC(C)(C)C1 ZINC000736227627 598441076 /nfs/dbraw/zinc/44/10/76/598441076.db2.gz LZMXIZGLKVPJCX-MNOVXSKESA-N -1 3 333.461 3.719 20 0 EHADHM C[C@@H]1C[C@@H](CC(=O)Nc2sccc2-c2nn[n-]n2)CC(C)(C)C1 ZINC000736227627 598441077 /nfs/dbraw/zinc/44/10/77/598441077.db2.gz LZMXIZGLKVPJCX-MNOVXSKESA-N -1 3 333.461 3.719 20 0 EHADHM c1ccc(C2CCC(CNc3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000738429400 598504304 /nfs/dbraw/zinc/50/43/04/598504304.db2.gz ZOKSYHJVVFOWLZ-UHFFFAOYSA-N -1 3 334.427 3.648 20 0 EHADHM c1ccc(C2CCC(CNc3ccc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC000738429400 598504306 /nfs/dbraw/zinc/50/43/06/598504306.db2.gz ZOKSYHJVVFOWLZ-UHFFFAOYSA-N -1 3 334.427 3.648 20 0 EHADHM CC/C=C(\C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736408617 598554755 /nfs/dbraw/zinc/55/47/55/598554755.db2.gz FTAPSEURIFLZJE-WLRTZDKTSA-N -1 3 349.394 3.954 20 0 EHADHM CC/C=C(\C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736408617 598554758 /nfs/dbraw/zinc/55/47/58/598554758.db2.gz FTAPSEURIFLZJE-WLRTZDKTSA-N -1 3 349.394 3.954 20 0 EHADHM CC(C)=CC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735680067 598555042 /nfs/dbraw/zinc/55/50/42/598555042.db2.gz REJUXTNVPOWVKC-UHFFFAOYSA-N -1 3 335.367 3.564 20 0 EHADHM CC(C)=CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735680067 598555043 /nfs/dbraw/zinc/55/50/43/598555043.db2.gz REJUXTNVPOWVKC-UHFFFAOYSA-N -1 3 335.367 3.564 20 0 EHADHM CC(C)[C@H](CC(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000735710586 598645595 /nfs/dbraw/zinc/64/55/95/598645595.db2.gz VPIRADYKECFIHY-KRWDZBQOSA-N -1 3 336.395 3.602 20 0 EHADHM CC(C)[C@H](CC(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735710586 598645596 /nfs/dbraw/zinc/64/55/96/598645596.db2.gz VPIRADYKECFIHY-KRWDZBQOSA-N -1 3 336.395 3.602 20 0 EHADHM CC(C)c1ccsc1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000735933014 598709269 /nfs/dbraw/zinc/70/92/69/598709269.db2.gz RPRNHVINJHFPIG-UHFFFAOYSA-N -1 3 346.387 3.548 20 0 EHADHM CC(C)c1ccsc1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000735933014 598709271 /nfs/dbraw/zinc/70/92/71/598709271.db2.gz RPRNHVINJHFPIG-UHFFFAOYSA-N -1 3 346.387 3.548 20 0 EHADHM CCC[C@@H](C)C(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000736422588 598804325 /nfs/dbraw/zinc/80/43/25/598804325.db2.gz JHFRQFAUSVJXNH-LLVKDONJSA-N -1 3 341.440 3.970 20 0 EHADHM CCC[C@@H](C)C(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000736422588 598804327 /nfs/dbraw/zinc/80/43/27/598804327.db2.gz JHFRQFAUSVJXNH-LLVKDONJSA-N -1 3 341.440 3.970 20 0 EHADHM CC[C@@H](CC(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736332795 598818528 /nfs/dbraw/zinc/81/85/28/598818528.db2.gz OIDYBMFRTKHNGG-GJZGRUSLSA-N -1 3 343.475 3.849 20 0 EHADHM CC[C@@H](CC(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736332795 598818529 /nfs/dbraw/zinc/81/85/29/598818529.db2.gz OIDYBMFRTKHNGG-GJZGRUSLSA-N -1 3 343.475 3.849 20 0 EHADHM CC[C@@H](CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C)C(C)C ZINC000736333428 598818848 /nfs/dbraw/zinc/81/88/48/598818848.db2.gz QCBVOGMATWJMDV-INIZCTEOSA-N -1 3 343.475 3.676 20 0 EHADHM CC[C@@H](CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C)C(C)C ZINC000736333428 598818850 /nfs/dbraw/zinc/81/88/50/598818850.db2.gz QCBVOGMATWJMDV-INIZCTEOSA-N -1 3 343.475 3.676 20 0 EHADHM CCOc1cc(F)ccc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736624537 599323861 /nfs/dbraw/zinc/32/38/61/599323861.db2.gz BOKQUIOSWGCGRH-NSHDSACASA-N -1 3 327.363 3.578 20 0 EHADHM CCOc1cc(F)ccc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736624537 599323864 /nfs/dbraw/zinc/32/38/64/599323864.db2.gz BOKQUIOSWGCGRH-NSHDSACASA-N -1 3 327.363 3.578 20 0 EHADHM C[C@@H](SCCOc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187863 599326044 /nfs/dbraw/zinc/32/60/44/599326044.db2.gz CTPHZEFCJQVGND-GFCCVEGCSA-N -1 3 344.415 3.879 20 0 EHADHM C[C@@H](SCCOc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187863 599326047 /nfs/dbraw/zinc/32/60/47/599326047.db2.gz CTPHZEFCJQVGND-GFCCVEGCSA-N -1 3 344.415 3.879 20 0 EHADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc(C(F)(F)F)cc1 ZINC000821736824 607369468 /nfs/dbraw/zinc/36/94/68/607369468.db2.gz OVOVQLQVRBFPNT-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(C(F)(F)F)cc1 ZINC000821736824 607369470 /nfs/dbraw/zinc/36/94/70/607369470.db2.gz OVOVQLQVRBFPNT-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM CSCc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821969978 599374894 /nfs/dbraw/zinc/37/48/94/599374894.db2.gz HYMWHRXXEWCFAP-GFCCVEGCSA-N -1 3 325.441 3.903 20 0 EHADHM CSCc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821969978 599374896 /nfs/dbraw/zinc/37/48/96/599374896.db2.gz HYMWHRXXEWCFAP-GFCCVEGCSA-N -1 3 325.441 3.903 20 0 EHADHM COc1ccc(OCc2ccc(-c3nnn[n-]3)cc2)c2ccccc12 ZINC000821845103 599388442 /nfs/dbraw/zinc/38/84/42/599388442.db2.gz ANUBQKHJSNDLTD-UHFFFAOYSA-N -1 3 332.363 3.608 20 0 EHADHM COc1ccc(OCc2ccc(-c3nn[n-]n3)cc2)c2ccccc12 ZINC000821845103 599388445 /nfs/dbraw/zinc/38/84/45/599388445.db2.gz ANUBQKHJSNDLTD-UHFFFAOYSA-N -1 3 332.363 3.608 20 0 EHADHM C[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccc(Cl)cc1Cl ZINC000820432242 599393409 /nfs/dbraw/zinc/39/34/09/599393409.db2.gz NILMMBHRSKZSHC-QMMMGPOBSA-N -1 3 338.198 3.617 20 0 EHADHM C[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccc(Cl)cc1Cl ZINC000820432242 599393413 /nfs/dbraw/zinc/39/34/13/599393413.db2.gz NILMMBHRSKZSHC-QMMMGPOBSA-N -1 3 338.198 3.617 20 0 EHADHM CC(C)CCOC1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000735820808 599410561 /nfs/dbraw/zinc/41/05/61/599410561.db2.gz WYGSOXBSIZMHLG-UHFFFAOYSA-N -1 3 349.866 3.552 20 0 EHADHM CC(C)CCOC1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000735820808 599410564 /nfs/dbraw/zinc/41/05/64/599410564.db2.gz WYGSOXBSIZMHLG-UHFFFAOYSA-N -1 3 349.866 3.552 20 0 EHADHM Fc1ccc(-c2nn[n-]n2)cc1CNCc1ccc(-c2ccccc2)o1 ZINC000822761299 599455214 /nfs/dbraw/zinc/45/52/14/599455214.db2.gz HEATYOQNJDHNMD-UHFFFAOYSA-N -1 3 349.369 3.556 20 0 EHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N[C@H]1CCc2ccccc21 ZINC000737628007 599519314 /nfs/dbraw/zinc/51/93/14/599519314.db2.gz TUURMWGDRCSACC-AWEZNQCLSA-N -1 3 345.328 3.985 20 0 EHADHM CC[C@H](CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820882004 599534369 /nfs/dbraw/zinc/53/43/69/599534369.db2.gz HKPZZHDEZQIVTL-HUUCEWRRSA-N -1 3 349.438 3.628 20 0 EHADHM CC[C@H](CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820882004 599534371 /nfs/dbraw/zinc/53/43/71/599534371.db2.gz HKPZZHDEZQIVTL-HUUCEWRRSA-N -1 3 349.438 3.628 20 0 EHADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)C1CCC(c2ccccc2)CC1 ZINC000823444821 599621106 /nfs/dbraw/zinc/62/11/06/599621106.db2.gz OUMOYEJUCMVQNP-UHFFFAOYSA-N -1 3 348.406 3.746 20 0 EHADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)C1CCC(c2ccccc2)CC1 ZINC000823444821 599621107 /nfs/dbraw/zinc/62/11/07/599621107.db2.gz OUMOYEJUCMVQNP-UHFFFAOYSA-N -1 3 348.406 3.746 20 0 EHADHM Cc1cscc1NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826321163 607392190 /nfs/dbraw/zinc/39/21/90/607392190.db2.gz STFMNKPASKOZON-UHFFFAOYSA-N -1 3 334.792 3.534 20 0 EHADHM Cc1cscc1NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826321163 607392192 /nfs/dbraw/zinc/39/21/92/607392192.db2.gz STFMNKPASKOZON-UHFFFAOYSA-N -1 3 334.792 3.534 20 0 EHADHM CCSc1ccccc1OC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825674618 607400800 /nfs/dbraw/zinc/40/08/00/607400800.db2.gz OZECOPVQRHPNQF-UHFFFAOYSA-N -1 3 340.408 3.506 20 0 EHADHM CCSc1ccccc1OC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825674618 607400802 /nfs/dbraw/zinc/40/08/02/607400802.db2.gz OZECOPVQRHPNQF-UHFFFAOYSA-N -1 3 340.408 3.506 20 0 EHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000736714002 599867364 /nfs/dbraw/zinc/86/73/64/599867364.db2.gz FPPCWDLVWNPNEL-KZULUSFZSA-N -1 3 347.386 3.624 20 0 EHADHM O=C([O-])c1cccc(CNC2(c3ccc(Br)cc3)CC2)c1 ZINC000740221866 599874566 /nfs/dbraw/zinc/87/45/66/599874566.db2.gz ZQZNOKHRKYKPBP-UHFFFAOYSA-N -1 3 346.224 3.926 20 0 EHADHM CC[C@@H](C)[C@@H](C)N(CC(=O)Nc1cc(C(=O)[O-])ccc1C)C1CC1 ZINC000736871022 600004671 /nfs/dbraw/zinc/00/46/71/600004671.db2.gz NKGCUWBFPIYZQZ-TZMCWYRMSA-N -1 3 332.444 3.531 20 0 EHADHM O=C([O-])c1ccoc1CN1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000740248972 600014748 /nfs/dbraw/zinc/01/47/48/600014748.db2.gz OZEBIVGTHVDLQP-KRWDZBQOSA-N -1 3 349.814 3.577 20 0 EHADHM Cc1cc(CNC2(c3ccccc3)CC2)cc(C)c1OCC(=O)[O-] ZINC000738390260 600086273 /nfs/dbraw/zinc/08/62/73/600086273.db2.gz WICPTSGQNIMPQC-UHFFFAOYSA-N -1 3 325.408 3.546 20 0 EHADHM COCCN(Cc1ccc(C)cc1C)Cc1ccc(F)cc1C(=O)[O-] ZINC000737797758 600090498 /nfs/dbraw/zinc/09/04/98/600090498.db2.gz BOJNMOKALMQGSB-UHFFFAOYSA-N -1 3 345.414 3.789 20 0 EHADHM COc1ccccc1[C@@H]1CCCN1Cc1ccc(F)cc1C(=O)[O-] ZINC000563278158 600102204 /nfs/dbraw/zinc/10/22/04/600102204.db2.gz GPFGWVYABGLHAD-KRWDZBQOSA-N -1 3 329.371 3.870 20 0 EHADHM COc1cc([C@@H](C)N[C@H](C(=O)[O-])c2ccccc2)ccc1OC(C)C ZINC000737869052 600422738 /nfs/dbraw/zinc/42/27/38/600422738.db2.gz YGDNXZROFZATCL-KUHUBIRLSA-N -1 3 343.423 3.959 20 0 EHADHM CCCC[C@@H](COC)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000829286929 600751594 /nfs/dbraw/zinc/75/15/94/600751594.db2.gz XMBDXOZHOKTCRE-SMDDNHRTSA-N -1 3 334.243 3.914 20 0 EHADHM CC[C@@](NCc1cc2c(c(Cl)c1)OCO2)(C(=O)[O-])c1ccccc1 ZINC000828988975 601003520 /nfs/dbraw/zinc/00/35/20/601003520.db2.gz LTCOBQZJBOYMCN-SFHVURJKSA-N -1 3 347.798 3.548 20 0 EHADHM O=C([O-])[C@H](c1ccccc1F)N1CCS[C@H](c2ccccc2)C1 ZINC000833174901 601014703 /nfs/dbraw/zinc/01/47/03/601014703.db2.gz YNFMORWUHARGCQ-IRXDYDNUSA-N -1 3 331.412 3.742 20 0 EHADHM O=C([O-])C1(NCc2csc(CCc3ccccc3)n2)CCCCC1 ZINC000833175573 601839995 /nfs/dbraw/zinc/83/99/95/601839995.db2.gz KGWDSTVOGKIMHU-UHFFFAOYSA-N -1 3 344.480 3.805 20 0 EHADHM CO[C@@H](CN[C@H](C(=O)[O-])c1ccccc1F)c1ccccc1Cl ZINC000831519383 601978511 /nfs/dbraw/zinc/97/85/11/601978511.db2.gz NJZQMYRQOVHGBT-HOTGVXAUSA-N -1 3 337.778 3.582 20 0 EHADHM CCc1nc2c(s1)[C@H](N(C)Cc1ccc(C(=O)[O-])s1)CCC2 ZINC000569700654 602056132 /nfs/dbraw/zinc/05/61/32/602056132.db2.gz DUFDJTXEBFOECJ-GFCCVEGCSA-N -1 3 336.482 3.975 20 0 EHADHM COc1cc(OC)cc([C@@H](N[C@@H](C)c2ccc(C)c(F)c2)C(=O)[O-])c1 ZINC000832048841 602175496 /nfs/dbraw/zinc/17/54/96/602175496.db2.gz BGEBADMQJPYJQD-KPZWWZAWSA-N -1 3 347.386 3.628 20 0 EHADHM Cc1ncccc1CNC[C@@H](NC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000740237062 602335736 /nfs/dbraw/zinc/33/57/36/602335736.db2.gz RBUHMEUYZREUQE-GOSISDBHSA-N -1 3 327.428 3.612 20 0 EHADHM C[C@@H](NC(=O)[O-])C1CCN(Cc2cc(Cl)cc3cccnc32)CC1 ZINC000739012846 602446755 /nfs/dbraw/zinc/44/67/55/602446755.db2.gz AJELODOCNPZWSV-GFCCVEGCSA-N -1 3 347.846 3.756 20 0 EHADHM Cc1ccc(-c2nc(CN[C@H]3CCC[C@H]3CNC(=O)[O-])cs2)cc1 ZINC000830154862 603168352 /nfs/dbraw/zinc/16/83/52/603168352.db2.gz JVMYSZIMPRAYRD-HOCLYGCPSA-N -1 3 345.468 3.644 20 0 EHADHM CCCOc1ccc([C@@H](C)NCc2ccc(NC(=O)[O-])nc2)cc1 ZINC000826934974 603543871 /nfs/dbraw/zinc/54/38/71/603543871.db2.gz JMRJFZDIZKUFOO-CYBMUJFWSA-N -1 3 329.400 3.811 20 0 EHADHM Cc1ccc(OCc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)cc1 ZINC000826292352 607645246 /nfs/dbraw/zinc/64/52/46/607645246.db2.gz RKBBQGMSZLHPAW-UHFFFAOYSA-N -1 3 349.419 3.878 20 0 EHADHM Cc1ccc(OCc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000826292352 607645249 /nfs/dbraw/zinc/64/52/49/607645249.db2.gz RKBBQGMSZLHPAW-UHFFFAOYSA-N -1 3 349.419 3.878 20 0 EHADHM CC[C@@H](N[C@H]1CCCN(C(=O)[O-])C1)c1cc(Cl)ccc1OC ZINC000828983490 604287842 /nfs/dbraw/zinc/28/78/42/604287842.db2.gz WIDRJIMWSIHZQY-GXTWGEPZSA-N -1 3 326.824 3.532 20 0 EHADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1cccc2ccsc21 ZINC000826373473 607687711 /nfs/dbraw/zinc/68/77/11/607687711.db2.gz NKQUUXIYSXMOKY-UHFFFAOYSA-N -1 3 325.372 3.833 20 0 EHADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1cccc2ccsc21 ZINC000826373473 607687713 /nfs/dbraw/zinc/68/77/13/607687713.db2.gz NKQUUXIYSXMOKY-UHFFFAOYSA-N -1 3 325.372 3.833 20 0 EHADHM Cc1cc([C@H](C)N2CCC([C@H](O)c3ccccc3)CC2)oc1C(=O)[O-] ZINC000832870270 604382629 /nfs/dbraw/zinc/38/26/29/604382629.db2.gz GBDVIZAIHGCZAV-KBXCAEBGSA-N -1 3 343.423 3.793 20 0 EHADHM CCCOc1c(Cl)cc(CN2CCC[C@H]2CC(=O)[O-])cc1OC ZINC000833652394 604661328 /nfs/dbraw/zinc/66/13/28/604661328.db2.gz STDFLBXEYGKIBY-ZDUSSCGKSA-N -1 3 341.835 3.577 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C=C1CCC(C)(C)CC1 ZINC000826277030 607711735 /nfs/dbraw/zinc/71/17/35/607711735.db2.gz GINXBRSLRCJNMW-UHFFFAOYSA-N -1 3 325.416 3.640 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C=C1CCC(C)(C)CC1 ZINC000826277030 607711737 /nfs/dbraw/zinc/71/17/37/607711737.db2.gz GINXBRSLRCJNMW-UHFFFAOYSA-N -1 3 325.416 3.640 20 0 EHADHM O=C([O-])c1coc(CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000833340045 604784212 /nfs/dbraw/zinc/78/42/12/604784212.db2.gz RJXUAPQIGLOMNN-GFCCVEGCSA-N -1 3 346.452 3.693 20 0 EHADHM C[C@H](NCc1ccc(CCNC(=O)[O-])cc1)c1cc(F)cc(F)c1 ZINC000825502556 604941623 /nfs/dbraw/zinc/94/16/23/604941623.db2.gz JFCKJXPMLMCGQG-LBPRGKRZSA-N -1 3 334.366 3.626 20 0 EHADHM C[C@@]1(NCc2ncc(-c3cccc(F)c3)o2)CCCC[C@@H]1C(=O)[O-] ZINC000833569589 605071916 /nfs/dbraw/zinc/07/19/16/605071916.db2.gz NXHNJFDUJHIRCV-RDTXWAMCSA-N -1 3 332.375 3.604 20 0 EHADHM C[C@@H](NC(=O)[O-])c1ccc(CN[C@@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000825503176 605118568 /nfs/dbraw/zinc/11/85/68/605118568.db2.gz PKUMBTUTNVVFFR-QWHCGFSZSA-N -1 3 342.395 3.595 20 0 EHADHM Cc1[nH]c2ccccc2c1C(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000822010248 606329117 /nfs/dbraw/zinc/32/91/17/606329117.db2.gz VCWBPOQFHATQMT-UHFFFAOYSA-N -1 3 349.419 3.631 20 0 EHADHM Cc1[nH]c2ccccc2c1C(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000822010248 606329118 /nfs/dbraw/zinc/32/91/18/606329118.db2.gz VCWBPOQFHATQMT-UHFFFAOYSA-N -1 3 349.419 3.631 20 0 EHADHM CC[C@@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000820925120 606441843 /nfs/dbraw/zinc/44/18/43/606441843.db2.gz DQGQHHSURSUEDK-OAHLLOKOSA-N -1 3 327.363 3.578 20 0 EHADHM CC[C@@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000820925120 606441845 /nfs/dbraw/zinc/44/18/45/606441845.db2.gz DQGQHHSURSUEDK-OAHLLOKOSA-N -1 3 327.363 3.578 20 0 EHADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(Cl)s1 ZINC000821412934 606449890 /nfs/dbraw/zinc/44/98/90/606449890.db2.gz UTVOAYIAOOEPPY-UHFFFAOYSA-N -1 3 335.820 3.592 20 0 EHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(Cl)s1 ZINC000821412934 606449891 /nfs/dbraw/zinc/44/98/91/606449891.db2.gz UTVOAYIAOOEPPY-UHFFFAOYSA-N -1 3 335.820 3.592 20 0 EHADHM c1cc([C@@H]2CCCN2c2cc(-c3nnn[n-]3)c3ccccc3n2)cs1 ZINC000823791878 606456103 /nfs/dbraw/zinc/45/61/03/606456103.db2.gz LNUSXGTUWMOSID-INIZCTEOSA-N -1 3 348.435 3.818 20 0 EHADHM c1cc([C@@H]2CCCN2c2cc(-c3nn[n-]n3)c3ccccc3n2)cs1 ZINC000823791878 606456106 /nfs/dbraw/zinc/45/61/06/606456106.db2.gz LNUSXGTUWMOSID-INIZCTEOSA-N -1 3 348.435 3.818 20 0 EHADHM FC(F)Sc1ccc(NCc2ccccc2-c2nnn[n-]2)cc1 ZINC000822737544 606606988 /nfs/dbraw/zinc/60/69/88/606606988.db2.gz ZHBVJIMANZCGCB-UHFFFAOYSA-N -1 3 333.367 3.794 20 0 EHADHM FC(F)Sc1ccc(NCc2ccccc2-c2nn[n-]n2)cc1 ZINC000822737544 606606990 /nfs/dbraw/zinc/60/69/90/606606990.db2.gz ZHBVJIMANZCGCB-UHFFFAOYSA-N -1 3 333.367 3.794 20 0 EHADHM CC[C@@H](C)c1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000820882111 606675335 /nfs/dbraw/zinc/67/53/35/606675335.db2.gz JYIBWBVHURKXFN-GFCCVEGCSA-N -1 3 335.411 3.941 20 0 EHADHM CC[C@@H](C)c1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000820882111 606675336 /nfs/dbraw/zinc/67/53/36/606675336.db2.gz JYIBWBVHURKXFN-GFCCVEGCSA-N -1 3 335.411 3.941 20 0 EHADHM CC(C)(C)c1csc(CSc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000819965346 606703317 /nfs/dbraw/zinc/70/33/17/606703317.db2.gz CLLMBHWIUMTATD-UHFFFAOYSA-N -1 3 331.470 3.913 20 0 EHADHM CC(C)(C)c1csc(CSc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000819965346 606703319 /nfs/dbraw/zinc/70/33/19/606703319.db2.gz CLLMBHWIUMTATD-UHFFFAOYSA-N -1 3 331.470 3.913 20 0 EHADHM CC=C(C=CC(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1)CC ZINC000820827303 606993364 /nfs/dbraw/zinc/99/33/64/606993364.db2.gz RINQWJQYWUVERA-GCRMBOBKSA-N -1 3 339.443 3.518 20 0 EHADHM CC=C(C=CC(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1)CC ZINC000820827303 606993366 /nfs/dbraw/zinc/99/33/66/606993366.db2.gz RINQWJQYWUVERA-GCRMBOBKSA-N -1 3 339.443 3.518 20 0 EHADHM Fc1ccc(CSc2cccc3cccnc32)cc1-c1nnn[n-]1 ZINC000822774312 607007462 /nfs/dbraw/zinc/00/74/62/607007462.db2.gz JVMGPZTWSIZWQN-UHFFFAOYSA-N -1 3 337.383 3.846 20 0 EHADHM Fc1ccc(CSc2cccc3cccnc32)cc1-c1nn[n-]n1 ZINC000822774312 607007464 /nfs/dbraw/zinc/00/74/64/607007464.db2.gz JVMGPZTWSIZWQN-UHFFFAOYSA-N -1 3 337.383 3.846 20 0 EHADHM CC(C)[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccccc1 ZINC000820033837 607014704 /nfs/dbraw/zinc/01/47/04/607014704.db2.gz YMTZBLFZIVQRFE-QGZVFWFLSA-N -1 3 338.436 3.866 20 0 EHADHM CC(C)[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccccc1 ZINC000820033837 607014705 /nfs/dbraw/zinc/01/47/05/607014705.db2.gz YMTZBLFZIVQRFE-QGZVFWFLSA-N -1 3 338.436 3.866 20 0 EHADHM O=C(Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)[C@@H]1CC12CCC2 ZINC000823444678 607113794 /nfs/dbraw/zinc/11/37/94/607113794.db2.gz NHMWKCSOZZKZRC-KRWDZBQOSA-N -1 3 346.390 3.629 20 0 EHADHM O=C(Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)[C@@H]1CC12CCC2 ZINC000823444678 607113796 /nfs/dbraw/zinc/11/37/96/607113796.db2.gz NHMWKCSOZZKZRC-KRWDZBQOSA-N -1 3 346.390 3.629 20 0 EHADHM O=C(CCCc1cccs1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822958957 607189586 /nfs/dbraw/zinc/18/95/86/607189586.db2.gz PMQXRQFQMGXCQZ-UHFFFAOYSA-N -1 3 347.831 3.543 20 0 EHADHM O=C(CCCc1cccs1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822958957 607189587 /nfs/dbraw/zinc/18/95/87/607189587.db2.gz PMQXRQFQMGXCQZ-UHFFFAOYSA-N -1 3 347.831 3.543 20 0 EHADHM CCS[C@H]1CCC[C@H]1Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000821455891 607234970 /nfs/dbraw/zinc/23/49/70/607234970.db2.gz MMMUJCIENOJZFG-CABCVRRESA-N -1 3 340.456 3.501 20 0 EHADHM CCS[C@H]1CCC[C@H]1Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000821455891 607234971 /nfs/dbraw/zinc/23/49/71/607234971.db2.gz MMMUJCIENOJZFG-CABCVRRESA-N -1 3 340.456 3.501 20 0 EHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000826247130 607775249 /nfs/dbraw/zinc/77/52/49/607775249.db2.gz URGMYEPOVPYHHV-SGTLLEGYSA-N -1 3 347.422 3.544 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000826247130 607775250 /nfs/dbraw/zinc/77/52/50/607775250.db2.gz URGMYEPOVPYHHV-SGTLLEGYSA-N -1 3 347.422 3.544 20 0 EHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(SC)cc1 ZINC000825782287 607975697 /nfs/dbraw/zinc/97/56/97/607975697.db2.gz AXDNTJKKTGLJKQ-UHFFFAOYSA-N -1 3 336.424 3.625 20 0 EHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(SC)cc1 ZINC000825782287 607975698 /nfs/dbraw/zinc/97/56/98/607975698.db2.gz AXDNTJKKTGLJKQ-UHFFFAOYSA-N -1 3 336.424 3.625 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(-c2ccoc2)c1 ZINC000826278708 608025031 /nfs/dbraw/zinc/02/50/31/608025031.db2.gz OZFAVONFEIXERZ-UHFFFAOYSA-N -1 3 345.362 3.687 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(-c2ccoc2)c1 ZINC000826278708 608025032 /nfs/dbraw/zinc/02/50/32/608025032.db2.gz OZFAVONFEIXERZ-UHFFFAOYSA-N -1 3 345.362 3.687 20 0 EHADHM CC(C)(C)[C@H]1C[C@H](Nc2c(Cl)cccc2-c2nnn[n-]2)CCO1 ZINC000824079010 608149853 /nfs/dbraw/zinc/14/98/53/608149853.db2.gz MAWJAMIGVGXBGE-ZWNOBZJWSA-N -1 3 335.839 3.526 20 0 EHADHM CC(C)(C)[C@H]1C[C@H](Nc2c(Cl)cccc2-c2nn[n-]n2)CCO1 ZINC000824079010 608149855 /nfs/dbraw/zinc/14/98/55/608149855.db2.gz MAWJAMIGVGXBGE-ZWNOBZJWSA-N -1 3 335.839 3.526 20 0 EHADHM C[C@H](OC(=O)C1(c2ccccc2)CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824714440 608181554 /nfs/dbraw/zinc/18/15/54/608181554.db2.gz MYCFEVVIZPFHKB-AWEZNQCLSA-N -1 3 348.406 3.593 20 0 EHADHM C[C@H](OC(=O)C1(c2ccccc2)CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824714440 608181556 /nfs/dbraw/zinc/18/15/56/608181556.db2.gz MYCFEVVIZPFHKB-AWEZNQCLSA-N -1 3 348.406 3.593 20 0 EHADHM CS[C@@H]1CCC[C@H](Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)C1 ZINC000826227280 608229113 /nfs/dbraw/zinc/22/91/13/608229113.db2.gz ORCABZATMOJYIY-UONOGXRCSA-N -1 3 340.456 3.501 20 0 EHADHM CS[C@@H]1CCC[C@H](Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)C1 ZINC000826227280 608229115 /nfs/dbraw/zinc/22/91/15/608229115.db2.gz ORCABZATMOJYIY-UONOGXRCSA-N -1 3 340.456 3.501 20 0 EHADHM c1ccc(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)nc1 ZINC000826522431 608295206 /nfs/dbraw/zinc/29/52/06/608295206.db2.gz ZNXOQKJWUJAJOB-UHFFFAOYSA-N -1 3 328.379 3.541 20 0 EHADHM c1ccc(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)nc1 ZINC000826522431 608295208 /nfs/dbraw/zinc/29/52/08/608295208.db2.gz ZNXOQKJWUJAJOB-UHFFFAOYSA-N -1 3 328.379 3.541 20 0 EHADHM CCC(CC)[C@H](C)C(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825097663 608346572 /nfs/dbraw/zinc/34/65/72/608346572.db2.gz XXXYNDKHOSTLHG-NSHDSACASA-N -1 3 349.866 3.945 20 0 EHADHM CCC(CC)[C@H](C)C(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825097663 608346574 /nfs/dbraw/zinc/34/65/74/608346574.db2.gz XXXYNDKHOSTLHG-NSHDSACASA-N -1 3 349.866 3.945 20 0 EHADHM Cc1ccc([C@@H]2CCCCN2Cc2cccc(-c3nnn[n-]3)c2F)o1 ZINC000826285789 608397497 /nfs/dbraw/zinc/39/74/97/608397497.db2.gz JTFQFJGYIRPUCO-HNNXBMFYSA-N -1 3 341.390 3.634 20 0 EHADHM Clc1ccc2c(c1Cl)CC[C@@H]2Nc1cnccc1-c1nnn[n-]1 ZINC000826352658 608784152 /nfs/dbraw/zinc/78/41/52/608784152.db2.gz JJLRWWQYWBOSJV-LBPRGKRZSA-N -1 3 347.209 3.668 20 0 EHADHM Clc1ccc2c(c1Cl)CC[C@@H]2Nc1cnccc1-c1nn[n-]n1 ZINC000826352658 608784154 /nfs/dbraw/zinc/78/41/54/608784154.db2.gz JJLRWWQYWBOSJV-LBPRGKRZSA-N -1 3 347.209 3.668 20 0 EHADHM COc1ccc2cc(CNc3cccc(-c4nnn[n-]4)c3)ccc2c1 ZINC000393561909 608870280 /nfs/dbraw/zinc/87/02/80/608870280.db2.gz LNYCWRZDCFMPBN-UHFFFAOYSA-N -1 3 331.379 3.641 20 0 EHADHM COc1ccc2cc(CNc3cccc(-c4nn[n-]n4)c3)ccc2c1 ZINC000393561909 608870285 /nfs/dbraw/zinc/87/02/85/608870285.db2.gz LNYCWRZDCFMPBN-UHFFFAOYSA-N -1 3 331.379 3.641 20 0 EHADHM Cc1cc(N2CCCC2)ccc1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826269465 609158753 /nfs/dbraw/zinc/15/87/53/609158753.db2.gz MYKPNIHXLXJUKY-HNNXBMFYSA-N -1 3 348.454 3.948 20 0 EHADHM C[C@H](Nc1ccc(OCC2CC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824655756 609235118 /nfs/dbraw/zinc/23/51/18/609235118.db2.gz FSVGVUHASOUHNU-ZDUSSCGKSA-N -1 3 335.411 3.829 20 0 EHADHM C[C@H](Nc1ccc(OCC2CC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824655756 609235119 /nfs/dbraw/zinc/23/51/19/609235119.db2.gz FSVGVUHASOUHNU-ZDUSSCGKSA-N -1 3 335.411 3.829 20 0 EHADHM CCOc1ccccc1N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000825653532 609236828 /nfs/dbraw/zinc/23/68/28/609236828.db2.gz DSHUUULHKNIOSL-INIZCTEOSA-N -1 3 335.411 3.755 20 0 EHADHM CCOc1ccccc1N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000825653532 609236830 /nfs/dbraw/zinc/23/68/30/609236830.db2.gz DSHUUULHKNIOSL-INIZCTEOSA-N -1 3 335.411 3.755 20 0 EHADHM CCCOc1ccccc1N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000825341425 609237052 /nfs/dbraw/zinc/23/70/52/609237052.db2.gz CYGBBCPQXXXCQB-LBPRGKRZSA-N -1 3 341.390 3.968 20 0 EHADHM CCCOc1ccccc1N[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000825341425 609237054 /nfs/dbraw/zinc/23/70/54/609237054.db2.gz CYGBBCPQXXXCQB-LBPRGKRZSA-N -1 3 341.390 3.968 20 0 EHADHM Cc1cc2sc(NCc3ccc(-c4nnn[n-]4)s3)nc2c(C)c1 ZINC000826263412 609264707 /nfs/dbraw/zinc/26/47/07/609264707.db2.gz ADHYCHMETNOZLT-UHFFFAOYSA-N -1 3 342.453 3.767 20 0 EHADHM CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C1CC1 ZINC000825059084 609299442 /nfs/dbraw/zinc/29/94/42/609299442.db2.gz CQPLDQFGCKMCKP-MNOVXSKESA-N -1 3 347.850 3.559 20 0 EHADHM CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C1CC1 ZINC000825059084 609299444 /nfs/dbraw/zinc/29/94/44/609299444.db2.gz CQPLDQFGCKMCKP-MNOVXSKESA-N -1 3 347.850 3.559 20 0 EHADHM CCOc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000825642909 609346069 /nfs/dbraw/zinc/34/60/69/609346069.db2.gz FGCQYFSBPQSMAL-NSHDSACASA-N -1 3 327.363 3.578 20 0 EHADHM CCOc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000825642909 609346071 /nfs/dbraw/zinc/34/60/71/609346071.db2.gz FGCQYFSBPQSMAL-NSHDSACASA-N -1 3 327.363 3.578 20 0 EHADHM Cc1nn(-c2ccccc2)cc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826332648 609351433 /nfs/dbraw/zinc/35/14/33/609351433.db2.gz BBIWUPKDAARFBM-CYBMUJFWSA-N -1 3 345.410 3.534 20 0 EHADHM Cc1nn(-c2ccccc2)cc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826332648 609351435 /nfs/dbraw/zinc/35/14/35/609351435.db2.gz BBIWUPKDAARFBM-CYBMUJFWSA-N -1 3 345.410 3.534 20 0 EHADHM Cc1cc(Br)ccc1COc1ccc(-c2nn[n-]n2)cc1 ZINC000826256726 609383648 /nfs/dbraw/zinc/38/36/48/609383648.db2.gz XTJFZDRYEYRLLN-UHFFFAOYSA-N -1 3 345.200 3.517 20 0 EHADHM OCCCCCCSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826509691 609452352 /nfs/dbraw/zinc/45/23/52/609452352.db2.gz FFOKYCUTUOYWQY-UHFFFAOYSA-N -1 3 346.378 3.530 20 0 EHADHM OCCCCCCSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826509691 609452356 /nfs/dbraw/zinc/45/23/56/609452356.db2.gz FFOKYCUTUOYWQY-UHFFFAOYSA-N -1 3 346.378 3.530 20 0 EHADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000825632006 609476399 /nfs/dbraw/zinc/47/63/99/609476399.db2.gz JNBXCQWFBNZEQB-FZMZJTMJSA-N -1 3 339.399 3.594 20 0 EHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000825632006 609476401 /nfs/dbraw/zinc/47/64/01/609476401.db2.gz JNBXCQWFBNZEQB-FZMZJTMJSA-N -1 3 339.399 3.594 20 0 EHADHM Cc1c(NCc2ccc(OC(F)F)c(F)c2)cccc1-c1nnn[n-]1 ZINC000826242180 609486322 /nfs/dbraw/zinc/48/63/22/609486322.db2.gz DGJDQMLQULHZJX-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM Cc1c(NCc2ccc(OC(F)F)c(F)c2)cccc1-c1nn[n-]n1 ZINC000826242180 609486324 /nfs/dbraw/zinc/48/63/24/609486324.db2.gz DGJDQMLQULHZJX-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc2cccc(Cl)c2o1 ZINC000753215924 945267777 /nfs/dbraw/zinc/26/77/77/945267777.db2.gz OOENJTYSKVKHQZ-UHFFFAOYSA-N -1 3 339.742 3.519 20 0 EHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2cccc(Cl)c2o1 ZINC000753215924 945267782 /nfs/dbraw/zinc/26/77/82/945267782.db2.gz OOENJTYSKVKHQZ-UHFFFAOYSA-N -1 3 339.742 3.519 20 0 EHADHM CC(=O)Nc1cccc([C@@H](C)NCc2cc(C(=O)[O-])sc2C)c1 ZINC000323415328 971002097 /nfs/dbraw/zinc/00/20/97/971002097.db2.gz WZVZZHOIFVMNEF-SNVBAGLBSA-N -1 3 332.425 3.564 20 0 EHADHM C[C@@H]1CCC[C@@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)C1 ZINC000736244763 944777014 /nfs/dbraw/zinc/77/70/14/944777014.db2.gz MZZIXQJMLVCCPT-GHMZBOCLSA-N -1 3 345.472 3.572 20 0 EHADHM C[C@@H]1CCC[C@@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C1 ZINC000736244763 944777019 /nfs/dbraw/zinc/77/70/19/944777019.db2.gz MZZIXQJMLVCCPT-GHMZBOCLSA-N -1 3 345.472 3.572 20 0 EHADHM CCCCCN(C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000821056126 945626297 /nfs/dbraw/zinc/62/62/97/945626297.db2.gz LMGJZYZYUZBKMX-CQSZACIVSA-N -1 3 344.463 3.538 20 0 EHADHM CCCCCN(C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000821056126 945626302 /nfs/dbraw/zinc/62/63/02/945626302.db2.gz LMGJZYZYUZBKMX-CQSZACIVSA-N -1 3 344.463 3.538 20 0 EHADHM C[C@@H](N[C@H](C)c1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824529568 946765103 /nfs/dbraw/zinc/76/51/03/946765103.db2.gz HCYUKQOZTFALCN-NXEZZACHSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@@H](N[C@H](C)c1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824529568 946765109 /nfs/dbraw/zinc/76/51/09/946765109.db2.gz HCYUKQOZTFALCN-NXEZZACHSA-N -1 3 347.344 3.696 20 0 EHADHM Cc1[nH]c2c(cc(C)cc2CNc2nccc(C)c2-c2nnn[n-]2)c1C ZINC000826267268 947770431 /nfs/dbraw/zinc/77/04/31/947770431.db2.gz YFYOJGOBPZTNQR-UHFFFAOYSA-N -1 3 347.426 3.589 20 0 EHADHM Cc1[nH]c2c(cc(C)cc2CNc2nccc(C)c2-c2nn[n-]n2)c1C ZINC000826267268 947770440 /nfs/dbraw/zinc/77/04/40/947770440.db2.gz YFYOJGOBPZTNQR-UHFFFAOYSA-N -1 3 347.426 3.589 20 0 EHADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)c1ccccc1F ZINC000826420921 948265598 /nfs/dbraw/zinc/26/55/98/948265598.db2.gz JCTCBMSLYOUNBB-UHFFFAOYSA-N -1 3 348.790 3.634 20 0 EHADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)c1ccccc1F ZINC000826420921 948265611 /nfs/dbraw/zinc/26/56/11/948265611.db2.gz JCTCBMSLYOUNBB-UHFFFAOYSA-N -1 3 348.790 3.634 20 0 EHADHM C[C@H](Sc1ccncc1-c1nnn[n-]1)c1ccc(OC(F)F)cc1 ZINC001575503041 949036759 /nfs/dbraw/zinc/03/67/59/949036759.db2.gz NKGMRFMREGPDPI-VIFPVBQESA-N -1 3 349.366 3.716 20 0 EHADHM C[C@H](Sc1ccncc1-c1nn[n-]n1)c1ccc(OC(F)F)cc1 ZINC001575503041 949036783 /nfs/dbraw/zinc/03/67/83/949036783.db2.gz NKGMRFMREGPDPI-VIFPVBQESA-N -1 3 349.366 3.716 20 0 EHADHM C[C@H]1CCC[C@H]1Nc1cc(C(F)(F)F)c(F)cc1-c1nnn[n-]1 ZINC001576160034 949524031 /nfs/dbraw/zinc/52/40/31/949524031.db2.gz YUKJEAAUOXYXEF-WRWORJQWSA-N -1 3 329.301 3.625 20 0 EHADHM C[C@H]1CCC[C@H]1Nc1cc(C(F)(F)F)c(F)cc1-c1nn[n-]n1 ZINC001576160034 949524047 /nfs/dbraw/zinc/52/40/47/949524047.db2.gz YUKJEAAUOXYXEF-WRWORJQWSA-N -1 3 329.301 3.625 20 0 EHADHM CC(C)(C)Oc1ccc(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1-c1nnn[n-]1 ZINC001573876573 950675437 /nfs/dbraw/zinc/67/54/37/950675437.db2.gz RBOGZXGRCHQAMZ-MCIONIFRSA-N -1 3 341.459 3.892 20 0 EHADHM CC(C)(C)Oc1ccc(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1-c1nn[n-]n1 ZINC001573876573 950675450 /nfs/dbraw/zinc/67/54/50/950675450.db2.gz RBOGZXGRCHQAMZ-MCIONIFRSA-N -1 3 341.459 3.892 20 0 EHADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(N[C@H]2CC23CCCCC3)n1 ZINC001573881265 950751888 /nfs/dbraw/zinc/75/18/88/950751888.db2.gz BXVSDNUCQZOGNL-AWEZNQCLSA-N -1 3 326.448 3.694 20 0 EHADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(N[C@H]2CC23CCCCC3)n1 ZINC001573881265 950751910 /nfs/dbraw/zinc/75/19/10/950751910.db2.gz BXVSDNUCQZOGNL-AWEZNQCLSA-N -1 3 326.448 3.694 20 0 EHADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(OCc2ccsc2Cl)n1 ZINC001573882095 950770774 /nfs/dbraw/zinc/77/07/74/950770774.db2.gz RUFMHJNAUJMJPQ-UHFFFAOYSA-N -1 3 349.847 3.853 20 0 EHADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(OCc2ccsc2Cl)n1 ZINC001573882095 950770784 /nfs/dbraw/zinc/77/07/84/950770784.db2.gz RUFMHJNAUJMJPQ-UHFFFAOYSA-N -1 3 349.847 3.853 20 0 EHADHM C[C@H]1[C@@H](Nc2ncc(C(=O)[O-])cc2Cl)CCN1Cc1ccccc1 ZINC000383497823 971873084 /nfs/dbraw/zinc/87/30/84/971873084.db2.gz XTRGDVKJJLXKRN-LRDDRELGSA-N -1 3 345.830 3.508 20 0 EHADHM Cc1cccc([C@H]2CCCCCN2Cc2cc(C(=O)[O-])nn2C)c1 ZINC001594401531 958859914 /nfs/dbraw/zinc/85/99/14/958859914.db2.gz PXHYMTYXXFKMCB-GOSISDBHSA-N -1 3 327.428 3.544 20 0 EHADHM CC(C)(NCc1coc(-c2cc(Cl)cc(Cl)c2)n1)C(=O)[O-] ZINC001588795167 961379724 /nfs/dbraw/zinc/37/97/24/961379724.db2.gz XXCCEVIHAGUROD-UHFFFAOYSA-N -1 3 329.183 3.601 20 0 EHADHM C[C@]1(CN2CCOc3cc(C(=O)[O-])ccc3C2)C[C@@H]1c1ccccc1 ZINC001551402308 963021953 /nfs/dbraw/zinc/02/19/53/963021953.db2.gz LCJZYJUXGPBKGE-WIYYLYMNSA-N -1 3 337.419 3.773 20 0 EHADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(Sc2ccccn2)o1 ZINC000263306296 967868809 /nfs/dbraw/zinc/86/88/09/967868809.db2.gz HHGOVVNGJPERSA-CHWSQXEVSA-N -1 3 332.425 3.511 20 0 EHADHM O=C([O-])[C@@H]1CN(Cc2ccc(F)c3cccnc23)Cc2ccccc21 ZINC000327159143 968046697 /nfs/dbraw/zinc/04/66/97/968046697.db2.gz WZZDCWVIFXXROC-QGZVFWFLSA-N -1 3 336.366 3.558 20 0 EHADHM Cc1nn(C(C)(C)C)c(C)c1CN[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000417618551 968344186 /nfs/dbraw/zinc/34/41/86/968344186.db2.gz DCGCHRGAHOGXAI-AEFFLSMTSA-N -1 3 341.455 3.658 20 0 EHADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)o1 ZINC000538005940 1032076174 /nfs/dbraw/zinc/07/61/74/1032076174.db2.gz BJBLXLPBLDNPBT-JMPLFQLZSA-N -1 3 339.844 3.917 20 0 EHADHM CC[C@]1(C(=O)[O-])CCCN([C@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000923468954 969651825 /nfs/dbraw/zinc/65/18/25/969651825.db2.gz RMELKXRNTRFYPH-KUHUBIRLSA-N -1 3 343.427 3.683 20 0 EHADHM COc1ccc2ccccc2c1CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405377414 973858547 /nfs/dbraw/zinc/85/85/47/973858547.db2.gz VDEZKCDCJYJGNY-KRWDZBQOSA-N -1 3 325.408 3.535 20 0 EHADHM O=C([O-])c1ccc(CNCc2ccc(OC(F)(F)F)cc2)s1 ZINC001606491142 973973996 /nfs/dbraw/zinc/97/39/96/973973996.db2.gz KUQONBRJFXEOHH-UHFFFAOYSA-N -1 3 331.315 3.635 20 0 EHADHM Cc1ccc(CN[C@H](C(=O)[O-])c2ccsc2)cc1Br ZINC000426832025 974050893 /nfs/dbraw/zinc/05/08/93/974050893.db2.gz HRHKMVRPEGEAOF-ZDUSSCGKSA-N -1 3 340.242 3.735 20 0 EHADHM Cc1cccc2c1ncc(C)c2N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000563212814 974521864 /nfs/dbraw/zinc/52/18/64/974521864.db2.gz ACEFANINRLGUJJ-MRXNPFEDSA-N -1 3 338.329 3.695 20 0 EHADHM Cc1sc(C(=O)[O-])cc1CN1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000566362157 974610344 /nfs/dbraw/zinc/61/03/44/974610344.db2.gz ODTJUISBGSTOHO-WTANOLMUSA-N -1 3 349.496 3.924 20 0 EHADHM CC(C)(C)c1csc(CN2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)n1 ZINC000578875329 974864555 /nfs/dbraw/zinc/86/45/55/974864555.db2.gz MXLBKUGYQKLRKP-HUUCEWRRSA-N -1 3 344.480 3.741 20 0 EHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000579723116 974882132 /nfs/dbraw/zinc/88/21/32/974882132.db2.gz XLMAVUDQAWYHEB-PXWIGAEESA-N -1 3 333.428 3.708 20 0 EHADHM C[C@H]1CCN(CCOc2ccccc2C(=O)[O-])[C@@H](c2ccco2)C1 ZINC000583636397 974943788 /nfs/dbraw/zinc/94/37/88/974943788.db2.gz VJRMDMSINAKLJI-GOEBONIOSA-N -1 3 329.396 3.830 20 0 EHADHM CC(C)O[C@H](CN[C@@](C)(CC(=O)[O-])c1ccccn1)c1ccccc1 ZINC001591686221 975493854 /nfs/dbraw/zinc/49/38/54/975493854.db2.gz JJPQSLIIVFWNQL-XLIONFOSSA-N -1 3 342.439 3.527 20 0 EHADHM O=C([O-])[C@@H]1CCN(Cc2ccc(Cl)cc2F)[C@@H]2CCCC[C@@H]12 ZINC000656763444 975692841 /nfs/dbraw/zinc/69/28/41/975692841.db2.gz FSXUEMGSOFKZMB-SQWLQELKSA-N -1 3 325.811 3.944 20 0 EHADHM C[C@@H](COCc1ccccc1)CN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000719501262 978006327 /nfs/dbraw/zinc/00/63/27/978006327.db2.gz PFYHDYJEGXBEMM-OAHLLOKOSA-N -1 3 325.408 3.553 20 0 EHADHM Cn1cccc1[C@@H]1CCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000034872616 1014456611 /nfs/dbraw/zinc/45/66/11/1014456611.db2.gz IHVDWUHWQBMTSN-HNNXBMFYSA-N -1 3 348.406 3.757 20 0 EHADHM CCC(CC)(CN[C@@H](c1cccnc1)c1ccc(F)cc1F)C(=O)[O-] ZINC001595077709 979355037 /nfs/dbraw/zinc/35/50/37/979355037.db2.gz LFOHPBLCBFWBCY-KRWDZBQOSA-N -1 3 348.393 3.930 20 0 EHADHM C[C@@H](c1ccco1)N(CCOc1ccc(/C=C/C(=O)[O-])cc1)C1CC1 ZINC000846241965 979419808 /nfs/dbraw/zinc/41/98/08/979419808.db2.gz LAPIXJWDSGZQDY-VQCVXAJWSA-N -1 3 341.407 3.982 20 0 EHADHM CC[C@H](CNCc1ccc(C(=O)[O-])cc1F)Oc1ccccc1F ZINC001595168000 979725599 /nfs/dbraw/zinc/72/55/99/979725599.db2.gz JQOJBWJDTCWYNU-CQSZACIVSA-N -1 3 335.350 3.610 20 0 EHADHM Cc1c(Cl)ccc(CN[C@@H](Cc2cncs2)C(=O)[O-])c1Cl ZINC000900045311 980239668 /nfs/dbraw/zinc/23/96/68/980239668.db2.gz FOFGMIDJDHPNTG-LBPRGKRZSA-N -1 3 345.251 3.544 20 0 EHADHM C[C@@H]1SCCN(Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)[C@H]1C ZINC000901433989 980282516 /nfs/dbraw/zinc/28/25/16/980282516.db2.gz OUMOYPDRQKTUGB-STQMWFEESA-N -1 3 331.437 3.971 20 0 EHADHM CC[C@H](N[C@H]1CCOc2c(OC)cccc21)c1ccc(C(=O)[O-])cc1 ZINC001595282524 980342626 /nfs/dbraw/zinc/34/26/26/980342626.db2.gz FYVCFUZVWWSXQP-IRXDYDNUSA-N -1 3 341.407 3.958 20 0 EHADHM CC[C@@H](N[C@H]1CCOc2cc(OC)ccc21)c1ccc(C(=O)[O-])cc1 ZINC001595284524 980358165 /nfs/dbraw/zinc/35/81/65/980358165.db2.gz XLSDFRSAOCULPB-MSOLQXFVSA-N -1 3 341.407 3.958 20 0 EHADHM CO[C@]1(C(=O)[O-])CCN(Cc2ccc(-c3ccccc3)c(Cl)c2)C1 ZINC000901542230 980370948 /nfs/dbraw/zinc/37/09/48/980370948.db2.gz AZEHHTNROOHXSH-LJQANCHMSA-N -1 3 345.826 3.683 20 0 EHADHM CC[C@](NCc1cccc2c1OCC2)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595305351 980445441 /nfs/dbraw/zinc/44/54/41/980445441.db2.gz OUJKNXLHNFDMGU-LJQANCHMSA-N -1 3 345.826 3.755 20 0 EHADHM CC[C@](NCc1ccnc(Cl)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595305510 980447076 /nfs/dbraw/zinc/44/70/76/980447076.db2.gz QMRSFZUOLZJMFS-MRXNPFEDSA-N -1 3 339.222 3.868 20 0 EHADHM CCc1cccc2cc(CN3CC[C@@](C(=O)[O-])(C(F)(F)F)C3)oc21 ZINC000901788596 980518773 /nfs/dbraw/zinc/51/87/73/980518773.db2.gz ISSRNSMYYZCDSB-MRXNPFEDSA-N -1 3 341.329 3.834 20 0 EHADHM O=C([O-])CCCN(Cc1ccccc1)Cc1ccc(C(F)F)nc1 ZINC000901801118 980527451 /nfs/dbraw/zinc/52/74/51/980527451.db2.gz PAURPNGYNFGKBB-UHFFFAOYSA-N -1 3 334.366 3.886 20 0 EHADHM CCOc1cccc(CN[C@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)c1 ZINC000901853432 980578810 /nfs/dbraw/zinc/57/88/10/980578810.db2.gz VNWCSPOJXCHNSK-KRWDZBQOSA-N -1 3 349.814 3.663 20 0 EHADHM COc1ccc([C@H](C)[C@H](C)N[C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000901908207 980621557 /nfs/dbraw/zinc/62/15/57/980621557.db2.gz QOTZUZDKETZRTB-GRYCIOLGSA-N -1 3 334.441 3.693 20 0 EHADHM C[C@H](CN(Cc1ccc(Sc2ccccn2)o1)C1CC1)C(=O)[O-] ZINC000901994932 980674093 /nfs/dbraw/zinc/67/40/93/980674093.db2.gz VSVZNNMXWPUMOZ-GFCCVEGCSA-N -1 3 332.425 3.511 20 0 EHADHM Cc1cc(CN2CCCCC[C@H]2C(=O)[O-])c(Br)cc1F ZINC000902033529 980705625 /nfs/dbraw/zinc/70/56/25/980705625.db2.gz FQOFGJAGPOZGJB-AWEZNQCLSA-N -1 3 344.224 3.726 20 0 EHADHM 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CC[C@@H](C)N1CCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC001594985118 982796127 /nfs/dbraw/zinc/79/61/27/982796127.db2.gz GXUQYYWGMCVROC-IAQYHMDHSA-N -1 3 345.270 3.535 20 0 EHADHM CCCN(Cc1cc(C(=O)[O-])c(C)o1)[C@H]1CCCc2cccnc21 ZINC001595885847 982910687 /nfs/dbraw/zinc/91/06/87/982910687.db2.gz JGXKYYFWUQMMHQ-KRWDZBQOSA-N -1 3 328.412 3.971 20 0 EHADHM CCCN(Cc1ccccc1F)[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC001595891414 982925553 /nfs/dbraw/zinc/92/55/53/982925553.db2.gz RDCQQKSGYXHSDS-SFHVURJKSA-N -1 3 331.387 3.872 20 0 EHADHM CCCOc1ccc(CNCc2[nH]cc(C(=O)[O-])c2C2CC2)c(C)c1 ZINC001595960413 983151147 /nfs/dbraw/zinc/15/11/47/983151147.db2.gz CMSGLXHBIWYCGK-UHFFFAOYSA-N -1 3 342.439 3.977 20 0 EHADHM CCN(Cc1ccncc1)[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC001596375083 983882617 /nfs/dbraw/zinc/88/26/17/983882617.db2.gz GRUNOLUYGMZMBH-OAHLLOKOSA-N -1 3 338.329 3.748 20 0 EHADHM C[C@@H]1SCCN(Cc2ccccc2CC(=O)[O-])[C@@H]1c1ccccc1 ZINC001594664673 986954553 /nfs/dbraw/zinc/95/45/53/986954553.db2.gz WJHAJMGBVXMONM-YWZLYKJASA-N -1 3 341.476 3.992 20 0 EHADHM CCOc1ccccc1[C@H](CC(C)C)NCc1c[nH]c(C(=O)[O-])c1 ZINC001597173456 987018147 /nfs/dbraw/zinc/01/81/47/987018147.db2.gz WCKQOBPQRXVPAA-INIZCTEOSA-N -1 3 330.428 3.989 20 0 EHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000010516277 1015314964 /nfs/dbraw/zinc/31/49/64/1015314964.db2.gz HDYURLLWWJHMSG-UHFFFAOYSA-N -1 3 345.342 3.737 20 0 EHADHM CC(C)(C)CC[C@@H](CO)NCc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001589766978 988119025 /nfs/dbraw/zinc/11/90/25/988119025.db2.gz UPJBFHZKUVGUQG-INIZCTEOSA-N -1 3 345.439 3.922 20 0 EHADHM COc1cc(C(=O)N2CCC[C@H]2CC2CCCC2)cc(OC)c1[O-] ZINC000655363295 1015422658 /nfs/dbraw/zinc/42/26/58/1015422658.db2.gz FTYWNQHUBSJYTB-HNNXBMFYSA-N -1 3 333.428 3.594 20 0 EHADHM CCOc1cc(CNCc2nnc(C(C)C)s2)cc(Cl)c1[O-] ZINC000459432532 1032117508 /nfs/dbraw/zinc/11/75/08/1032117508.db2.gz GDPZGFBOOUEWRU-UHFFFAOYSA-N -1 3 341.864 3.709 20 0 EHADHM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1 ZINC000536678669 1032121614 /nfs/dbraw/zinc/12/16/14/1032121614.db2.gz DZYFXICSGRNHJM-ZDUSSCGKSA-N -1 3 347.436 3.520 20 0 EHADHM CN(CC(=O)Nc1ccccc1C(=O)[O-])C1CC(C)(C)CC(C)(C)C1 ZINC001598399744 991685867 /nfs/dbraw/zinc/68/58/67/991685867.db2.gz BGTIKHCQNQSVFB-UHFFFAOYSA-N -1 3 346.471 3.860 20 0 EHADHM CC(C)CN(Cc1ccc(OCC(=O)[O-])cc1)Cc1ccccc1F ZINC001591343994 992327194 /nfs/dbraw/zinc/32/71/94/992327194.db2.gz KEWRUBFFZNSDCU-UHFFFAOYSA-N -1 3 345.414 3.947 20 0 EHADHM CN(Cc1cc(Cl)cc(Cl)c1N)[C@H](C(=O)[O-])c1ccccc1 ZINC001598507708 992529135 /nfs/dbraw/zinc/52/91/35/992529135.db2.gz TXXXDWLDAXANQS-HNNXBMFYSA-N -1 3 339.222 3.833 20 0 EHADHM CN(Cc1ccoc1C(=O)[O-])[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001598532500 992799550 /nfs/dbraw/zinc/79/95/50/992799550.db2.gz VICZZXNFYUDMCF-HZPDHXFCSA-N -1 3 329.396 3.656 20 0 EHADHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1cnn(CC2CCC2)c1 ZINC000890669648 1015755230 /nfs/dbraw/zinc/75/52/30/1015755230.db2.gz FORJOYAWKDDSIY-NSHDSACASA-N -1 3 333.819 3.533 20 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C[C@H](Oc1ccccc1CN1CC[C@H](C)[C@@H]2CCCC[C@@H]21)C(=O)[O-] ZINC001593646330 995983495 /nfs/dbraw/zinc/98/34/95/995983495.db2.gz WXTQSXGZOZULEW-LAQRGFTBSA-N -1 3 331.456 3.939 20 0 EHADHM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1Nc1cccc(CN2CCSCC2)c1 ZINC001594183798 998711246 /nfs/dbraw/zinc/71/12/46/998711246.db2.gz AGTTYRCXBIZUTE-KYJSFNMBSA-N -1 3 348.512 3.537 20 0 EHADHM CCO[C@H]1C[C@H](NC(=O)c2cc([O-])ccc2Cl)C1(CC)CC ZINC000683381681 1016515272 /nfs/dbraw/zinc/51/52/72/1016515272.db2.gz TVFQUPZJNPYKMJ-GJZGRUSLSA-N -1 3 325.836 3.759 20 0 EHADHM Cc1nc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3C)ccc2[nH]1 ZINC000340155046 1016513436 /nfs/dbraw/zinc/51/34/36/1016513436.db2.gz YGFUWJOOAJRSGD-UHFFFAOYSA-N -1 3 335.816 3.634 20 0 EHADHM CCO[C@@H](C)c1ncc(C(=O)Nc2cc(Cl)ccc2[O-])s1 ZINC000340239962 1016766011 /nfs/dbraw/zinc/76/60/11/1016766011.db2.gz RUIFXYNJVYJWRF-QMMMGPOBSA-N -1 3 326.805 3.852 20 0 EHADHM CSc1nc(NC(=O)c2cc3c(ccc(Cl)c3Cl)[nH]2)n[n-]1 ZINC000340264379 1016817338 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CCc1cccc(C(=O)N2CC[C@@H](COCc3ccccc3)C2)c1[O-] ZINC000081791866 1032365192 /nfs/dbraw/zinc/36/51/92/1032365192.db2.gz XHLFKBAAAXVOLH-QGZVFWFLSA-N -1 3 339.435 3.634 20 0 EHADHM CCc1cccc(C(=O)N2CCC(OC3CCCCC3)CC2)c1[O-] ZINC000081777215 1032365683 /nfs/dbraw/zinc/36/56/83/1032365683.db2.gz REUAEUDQYCPWJB-UHFFFAOYSA-N -1 3 331.456 3.909 20 0 EHADHM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c1F ZINC000537195443 1032553617 /nfs/dbraw/zinc/55/36/17/1032553617.db2.gz YASGFFSEHFDYEH-UHFFFAOYSA-N -1 3 335.400 3.774 20 0 EHADHM C[C@@H](c1ccccc1Br)N1CCC(CC(=O)[O-])CC1 ZINC000093682233 1017094641 /nfs/dbraw/zinc/09/46/41/1017094641.db2.gz SOTATGHXEDYVKX-NSHDSACASA-N -1 3 326.234 3.697 20 0 EHADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000063442198 1017280500 /nfs/dbraw/zinc/28/05/00/1017280500.db2.gz TZZTWEQCRDTRQN-UHFFFAOYSA-N -1 3 349.452 3.520 20 0 EHADHM O=C(NCc1ccc([O-])c(F)c1)N(Cc1ccc(F)cc1)C1CC1 ZINC000163738643 1017819115 /nfs/dbraw/zinc/81/91/15/1017819115.db2.gz HOSMGXVQYYBSHA-UHFFFAOYSA-N -1 3 332.350 3.545 20 0 EHADHM Cc1cc2cc(CNC(=O)CCCc3ccc([O-])c(F)c3)ccc2[nH]1 ZINC000579991601 1018000608 /nfs/dbraw/zinc/00/06/08/1018000608.db2.gz XMOMASNEVSUJPW-UHFFFAOYSA-N -1 3 340.398 3.960 20 0 EHADHM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1c([O-])cccc1O ZINC000092103449 1032769442 /nfs/dbraw/zinc/76/94/42/1032769442.db2.gz PBXQBHBNVZUYAB-UHFFFAOYSA-N -1 3 326.179 3.677 20 0 EHADHM Cc1ncc(S(=O)(=O)[N-]CC2CCC(C(C)(C)C)CC2)s1 ZINC001210740168 1018581822 /nfs/dbraw/zinc/58/18/22/1018581822.db2.gz VCNDDAIJUJQOIM-UHFFFAOYSA-N -1 3 330.519 3.582 20 0 EHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cc(Cl)ccc1OC(F)F ZINC000622734134 1019011928 /nfs/dbraw/zinc/01/19/28/1019011928.db2.gz FYSFRGDIZVWIPZ-UHFFFAOYSA-N -1 3 345.704 3.967 20 0 EHADHM CCSc1ccc(Cl)cc1[N-]C(=S)NC1CCN(C)CC1 ZINC000729162282 1019212955 /nfs/dbraw/zinc/21/29/55/1019212955.db2.gz LACVYVWWKJGLFD-UHFFFAOYSA-N -1 3 343.949 3.833 20 0 EHADHM O=c1cc(CSCc2noc(C3CC3)n2)nc(-c2ccccc2)[n-]1 ZINC000580541478 1019580809 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Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1nc(C)ccc1[O-] ZINC000345930325 1020618931 /nfs/dbraw/zinc/61/89/31/1020618931.db2.gz PNKCBIVEHHQWTF-UHFFFAOYSA-N -1 3 343.383 3.919 20 0 EHADHM O=c1nc(COC[C@H]2CCCO2)[n-]c2sc(-c3ccccc3)cc21 ZINC000656490807 1020719139 /nfs/dbraw/zinc/71/91/39/1020719139.db2.gz OOSDZLOFTTZGKW-CYBMUJFWSA-N -1 3 342.420 3.760 20 0 EHADHM CC(C)c1ccc(C(=O)N2CCC[C@]2(C)C(=O)OC(C)(C)C)c([O-])c1 ZINC001167465419 1020968173 /nfs/dbraw/zinc/96/81/73/1020968173.db2.gz OKPUZZWCGMSIEW-HXUWFJFHSA-N -1 3 347.455 3.852 20 0 EHADHM CCc1cccc(C(=O)N(C)[C@H]2C[C@H](c3cccc(OC)c3)C2)c1[O-] ZINC000581532481 1021062862 /nfs/dbraw/zinc/06/28/62/1021062862.db2.gz BOQCHSNFNLNEJG-QAQDUYKDSA-N -1 3 339.435 3.981 20 0 EHADHM O=C(NCc1cccc(NC(=O)c2ccccc2)c1)c1ccccc1[O-] ZINC000436785404 1021227724 /nfs/dbraw/zinc/22/77/24/1021227724.db2.gz DPFZMUVVJSYENZ-UHFFFAOYSA-N -1 3 346.386 3.575 20 0 EHADHM O=C(NCCc1nc(C2CCCCC2)cs1)c1ccccc1[O-] ZINC000436810913 1021255020 /nfs/dbraw/zinc/25/50/20/1021255020.db2.gz 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ZINC000436888293 1021341350 /nfs/dbraw/zinc/34/13/50/1021341350.db2.gz MYOZWCWJXSKKEX-UHFFFAOYSA-N -1 3 325.349 3.750 20 0 EHADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000436919972 1021375982 /nfs/dbraw/zinc/37/59/82/1021375982.db2.gz FFDZLHUJNOZABW-JTQLQIEISA-N -1 3 339.313 3.950 20 0 EHADHM O=C(NCc1ccc([O-])c(F)c1)N1CC(Cc2ccccc2Cl)C1 ZINC000439357045 1021384258 /nfs/dbraw/zinc/38/42/58/1021384258.db2.gz LUERGPZQJKOFEK-UHFFFAOYSA-N -1 3 348.805 3.569 20 0 EHADHM C[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccccn1 ZINC000436924874 1021384932 /nfs/dbraw/zinc/38/49/32/1021384932.db2.gz GZUDLHSZFPJALE-OAHLLOKOSA-N -1 3 332.403 3.869 20 0 EHADHM Cc1cc(-c2noc(-c3ccc(Cl)cc3[O-])n2)cc2nc[nH]c21 ZINC000436928817 1021388842 /nfs/dbraw/zinc/38/88/42/1021388842.db2.gz CIRLTORJYWGMGP-UHFFFAOYSA-N -1 3 326.743 3.947 20 0 EHADHM O=C(c1ccc(O)cc1[O-])N(Cc1ccc(F)cc1F)C1CCCC1 ZINC000436937874 1021399021 /nfs/dbraw/zinc/39/90/21/1021399021.db2.gz GUHODVVOSQJTKU-UHFFFAOYSA-N -1 3 347.361 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Cc1ccc(C(=O)Nc2nc3cc(Br)ccc3[nH]2)c([O-])c1 ZINC000440399842 1022166114 /nfs/dbraw/zinc/16/61/14/1022166114.db2.gz TWHVOLXFEAJXEG-UHFFFAOYSA-N -1 3 346.184 3.592 20 0 EHADHM C[C@@H](c1ccc(Cl)cc1)[S@@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000520366592 1022169914 /nfs/dbraw/zinc/16/99/14/1022169914.db2.gz CPBDSYDAJSGCEP-MGUXCZDKSA-N -1 3 336.844 3.723 20 0 EHADHM CC(C)C[C@H](C(=O)N=c1cc(-c2ccncc2)[n-][nH]1)c1ccccc1 ZINC000607189753 1033035495 /nfs/dbraw/zinc/03/54/95/1033035495.db2.gz BXGNOYIGCDLDTR-KRWDZBQOSA-N -1 3 334.423 3.662 20 0 EHADHM CCC1(CC)[C@H](NC(=O)c2cc([O-])ccc2Cl)[C@@H](C)[C@@H]1OC ZINC000517267391 1022199983 /nfs/dbraw/zinc/19/99/83/1022199983.db2.gz QAMKNWCYXBMSDD-KMUNFCNLSA-N -1 3 325.836 3.615 20 0 EHADHM Cc1c2ccccc2oc1[C@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000520426414 1022231470 /nfs/dbraw/zinc/23/14/70/1022231470.db2.gz HTYRQCHIAYFLJS-NSHDSACASA-N -1 3 337.379 3.605 20 0 EHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H]1CCCc2occc21 ZINC000471796977 1022254335 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O=C(Nc1nnc(-c2ccccc2)s1)c1cc([O-])ccc1Cl ZINC000517785205 1022680524 /nfs/dbraw/zinc/68/05/24/1022680524.db2.gz VNIXBCVVOHOAAY-UHFFFAOYSA-N -1 3 331.784 3.816 20 0 EHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000469397761 1022705635 /nfs/dbraw/zinc/70/56/35/1022705635.db2.gz OSQVMGABQJRXPQ-BLLLJJGKSA-N -1 3 349.352 3.805 20 0 EHADHM CCCC1CCC(N(C)C(=O)c2cc(NC(C)=O)ccc2[O-])CC1 ZINC000331233602 1022777103 /nfs/dbraw/zinc/77/71/03/1022777103.db2.gz KAMKWRCCLMOKAF-UHFFFAOYSA-N -1 3 332.444 3.782 20 0 EHADHM Cc1nc(C)c(CCC(=O)N2CC[C@H](CC(C)(C)C)C2(C)C)c(=O)[n-]1 ZINC000331360148 1022799973 /nfs/dbraw/zinc/79/99/73/1022799973.db2.gz XLUYJJKUQXHIEK-OAHLLOKOSA-N -1 3 347.503 3.795 20 0 EHADHM O=C([O-])[C@@H](CNCc1c(F)cccc1F)Cc1ccc(Cl)cc1 ZINC000426689180 1022977073 /nfs/dbraw/zinc/97/70/73/1022977073.db2.gz YGWYYTAKSCJGOD-GFCCVEGCSA-N -1 3 339.769 3.651 20 0 EHADHM Cc1nc(CCCNCc2ccsc2Cl)sc1C(=O)[O-] ZINC000426691743 1022979795 /nfs/dbraw/zinc/97/97/95/1022979795.db2.gz 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ZINC000438824159 1023041194 /nfs/dbraw/zinc/04/11/94/1023041194.db2.gz BJTAHQFWGMLATL-LBPRGKRZSA-N -1 3 338.423 3.611 20 0 EHADHM O=C([O-])[C@@H](NCc1cc(Br)cs1)c1cccc(F)c1 ZINC000426767008 1023045173 /nfs/dbraw/zinc/04/51/73/1023045173.db2.gz JFKTXOWXTGHWLS-LBPRGKRZSA-N -1 3 344.205 3.565 20 0 EHADHM Cc1cc(CN[C@H](C(=O)[O-])c2ccsc2)ccc1Br ZINC000426795497 1023054193 /nfs/dbraw/zinc/05/41/93/1023054193.db2.gz YFQQCKFPSVLLJY-ZDUSSCGKSA-N -1 3 340.242 3.735 20 0 EHADHM CCCOc1ccc(NC(=O)NCc2ncccc2[O-])cc1Cl ZINC000348702715 1023057036 /nfs/dbraw/zinc/05/70/36/1023057036.db2.gz ANNHNKJCEDCBJV-UHFFFAOYSA-N -1 3 335.791 3.551 20 0 EHADHM O=C([O-])[C@@H](NCc1cccc(C(F)(F)F)c1)c1cccc(F)c1 ZINC000426827194 1023070339 /nfs/dbraw/zinc/07/03/39/1023070339.db2.gz RISDUYRWYDNAGF-AWEZNQCLSA-N -1 3 327.277 3.760 20 0 EHADHM COc1ccc([C@H](NCc2cccc(OC(C)C)c2)C(=O)[O-])cc1F ZINC000426833850 1023081566 /nfs/dbraw/zinc/08/15/66/1023081566.db2.gz NCRHQCFRXMJWLJ-SFHVURJKSA-N -1 3 347.386 3.537 20 0 EHADHM CCc1ccc(C(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)c([O-])c1 ZINC000189796034 1023104030 /nfs/dbraw/zinc/10/40/30/1023104030.db2.gz PXTPPRCZBDDPSP-GOSISDBHSA-N -1 3 345.826 3.822 20 0 EHADHM O=C([N-]c1ccc(F)c(F)c1F)c1ncsc1C(F)(F)F ZINC000431013211 1023117567 /nfs/dbraw/zinc/11/75/67/1023117567.db2.gz HUAIMUZSDSFROL-UHFFFAOYSA-N -1 3 326.221 3.832 20 0 EHADHM C[C@H]1C[C@]1(NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000507207740 1023181347 /nfs/dbraw/zinc/18/13/47/1023181347.db2.gz PRWJUJUISUVUTJ-BBATYDOGSA-N -1 3 348.805 3.919 20 0 EHADHM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3F)cc2s1 ZINC000427139318 1023243949 /nfs/dbraw/zinc/24/39/49/1023243949.db2.gz FGLMRBOFPJUDQF-UHFFFAOYSA-N -1 3 336.413 3.853 20 0 EHADHM O=C([O-])[C@H]1CC[C@H](CNCc2csc(-c3cccs3)n2)CC1 ZINC000276933432 1023413974 /nfs/dbraw/zinc/41/39/74/1023413974.db2.gz BTPCPOZUXVZEAE-HAQNSBGRSA-N -1 3 336.482 3.852 20 0 EHADHM O=S(=O)(CCc1cccc(Cl)c1)[N-]c1cc(F)cc(F)c1F ZINC000431185511 1023428970 /nfs/dbraw/zinc/42/89/70/1023428970.db2.gz 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COCCOc1cc(C)ccc1NC(=O)c1cc([O-])ccc1Cl ZINC000431351966 1025217095 /nfs/dbraw/zinc/21/70/95/1025217095.db2.gz OIRAISCPFPLWHR-UHFFFAOYSA-N -1 3 335.787 3.632 20 0 EHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H]3C(C)(C)C3(F)F)nc2)n1 ZINC000664525130 1025384669 /nfs/dbraw/zinc/38/46/69/1025384669.db2.gz VETAFQXNKRUNRN-LBPRGKRZSA-N -1 3 334.370 3.510 20 0 EHADHM COc1cc(C)ccc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000121531092 1025487724 /nfs/dbraw/zinc/48/77/24/1025487724.db2.gz BZMMVZGQWSYAKV-UHFFFAOYSA-N -1 3 340.354 3.545 20 0 EHADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H](c1ccncc1)C1CCCC1 ZINC000896500672 1025506717 /nfs/dbraw/zinc/50/67/17/1025506717.db2.gz HPYXGQQCSAPCTH-GOSISDBHSA-N -1 3 328.387 3.517 20 0 EHADHM O=C([N-]c1cc(-c2nc[nH]n2)ccc1F)c1cc(-c2ccccc2)on1 ZINC000347106566 1025511287 /nfs/dbraw/zinc/51/12/87/1025511287.db2.gz MDYIGTTUIXRIFP-UHFFFAOYSA-N -1 3 349.325 3.518 20 0 EHADHM CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)NCc1ncccc1[O-] ZINC000472195388 1025590271 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Cc1cccc(C(=O)Nc2ccccc2Sc2nccn2C)c1[O-] ZINC000436534199 1025843796 /nfs/dbraw/zinc/84/37/96/1025843796.db2.gz NXXYGYGMVZDSCZ-UHFFFAOYSA-N -1 3 339.420 3.838 20 0 EHADHM COc1ccc(C(=O)N(C)[C@H]2CCCc3cc(OC)ccc32)c([O-])c1 ZINC000436541240 1025872418 /nfs/dbraw/zinc/87/24/18/1025872418.db2.gz WRUXLDYEAMUCTJ-SFHVURJKSA-N -1 3 341.407 3.559 20 0 EHADHM Cc1ccc([C@H]2CSCCN2C(=O)c2ccc(C)cc2[O-])cc1 ZINC000436542061 1025876584 /nfs/dbraw/zinc/87/65/84/1025876584.db2.gz CIIWZSLSDVCDBH-QGZVFWFLSA-N -1 3 327.449 3.939 20 0 EHADHM Cc1ccc(C(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)c([O-])c1 ZINC000436575953 1025879401 /nfs/dbraw/zinc/87/94/01/1025879401.db2.gz PQROQPDJMVZXQD-LBPRGKRZSA-N -1 3 329.400 3.622 20 0 EHADHM CC[C@@H](C)n1ncc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1C ZINC000436594687 1025911314 /nfs/dbraw/zinc/91/13/14/1025911314.db2.gz JOPUZZDLOLXHTQ-LLVKDONJSA-N -1 3 343.427 3.834 20 0 EHADHM CC[C@@H](C)n1ncc(NC(=O)c2ccc3c(c2[O-])CCCC3)c1C ZINC000436593194 1025911483 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O=C(Nc1cc(Cl)ccc1[O-])c1cn(-c2cccc(Cl)c2)nn1 ZINC000444248262 1025962512 /nfs/dbraw/zinc/96/25/12/1025962512.db2.gz NDSSJLFHSOUXPI-UHFFFAOYSA-N -1 3 349.177 3.532 20 0 EHADHM CCOCc1cccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000436683282 1026035912 /nfs/dbraw/zinc/03/59/12/1026035912.db2.gz SXSSBCCQKOLTEN-UHFFFAOYSA-N -1 3 341.407 3.895 20 0 EHADHM CC(C)c1ccc(C(=O)N2C[C@H](C(F)(F)F)OC(C)(C)C2)c([O-])c1 ZINC000436710065 1026053476 /nfs/dbraw/zinc/05/34/76/1026053476.db2.gz YIURDHVHQOLBNQ-CQSZACIVSA-N -1 3 345.361 3.698 20 0 EHADHM O=C(NCc1ccc(Oc2cccc(F)c2)nc1)c1ccccc1[O-] ZINC000436716850 1026084357 /nfs/dbraw/zinc/08/43/57/1026084357.db2.gz CWIXHYPHYXHMDL-UHFFFAOYSA-N -1 3 338.338 3.649 20 0 EHADHM CCc1ccc(C(=O)N2CC[C@](F)(c3ccccc3F)C2)c([O-])c1 ZINC000436714267 1026086133 /nfs/dbraw/zinc/08/61/33/1026086133.db2.gz LRGIWYSDAVUWPK-LJQANCHMSA-N -1 3 331.362 3.805 20 0 EHADHM C[C@H]1COC(C)(C)CN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436738342 1026107167 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CC1(C)[C@H](C(F)(F)F)CCN1Cc1nnc(-c2ccccc2[O-])o1 ZINC000878494937 1137717852 /nfs/dbraw/zinc/71/78/52/1137717852.db2.gz GHQSJUOTQZEOMO-GFCCVEGCSA-N -1 3 341.333 3.605 20 0 EHADHM CC(C)(C)O[C@@H]1C[C@H](NCc2nnc(-c3ccccc3[O-])o2)C1(C)C ZINC000878713910 1137726006 /nfs/dbraw/zinc/72/60/06/1137726006.db2.gz CYFWXROUFPGYRV-LSDHHAIUSA-N -1 3 345.443 3.514 20 0 EHADHM O=C(CCc1ncc(-c2ccccc2F)o1)[N-]OCc1ccccc1 ZINC000023040125 1137735520 /nfs/dbraw/zinc/73/55/20/1137735520.db2.gz UXIYTXRVBKYARO-UHFFFAOYSA-N -1 3 340.354 3.661 20 0 EHADHM O=C(COC(=O)c1cc2ccsc2[n-]1)Nc1ccc(Cl)cc1 ZINC000023345706 1137748750 /nfs/dbraw/zinc/74/87/50/1137748750.db2.gz ZQNAIVWXCUYWTO-UHFFFAOYSA-N -1 3 334.784 3.678 20 0 EHADHM O=C(Nc1cccc([O-])c1F)c1ccn(-c2ccccc2Cl)n1 ZINC000129726533 1137829385 /nfs/dbraw/zinc/82/93/85/1137829385.db2.gz SARTXSMNIPDYJP-UHFFFAOYSA-N -1 3 331.734 3.623 20 0 EHADHM CCc1nc(CO[N-]C(=O)Cc2cccc3ccccc32)cs1 ZINC000074284503 1137867134 /nfs/dbraw/zinc/86/71/34/1137867134.db2.gz LJGSYRAIYYNLNW-UHFFFAOYSA-N -1 3 326.421 3.649 20 0 EHADHM O=C(NCc1ccc([O-])c(F)c1)c1sccc1SC(F)F ZINC000132955940 1137873045 /nfs/dbraw/zinc/87/30/45/1137873045.db2.gz YWKMVLURQATZKW-UHFFFAOYSA-N -1 3 333.356 3.838 20 0 EHADHM CC(C)c1ccccc1NC(=O)[C@@H](C)[S@@](=O)c1ccc([O-])cc1 ZINC000108085536 1137888602 /nfs/dbraw/zinc/88/86/02/1137888602.db2.gz IDOJGVXPSLOIDR-ZLOXQWCVSA-N -1 3 331.437 3.650 20 0 EHADHM CC(=O)c1ccc(C(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)cc1[O-] ZINC000331926191 1137925768 /nfs/dbraw/zinc/92/57/68/1137925768.db2.gz PAHIJCKNZIWLLS-BLLLJJGKSA-N -1 3 327.380 3.801 20 0 EHADHM C[C@H](c1cccc(Cl)c1F)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000332363111 1137941524 /nfs/dbraw/zinc/94/15/24/1137941524.db2.gz VJNYDKZCMJBCDM-NXEZZACHSA-N -1 3 325.771 3.508 20 0 EHADHM CC(=O)c1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)cc1[O-] ZINC000332380680 1137942175 /nfs/dbraw/zinc/94/21/75/1137942175.db2.gz GNLWAHWPYTWFIL-RDTXWAMCSA-N -1 3 337.419 3.861 20 0 EHADHM CC[C@@H]1CCCCN1C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000332535386 1137946512 /nfs/dbraw/zinc/94/65/12/1137946512.db2.gz IPGQVZRBFMTETM-MRXNPFEDSA-N -1 3 340.427 3.954 20 0 EHADHM Cc1ccc(C(=O)N2CCC(Cc3nc4ccccc4[nH]3)CC2)c([O-])c1 ZINC000333014755 1137952880 /nfs/dbraw/zinc/95/28/80/1137952880.db2.gz BVKANEGUXWUBQJ-UHFFFAOYSA-N -1 3 349.434 3.672 20 0 EHADHM CC(C)(C)OCc1cccc(NC(=O)c2[n-]cnc2C(F)(F)F)c1 ZINC000885617792 1138012439 /nfs/dbraw/zinc/01/24/39/1138012439.db2.gz BXJQITQFLLENFR-UHFFFAOYSA-N -1 3 341.333 3.996 20 0 EHADHM CC(C)(C)OCc1cccc(NC(=O)c2nc[n-]c2C(F)(F)F)c1 ZINC000885617792 1138012441 /nfs/dbraw/zinc/01/24/41/1138012441.db2.gz BXJQITQFLLENFR-UHFFFAOYSA-N -1 3 341.333 3.996 20 0 EHADHM CC1(C)C[C@H](O)c2cccc(NC(=O)c3cc([O-])ccc3Cl)c2O1 ZINC000885659179 1138015814 /nfs/dbraw/zinc/01/58/14/1138015814.db2.gz ITKGMSYKQGFDDO-HNNXBMFYSA-N -1 3 347.798 3.892 20 0 EHADHM Cc1nocc1S(=O)(=O)[N-][C@H]1CCC(C)(C)C[C@@H]1c1ccccc1 ZINC001671101007 1138044520 /nfs/dbraw/zinc/04/45/20/1138044520.db2.gz SEWJMXUXGXTJLW-CVEARBPZSA-N -1 3 348.468 3.624 20 0 EHADHM CN(C(=O)NCc1ccc([O-])c(Br)c1)C1CCCCC1 ZINC000126266550 1138327510 /nfs/dbraw/zinc/32/75/10/1138327510.db2.gz NAYICYCHAJDKMA-UHFFFAOYSA-N -1 3 341.249 3.629 20 0 EHADHM Cc1ccc(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)c([O-])c1 ZINC000264143228 1138427995 /nfs/dbraw/zinc/42/79/95/1138427995.db2.gz OQHCKDCNRYALCF-QGZVFWFLSA-N -1 3 331.799 3.568 20 0 EHADHM O=C(Nc1nc(-c2cccs2)cs1)c1cc(F)cc2n[n-]nc21 ZINC000337497571 1138587188 /nfs/dbraw/zinc/58/71/88/1138587188.db2.gz SLTIPYXHZMNTKH-UHFFFAOYSA-N -1 3 345.384 3.534 20 0 EHADHM CC(C)c1ncc(C(=O)[N-]c2nc(Cc3ccccc3)ns2)s1 ZINC000132985893 1138615009 /nfs/dbraw/zinc/61/50/09/1138615009.db2.gz DIVRSTPLJPSXOX-UHFFFAOYSA-N -1 3 344.465 3.961 20 0 EHADHM Cc1sc2[n-]c([C@H]3CCCO3)nc(=O)c2c1-c1ccc(F)cc1 ZINC000178984286 1139728917 /nfs/dbraw/zinc/72/89/17/1139728917.db2.gz RAFTYBCNUQUXMH-GFCCVEGCSA-N -1 3 330.384 3.951 20 0 EHADHM O=C(CC1CCC(C(F)(F)F)CC1)NCc1ccc([O-])c(F)c1 ZINC000180736436 1139860290 /nfs/dbraw/zinc/86/02/90/1139860290.db2.gz LFPKWIACNDCZDD-UHFFFAOYSA-N -1 3 333.325 3.906 20 0 EHADHM O=C([N-]c1ncn(C2CCCCC2)n1)c1cc(F)c(F)c(F)c1F ZINC000182716528 1139988347 /nfs/dbraw/zinc/98/83/47/1139988347.db2.gz NNQJSQJHWQRRKB-UHFFFAOYSA-N -1 3 342.296 3.592 20 0 EHADHM CC(C)c1ncc(Cl)c(C(=O)[N-]c2ncn(C3CCCCC3)n2)n1 ZINC000184912498 1140125331 /nfs/dbraw/zinc/12/53/31/1140125331.db2.gz GULYXHSEKALGEC-UHFFFAOYSA-N -1 3 348.838 3.602 20 0 EHADHM CCc1cnc(NC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)s1 ZINC000186237982 1140193872 /nfs/dbraw/zinc/19/38/72/1140193872.db2.gz YRYICMKWRXTOMB-UHFFFAOYSA-N -1 3 345.346 3.978 20 0 EHADHM CCc1ccc(C(=O)N2CC[C@@H](COCc3ccccc3)C2)c([O-])c1 ZINC000187860442 1140274342 /nfs/dbraw/zinc/27/43/42/1140274342.db2.gz CZINFXBYWXRGCF-GOSISDBHSA-N -1 3 339.435 3.634 20 0 EHADHM COc1ccc(N[C@@H]2C[C@H](C)c3ccccc32)cc1[N-]S(C)(=O)=O ZINC000290490280 1140321421 /nfs/dbraw/zinc/32/14/21/1140321421.db2.gz XROWOXCGIFAFJY-BLLLJJGKSA-N -1 3 346.452 3.727 20 0 EHADHM Cc1cc(-c2ncccc2NC([O-])=NO[C@@H]2CCCCO2)cs1 ZINC000189207409 1140327187 /nfs/dbraw/zinc/32/71/87/1140327187.db2.gz OEQYHIULPFWBQV-CQSZACIVSA-N -1 3 333.413 3.698 20 0 EHADHM Cc1cc(-c2ncccc2NC(=O)[N-]O[C@@H]2CCCCO2)cs1 ZINC000189207409 1140327194 /nfs/dbraw/zinc/32/71/94/1140327194.db2.gz OEQYHIULPFWBQV-CQSZACIVSA-N -1 3 333.413 3.698 20 0 EHADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H](C)c1ccc(F)cc1F ZINC000195302546 1140636399 /nfs/dbraw/zinc/63/63/99/1140636399.db2.gz MEZKCHYWXUULSQ-JTQLQIEISA-N -1 3 326.293 3.637 20 0 EHADHM CSc1nc(NC(=O)c2cc(C3CC3)nc3ccc(C)cc32)n[n-]1 ZINC000266926689 1140739727 /nfs/dbraw/zinc/73/97/27/1140739727.db2.gz KWCFDKWVUSRCKG-UHFFFAOYSA-N -1 3 339.424 3.513 20 0 EHADHM CCCCN(C(=O)c1cc(NC(C)=O)ccc1[O-])C1CCCCC1 ZINC000270057727 1141173462 /nfs/dbraw/zinc/17/34/62/1141173462.db2.gz PGIHVNZANUNUPD-UHFFFAOYSA-N -1 3 332.444 3.926 20 0 EHADHM CC[C@@](C)([N-]C(=O)C(F)(F)c1ccccc1F)c1nccs1 ZINC000270858916 1141277106 /nfs/dbraw/zinc/27/71/06/1141277106.db2.gz CHHAMJGAHNFUCM-CQSZACIVSA-N -1 3 328.359 3.816 20 0 EHADHM CCC1(CC)[C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)[C@@H](C)[C@@H]1OC ZINC000271331984 1141346639 /nfs/dbraw/zinc/34/66/39/1141346639.db2.gz CMZHJKUSEBCRKT-PJSAGSTRSA-N -1 3 342.439 3.510 20 0 EHADHM C[C@@H]1CN(c2ccc(NCc3cc([O-])cc(F)c3)cc2)C[C@H](C)O1 ZINC000274409346 1141519237 /nfs/dbraw/zinc/51/92/37/1141519237.db2.gz HSDHFYKILFNSDD-OKILXGFUSA-N -1 3 330.403 3.757 20 0 EHADHM [O-]c1ccc(-c2noc(Cc3ccc(Br)cc3)n2)cc1 ZINC000034956043 213002518 /nfs/dbraw/zinc/00/25/18/213002518.db2.gz GBMKCFOPSYHRCQ-UHFFFAOYSA-N -1 3 331.169 3.796 20 0 EHADHM [O-]c1cccc(CNCc2ccc3c(n2)CCCC3)c1Br ZINC000459509585 370693935 /nfs/dbraw/zinc/69/39/35/370693935.db2.gz NUBDSRVTDHOYMR-UHFFFAOYSA-N -1 3 347.256 3.718 20 0 EHADHM CCn1nc(NC(=O)c2c[n-]nc2-c2ccc(F)cc2)cc1C1CC1 ZINC000531416614 477903656 /nfs/dbraw/zinc/90/36/56/477903656.db2.gz CTNRBWNUXVFVBG-UHFFFAOYSA-N -1 3 339.374 3.562 20 0 EHADHM C[C@H]1CCC[C@H](C)N1Cc1cc(C(=O)[O-])ccc1Br ZINC000675073783 564112915 /nfs/dbraw/zinc/11/29/15/564112915.db2.gz UFMLLXKNKBVBQF-QWRGUYRKSA-N -1 3 326.234 3.910 20 0 EHADHM CC(C)[C@@H](C)CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000735701012 598836842 /nfs/dbraw/zinc/83/68/42/598836842.db2.gz JFXPNWBDEQCUQA-AWEZNQCLSA-N -1 3 349.438 3.556 20 0 EHADHM CC(C)[C@@H](C)CNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000735701012 598836843 /nfs/dbraw/zinc/83/68/43/598836843.db2.gz JFXPNWBDEQCUQA-AWEZNQCLSA-N -1 3 349.438 3.556 20 0 EHADHM Fc1ccc(-c2nn[n-]n2)cc1CSCCCCC(F)(F)F ZINC000826373794 607786085 /nfs/dbraw/zinc/78/60/85/607786085.db2.gz ZVFIMYNNNGLWOS-UHFFFAOYSA-N -1 3 334.342 3.972 20 0 EHADHM c1ccc(Oc2ccc(NCc3ccccc3-c3nnn[n-]3)cc2)nc1 ZINC000738432518 598872220 /nfs/dbraw/zinc/87/22/20/598872220.db2.gz GNTKEYJIPWXXPQ-UHFFFAOYSA-N -1 3 344.378 3.666 20 0 EHADHM c1ccc(Oc2ccc(NCc3ccccc3-c3nn[n-]n3)cc2)nc1 ZINC000738432518 598872221 /nfs/dbraw/zinc/87/22/21/598872221.db2.gz GNTKEYJIPWXXPQ-UHFFFAOYSA-N -1 3 344.378 3.666 20 0 EHADHM CCN(Cc1ccccc1Cl)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736555792 598937288 /nfs/dbraw/zinc/93/72/88/598937288.db2.gz MVTVSFGNZWVUJS-UHFFFAOYSA-N -1 3 349.225 3.595 20 0 EHADHM CCN(Cc1ccccc1Cl)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736555792 598937289 /nfs/dbraw/zinc/93/72/89/598937289.db2.gz MVTVSFGNZWVUJS-UHFFFAOYSA-N -1 3 349.225 3.595 20 0 EHADHM CCCCC[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000736441787 599008748 /nfs/dbraw/zinc/00/87/48/599008748.db2.gz UNLDNNGQFMRCKZ-MRXNPFEDSA-N -1 3 343.475 3.520 20 0 EHADHM CCCCC[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000736441787 599008749 /nfs/dbraw/zinc/00/87/49/599008749.db2.gz UNLDNNGQFMRCKZ-MRXNPFEDSA-N -1 3 343.475 3.520 20 0 EHADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)Oc1cccc(Cl)c1 ZINC000820280490 599064466 /nfs/dbraw/zinc/06/44/66/599064466.db2.gz HOQBHPFMHWYXLC-JTQLQIEISA-N -1 3 347.781 3.539 20 0 EHADHM C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)Oc1cccc(Cl)c1 ZINC000820280490 599064470 /nfs/dbraw/zinc/06/44/70/599064470.db2.gz HOQBHPFMHWYXLC-JTQLQIEISA-N -1 3 347.781 3.539 20 0 EHADHM C[C@@H](CNc1cc(Cl)ccc1-c1nnn[n-]1)Oc1ccc(F)cc1 ZINC000820274295 599066812 /nfs/dbraw/zinc/06/68/12/599066812.db2.gz GNUILNJVSYLGGK-JTQLQIEISA-N -1 3 347.781 3.539 20 0 EHADHM C[C@@H](CNc1cc(Cl)ccc1-c1nn[n-]n1)Oc1ccc(F)cc1 ZINC000820274295 599066815 /nfs/dbraw/zinc/06/68/15/599066815.db2.gz GNUILNJVSYLGGK-JTQLQIEISA-N -1 3 347.781 3.539 20 0 EHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@H]1C[C@H]1C1CCCCC1 ZINC000738164356 599070171 /nfs/dbraw/zinc/07/01/71/599070171.db2.gz WWRNVNJPGBNLIX-STQMWFEESA-N -1 3 345.834 3.675 20 0 EHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@H]1C[C@H]1C1CCCCC1 ZINC000738164356 599070174 /nfs/dbraw/zinc/07/01/74/599070174.db2.gz WWRNVNJPGBNLIX-STQMWFEESA-N -1 3 345.834 3.675 20 0 EHADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)Sc1ccccc1 ZINC000820281175 599079939 /nfs/dbraw/zinc/07/99/39/599079939.db2.gz SXMPYFFDUHJIEX-SNVBAGLBSA-N -1 3 346.847 3.508 20 0 EHADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)Sc1ccccc1 ZINC000820281175 599079942 /nfs/dbraw/zinc/07/99/42/599079942.db2.gz SXMPYFFDUHJIEX-SNVBAGLBSA-N -1 3 346.847 3.508 20 0 EHADHM CCCCCC[C@@H](C)C(=O)Oc1ccc(-c2nnn[n-]2)cc1OCC ZINC000736447832 599179460 /nfs/dbraw/zinc/17/94/60/599179460.db2.gz UVCZFGYBOROSQX-CYBMUJFWSA-N -1 3 346.431 3.777 20 0 EHADHM CCCCCC[C@@H](C)C(=O)Oc1ccc(-c2nn[n-]n2)cc1OCC ZINC000736447832 599179461 /nfs/dbraw/zinc/17/94/61/599179461.db2.gz UVCZFGYBOROSQX-CYBMUJFWSA-N -1 3 346.431 3.777 20 0 EHADHM Cc1ccc(-c2nnc([C@@H](C)N3CCC[C@@H](CC(=O)[O-])C3)o2)cc1C ZINC000818859048 597087115 /nfs/dbraw/zinc/08/71/15/597087115.db2.gz SUQVYOWDAXEUOE-CABCVRRESA-N -1 3 343.427 3.601 20 0 EHADHM Cc1c([C@@H](C)NCc2ccc(C(=O)[O-])cc2)cnn1-c1ccccc1 ZINC000818772651 597245015 /nfs/dbraw/zinc/24/50/15/597245015.db2.gz CUKPMPXUNGRTCT-CQSZACIVSA-N -1 3 335.407 3.730 20 0 EHADHM CCC(CC)(C(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1ccccc1 ZINC000820882230 607294486 /nfs/dbraw/zinc/29/44/86/607294486.db2.gz MTPUAHKIWVYVPZ-UHFFFAOYSA-N -1 3 349.438 3.872 20 0 EHADHM CCC(CC)(C(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1ccccc1 ZINC000820882230 607294487 /nfs/dbraw/zinc/29/44/87/607294487.db2.gz MTPUAHKIWVYVPZ-UHFFFAOYSA-N -1 3 349.438 3.872 20 0 EHADHM CCC[C@H]1[C@H](C)CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000821034654 599271631 /nfs/dbraw/zinc/27/16/31/599271631.db2.gz QTBHJJOVJNHQCA-CJNGLKHVSA-N -1 3 342.447 3.608 20 0 EHADHM CCC[C@H]1[C@H](C)CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000821034654 599271632 /nfs/dbraw/zinc/27/16/32/599271632.db2.gz QTBHJJOVJNHQCA-CJNGLKHVSA-N -1 3 342.447 3.608 20 0 EHADHM C[C@H](SC[C@@H]1CC1(Cl)Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192498 599289535 /nfs/dbraw/zinc/28/95/35/599289535.db2.gz ZQFGWJBGQKVSRS-KWQFWETISA-N -1 3 329.256 3.855 20 0 EHADHM C[C@H](SC[C@@H]1CC1(Cl)Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192498 599289537 /nfs/dbraw/zinc/28/95/37/599289537.db2.gz ZQFGWJBGQKVSRS-KWQFWETISA-N -1 3 329.256 3.855 20 0 EHADHM CCC(CC)n1ccc(CSc2cccc(-c3nnn[n-]3)c2)n1 ZINC000820902016 607327162 /nfs/dbraw/zinc/32/71/62/607327162.db2.gz HKYZXSMMCTXPCB-UHFFFAOYSA-N -1 3 328.445 3.717 20 0 EHADHM CCC(CC)n1ccc(CSc2cccc(-c3nn[n-]n3)c2)n1 ZINC000820902016 607327163 /nfs/dbraw/zinc/32/71/63/607327163.db2.gz HKYZXSMMCTXPCB-UHFFFAOYSA-N -1 3 328.445 3.717 20 0 EHADHM O=C([O-])c1cccc(CNCc2cnc(-c3cccs3)s2)c1 ZINC000683176160 598194042 /nfs/dbraw/zinc/19/40/42/598194042.db2.gz IQPDSBSPSLTESR-UHFFFAOYSA-N -1 3 330.434 3.860 20 0 EHADHM COc1ccccc1CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000737153608 598274320 /nfs/dbraw/zinc/27/43/20/598274320.db2.gz UJOJGZVGEBQCIS-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM CCOCc1ccccc1CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736625813 598632948 /nfs/dbraw/zinc/63/29/48/598632948.db2.gz MSUIANNNQILYFZ-UHFFFAOYSA-N -1 3 343.818 3.669 20 0 EHADHM CCOCc1ccccc1CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736625813 598632950 /nfs/dbraw/zinc/63/29/50/598632950.db2.gz MSUIANNNQILYFZ-UHFFFAOYSA-N -1 3 343.818 3.669 20 0 EHADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000736134273 598635991 /nfs/dbraw/zinc/63/59/91/598635991.db2.gz AJMJVGSSRAMMMZ-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000736134273 598635993 /nfs/dbraw/zinc/63/59/93/598635993.db2.gz AJMJVGSSRAMMMZ-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM Clc1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000737577164 598639564 /nfs/dbraw/zinc/63/95/64/598639564.db2.gz UOAIPYNSCOSIMU-UHFFFAOYSA-N -1 3 326.212 3.847 20 0 EHADHM Clc1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000737577164 598639566 /nfs/dbraw/zinc/63/95/66/598639566.db2.gz UOAIPYNSCOSIMU-UHFFFAOYSA-N -1 3 326.212 3.847 20 0 EHADHM CN(Cc1ccc(F)cc1-c1nnn[n-]1)c1cccc2ccccc21 ZINC000736820322 598682434 /nfs/dbraw/zinc/68/24/34/598682434.db2.gz VKVCOIYVSLWSSF-UHFFFAOYSA-N -1 3 333.370 3.795 20 0 EHADHM CN(Cc1ccc(F)cc1-c1nn[n-]n1)c1cccc2ccccc21 ZINC000736820322 598682435 /nfs/dbraw/zinc/68/24/35/598682435.db2.gz VKVCOIYVSLWSSF-UHFFFAOYSA-N -1 3 333.370 3.795 20 0 EHADHM Clc1ccc(NCc2cc3ccccc3o2)c(-c2nnn[n-]2)c1 ZINC000737576203 598793612 /nfs/dbraw/zinc/79/36/12/598793612.db2.gz YLPNTPBWQIFELT-UHFFFAOYSA-N -1 3 325.759 3.878 20 0 EHADHM Clc1ccc(NCc2cc3ccccc3o2)c(-c2nn[n-]n2)c1 ZINC000737576203 598793613 /nfs/dbraw/zinc/79/36/13/598793613.db2.gz YLPNTPBWQIFELT-UHFFFAOYSA-N -1 3 325.759 3.878 20 0 EHADHM C[C@@H]1C[C@@H]1c1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)o1 ZINC000736234753 598794043 /nfs/dbraw/zinc/79/40/43/598794043.db2.gz BRTQDNMUZQRUHF-SKDRFNHKSA-N -1 3 329.791 3.849 20 0 EHADHM C[C@@H]1C[C@@H]1c1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)o1 ZINC000736234753 598794044 /nfs/dbraw/zinc/79/40/44/598794044.db2.gz BRTQDNMUZQRUHF-SKDRFNHKSA-N -1 3 329.791 3.849 20 0 EHADHM C[C@@H](SCc1cccc(Cl)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820548574 599300272 /nfs/dbraw/zinc/30/02/72/599300272.db2.gz CHMXRJJWNQQWSX-SNVBAGLBSA-N -1 3 331.832 3.910 20 0 EHADHM C[C@@H](SCc1cccc(Cl)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820548574 599300275 /nfs/dbraw/zinc/30/02/75/599300275.db2.gz CHMXRJJWNQQWSX-SNVBAGLBSA-N -1 3 331.832 3.910 20 0 EHADHM COc1c(Cl)cccc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737024283 599324522 /nfs/dbraw/zinc/32/45/22/599324522.db2.gz FLZKNHMSVNNUKE-SNVBAGLBSA-N -1 3 329.791 3.702 20 0 EHADHM COc1c(Cl)cccc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737024283 599324524 /nfs/dbraw/zinc/32/45/24/599324524.db2.gz FLZKNHMSVNNUKE-SNVBAGLBSA-N -1 3 329.791 3.702 20 0 EHADHM C[C@H](SCCOc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190360 599325683 /nfs/dbraw/zinc/32/56/83/599325683.db2.gz RLVIVTYJBVVZCR-LBPRGKRZSA-N -1 3 344.415 3.879 20 0 EHADHM C[C@H](SCCOc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190360 599325685 /nfs/dbraw/zinc/32/56/85/599325685.db2.gz RLVIVTYJBVVZCR-LBPRGKRZSA-N -1 3 344.415 3.879 20 0 EHADHM CCc1cnc(COc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)o1 ZINC000821499452 599381031 /nfs/dbraw/zinc/38/10/31/599381031.db2.gz KLTIXQAWAGLWMQ-UHFFFAOYSA-N -1 3 347.378 3.663 20 0 EHADHM CCc1cnc(COc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)o1 ZINC000821499452 599381032 /nfs/dbraw/zinc/38/10/32/599381032.db2.gz KLTIXQAWAGLWMQ-UHFFFAOYSA-N -1 3 347.378 3.663 20 0 EHADHM C[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1cccc(Cl)c1Cl ZINC000820433044 599441037 /nfs/dbraw/zinc/44/10/37/599441037.db2.gz VMMQGYXYFGVGOQ-QMMMGPOBSA-N -1 3 338.198 3.617 20 0 EHADHM C[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1cccc(Cl)c1Cl ZINC000820433044 599441040 /nfs/dbraw/zinc/44/10/40/599441040.db2.gz VMMQGYXYFGVGOQ-QMMMGPOBSA-N -1 3 338.198 3.617 20 0 EHADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1cccc(Cl)c1Cl ZINC000820433042 599441591 /nfs/dbraw/zinc/44/15/91/599441591.db2.gz VMMQGYXYFGVGOQ-MRVPVSSYSA-N -1 3 338.198 3.617 20 0 EHADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1cccc(Cl)c1Cl ZINC000820433042 599441594 /nfs/dbraw/zinc/44/15/94/599441594.db2.gz VMMQGYXYFGVGOQ-MRVPVSSYSA-N -1 3 338.198 3.617 20 0 EHADHM Clc1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)s1 ZINC000822574059 599471635 /nfs/dbraw/zinc/47/16/35/599471635.db2.gz NKPJHOMQCXDPJU-UHFFFAOYSA-N -1 3 326.212 3.847 20 0 EHADHM Clc1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)s1 ZINC000822574059 599471638 /nfs/dbraw/zinc/47/16/38/599471638.db2.gz NKPJHOMQCXDPJU-UHFFFAOYSA-N -1 3 326.212 3.847 20 0 EHADHM C[C@H](NC(=O)CC/C=C\c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736103461 599542253 /nfs/dbraw/zinc/54/22/53/599542253.db2.gz WPRUJEBYASDVJU-ZHMISCPASA-N -1 3 347.422 3.538 20 0 EHADHM C[C@H](NC(=O)CC/C=C\c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736103461 599542255 /nfs/dbraw/zinc/54/22/55/599542255.db2.gz WPRUJEBYASDVJU-ZHMISCPASA-N -1 3 347.422 3.538 20 0 EHADHM CC[C@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000820926168 599571377 /nfs/dbraw/zinc/57/13/77/599571377.db2.gz PWIJRKFPIQPCHZ-AWEZNQCLSA-N -1 3 333.317 3.847 20 0 EHADHM CC[C@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1cc(F)ccc1F ZINC000820926168 599571379 /nfs/dbraw/zinc/57/13/79/599571379.db2.gz PWIJRKFPIQPCHZ-AWEZNQCLSA-N -1 3 333.317 3.847 20 0 EHADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000736328399 599609909 /nfs/dbraw/zinc/60/99/09/599609909.db2.gz HMPXSGFKQZUZHM-LRDDRELGSA-N -1 3 342.447 3.608 20 0 EHADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000736328399 599609910 /nfs/dbraw/zinc/60/99/10/599609910.db2.gz HMPXSGFKQZUZHM-LRDDRELGSA-N -1 3 342.447 3.608 20 0 EHADHM CCc1c(C)sc(NC(=O)c2c(C)cccc2C)c1-c1nnn[n-]1 ZINC000821465941 599630408 /nfs/dbraw/zinc/63/04/08/599630408.db2.gz RHPQUCKWRPKPPM-UHFFFAOYSA-N -1 3 341.440 3.668 20 0 EHADHM CCc1c(C)sc(NC(=O)c2c(C)cccc2C)c1-c1nn[n-]n1 ZINC000821465941 599630409 /nfs/dbraw/zinc/63/04/09/599630409.db2.gz RHPQUCKWRPKPPM-UHFFFAOYSA-N -1 3 341.440 3.668 20 0 EHADHM CCN(C(=O)CC(C)(C)CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821146939 599648749 /nfs/dbraw/zinc/64/87/49/599648749.db2.gz BCMYSIWPHZBEIY-CYBMUJFWSA-N -1 3 329.448 3.603 20 0 EHADHM CCN(C(=O)CC(C)(C)CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821146939 599648750 /nfs/dbraw/zinc/64/87/50/599648750.db2.gz BCMYSIWPHZBEIY-CYBMUJFWSA-N -1 3 329.448 3.603 20 0 EHADHM Cc1cc2cc(C(=O)OCc3ccc(-c4nnn[n-]4)cc3)oc2cc1C ZINC000822212994 599670235 /nfs/dbraw/zinc/67/02/35/599670235.db2.gz PUTAGMDYYNRHDK-UHFFFAOYSA-N -1 3 348.362 3.587 20 0 EHADHM Cc1cc2cc(C(=O)OCc3ccc(-c4nn[n-]n4)cc3)oc2cc1C ZINC000822212994 599670236 /nfs/dbraw/zinc/67/02/36/599670236.db2.gz PUTAGMDYYNRHDK-UHFFFAOYSA-N -1 3 348.362 3.587 20 0 EHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc(Cl)c1Cl ZINC000826250742 607428583 /nfs/dbraw/zinc/42/85/83/607428583.db2.gz PSSSGALWPVBGNW-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc(Cl)c1Cl ZINC000826250742 607428585 /nfs/dbraw/zinc/42/85/85/607428585.db2.gz PSSSGALWPVBGNW-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM CC[C@@H](CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C)cc1 ZINC000825082710 607439680 /nfs/dbraw/zinc/43/96/80/607439680.db2.gz UYUYAHNCRIEZTB-HNNXBMFYSA-N -1 3 349.438 3.722 20 0 EHADHM CC[C@@H](CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C)cc1 ZINC000825082710 607439681 /nfs/dbraw/zinc/43/96/81/607439681.db2.gz UYUYAHNCRIEZTB-HNNXBMFYSA-N -1 3 349.438 3.722 20 0 EHADHM O=C([O-])[C@H](c1ccccc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000652421282 600410909 /nfs/dbraw/zinc/41/09/09/600410909.db2.gz JGXXMJVYYBBQQP-JTQLQIEISA-N -1 3 341.251 3.629 20 0 EHADHM C[C@H](N[C@H](C(=O)[O-])c1cccc(Cl)c1)c1ccc2c(c1)OCO2 ZINC000736660728 600420613 /nfs/dbraw/zinc/42/06/13/600420613.db2.gz ATYALUZDJGWGAH-QFYYESIMSA-N -1 3 333.771 3.545 20 0 EHADHM COc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1OC ZINC000737951492 600425755 /nfs/dbraw/zinc/42/57/55/600425755.db2.gz VWYHBAJPXXALKD-DIFFPNOSSA-N -1 3 349.814 3.834 20 0 EHADHM O=C([O-])c1cccc(CN2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000263445667 600440811 /nfs/dbraw/zinc/44/08/11/600440811.db2.gz FVOGPSAPCFTNMB-QGZVFWFLSA-N -1 3 341.382 3.619 20 0 EHADHM CC(C)c1ccc(OCCN[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000827129484 600739264 /nfs/dbraw/zinc/73/92/64/600739264.db2.gz OAQSQJGKSRVEOB-GOSISDBHSA-N -1 3 331.387 3.743 20 0 EHADHM Cc1cccc(NC2CCN(Cc3ccc(F)cc3C(=O)[O-])CC2)c1 ZINC000738736821 600796770 /nfs/dbraw/zinc/79/67/70/600796770.db2.gz XFDOPPVZYCIKJD-UHFFFAOYSA-N -1 3 342.414 3.909 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1ncc(-c2ccccc2)s1 ZINC000822221259 607470194 /nfs/dbraw/zinc/47/01/94/607470194.db2.gz HOEGPAIXUDOSAF-UHFFFAOYSA-N -1 3 348.435 3.911 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1ncc(-c2ccccc2)s1 ZINC000822221259 607470195 /nfs/dbraw/zinc/47/01/95/607470195.db2.gz HOEGPAIXUDOSAF-UHFFFAOYSA-N -1 3 348.435 3.911 20 0 EHADHM O=C([O-])c1cccc(-c2nc(CN3CCC[C@H]3C3CC3)cs2)c1 ZINC000833326471 600825577 /nfs/dbraw/zinc/82/55/77/600825577.db2.gz PUWATNJGIRRHJI-INIZCTEOSA-N -1 3 328.437 3.883 20 0 EHADHM CC[C@@H](C)Oc1cccc(NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000820875905 607477083 /nfs/dbraw/zinc/47/70/83/607477083.db2.gz IFSRUBNPEWBPGM-GFCCVEGCSA-N -1 3 341.390 3.795 20 0 EHADHM CC[C@@H](C)Oc1cccc(NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000820875905 607477085 /nfs/dbraw/zinc/47/70/85/607477085.db2.gz IFSRUBNPEWBPGM-GFCCVEGCSA-N -1 3 341.390 3.795 20 0 EHADHM CCc1oc(C(=O)[O-])cc1CN1CCC(c2nc(C)c(C)s2)CC1 ZINC000830369397 601415924 /nfs/dbraw/zinc/41/59/24/601415924.db2.gz OWBDXNSFKVTPGN-UHFFFAOYSA-N -1 3 348.468 3.993 20 0 EHADHM CC[C@@](C)(CC(=O)[O-])NCc1csc(-c2ccc(OC)cc2)n1 ZINC000828664904 601431587 /nfs/dbraw/zinc/43/15/87/601431587.db2.gz KSGFGAVGTNBINR-KRWDZBQOSA-N -1 3 334.441 3.552 20 0 EHADHM CC[C@](C)(CC(=O)[O-])NCc1csc(COc2ccc(C)cc2)n1 ZINC000828672085 601433413 /nfs/dbraw/zinc/43/34/13/601433413.db2.gz MCIJFIKXWPZRQT-GOSISDBHSA-N -1 3 348.468 3.764 20 0 EHADHM CSCc1cc(F)ccc1CN[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000832770734 601496729 /nfs/dbraw/zinc/49/67/29/601496729.db2.gz CZTFLNYTGQQDJH-INIZCTEOSA-N -1 3 337.391 3.743 20 0 EHADHM CCO[C@@H](C)c1nc(CNC2(CC(=O)[O-])CCCCC2)cs1 ZINC000829900971 601553734 /nfs/dbraw/zinc/55/37/34/601553734.db2.gz HSBXMVWZMDOUQL-LBPRGKRZSA-N -1 3 326.462 3.508 20 0 EHADHM Cc1ccc(Nc2nc(CN[C@@H](C(=O)[O-])C(C)(C)C)cs2)cc1 ZINC000832950173 601872602 /nfs/dbraw/zinc/87/26/02/601872602.db2.gz FWBZEJABHPIOJU-AWEZNQCLSA-N -1 3 333.457 3.784 20 0 EHADHM O=C([O-])c1ccc(CN2CCC[C@H]2c2ccc3c(c2)OCO3)s1 ZINC000581255535 601949058 /nfs/dbraw/zinc/94/90/58/601949058.db2.gz AXOXRFXBXFJJMP-ZDUSSCGKSA-N -1 3 331.393 3.512 20 0 EHADHM COc1cc(OC)cc([C@H](N[C@H](C)c2cccc(Cl)c2)C(=O)[O-])c1 ZINC000832050091 602164265 /nfs/dbraw/zinc/16/42/65/602164265.db2.gz MICZBBOECMGHBX-DIFFPNOSSA-N -1 3 349.814 3.834 20 0 EHADHM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000262952690 602231539 /nfs/dbraw/zinc/23/15/39/602231539.db2.gz AZHXWAHLCCVZKT-CYBMUJFWSA-N -1 3 338.407 3.584 20 0 EHADHM COc1ccccc1[C@H](NC1CCN(C(=O)[O-])CC1)c1ccccc1 ZINC000829611571 604192207 /nfs/dbraw/zinc/19/22/07/604192207.db2.gz PHJZFRORLGBTRM-LJQANCHMSA-N -1 3 340.423 3.517 20 0 EHADHM C[C@H](NC[C@H](NC(=O)[O-])c1ccccc1)c1ccc2ccccc2n1 ZINC000825483789 604379657 /nfs/dbraw/zinc/37/96/57/604379657.db2.gz AKNBUAGBGAPTQP-LIRRHRJNSA-N -1 3 335.407 3.894 20 0 EHADHM C[C@]1(NCc2coc(-c3cccc(F)c3)n2)CCCC[C@@H]1C(=O)[O-] ZINC000833568276 604820746 /nfs/dbraw/zinc/82/07/46/604820746.db2.gz CSISPIQFPYPGOZ-QAPCUYQASA-N -1 3 332.375 3.604 20 0 EHADHM Cc1ccc(-c2nc(CN[C@@]3(C)CCCC[C@H]3C(=O)[O-])co2)cc1 ZINC000833746386 605062258 /nfs/dbraw/zinc/06/22/58/605062258.db2.gz CTCGCVBTKCCLEL-LPHOPBHVSA-N -1 3 328.412 3.773 20 0 EHADHM C[C@@H]1C[C@@H]1[C@@H](N[C@H](C(=O)[O-])c1cccnc1)c1ccc(Cl)cc1 ZINC000833603658 605079284 /nfs/dbraw/zinc/07/92/84/605079284.db2.gz GPPMGQYPCODAGQ-HSHDSVGOSA-N -1 3 330.815 3.848 20 0 EHADHM C[C@H](Oc1ccc(CNC(C)(C)c2cccc(F)c2)cc1)C(=O)[O-] ZINC000833543580 605096627 /nfs/dbraw/zinc/09/66/27/605096627.db2.gz ZNNJITSEJNIJGN-ZDUSSCGKSA-N -1 3 331.387 3.703 20 0 EHADHM CC[C@@](NCc1cc(Cl)cc2c1OCC2)(C(=O)[O-])c1ccccc1 ZINC000833644425 605381853 /nfs/dbraw/zinc/38/18/53/605381853.db2.gz PJWBFCMQDIEFNT-IBGZPJMESA-N -1 3 345.826 3.755 20 0 EHADHM C[C@H]1CC[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000824915738 607757473 /nfs/dbraw/zinc/75/74/73/607757473.db2.gz HYTZKLAFZLYYGO-SJCJKPOMSA-N -1 3 348.410 3.627 20 0 EHADHM C[C@H]1CC[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000824915738 607757474 /nfs/dbraw/zinc/75/74/74/607757474.db2.gz HYTZKLAFZLYYGO-SJCJKPOMSA-N -1 3 348.410 3.627 20 0 EHADHM CCCN(Cc1csc(-c2ccoc2)n1)C1CCN(C(=O)[O-])CC1 ZINC000826916682 605474655 /nfs/dbraw/zinc/47/46/55/605474655.db2.gz PQGAHIDRXWPOCS-UHFFFAOYSA-N -1 3 349.456 3.758 20 0 EHADHM O=C([O-])N1CCC[C@H](CCN[C@H](c2ccccc2)c2ccccn2)C1 ZINC000834098708 605609609 /nfs/dbraw/zinc/60/96/09/605609609.db2.gz LLVFOJQGDRZLIM-VQIMIIECSA-N -1 3 339.439 3.541 20 0 EHADHM O=C([O-])N[C@@H]1C[C@@H](N[C@@H]2CCCOc3ccccc32)c2ccccc21 ZINC000834160778 605798345 /nfs/dbraw/zinc/79/83/45/605798345.db2.gz WFQAXVLZUIRQAZ-KZNAEPCWSA-N -1 3 338.407 3.944 20 0 EHADHM O=C([O-])N[C@@H]1C[C@@H](N[C@H]2CCCOc3ccccc32)c2ccccc21 ZINC000834160780 605798349 /nfs/dbraw/zinc/79/83/49/605798349.db2.gz WFQAXVLZUIRQAZ-RCCFBDPRSA-N -1 3 338.407 3.944 20 0 EHADHM CCN(Cc1nc(C)c(C)s1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821230054 606100875 /nfs/dbraw/zinc/10/08/75/606100875.db2.gz AOVAWDFTXYYNNT-LBPRGKRZSA-N -1 3 342.472 3.523 20 0 EHADHM CC[C@@H](C)Oc1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000820876035 606213336 /nfs/dbraw/zinc/21/33/36/606213336.db2.gz KNLAVYGNTLMBRZ-LLVKDONJSA-N -1 3 329.429 3.718 20 0 EHADHM CC[C@@H](C)Oc1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000820876035 606213337 /nfs/dbraw/zinc/21/33/37/606213337.db2.gz KNLAVYGNTLMBRZ-LLVKDONJSA-N -1 3 329.429 3.718 20 0 EHADHM C/C=C(/C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820826226 606282978 /nfs/dbraw/zinc/28/29/78/606282978.db2.gz LINARTBIKOGMFY-BASWHVEKSA-N -1 3 335.367 3.564 20 0 EHADHM C/C=C(/C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820826226 606282980 /nfs/dbraw/zinc/28/29/80/606282980.db2.gz LINARTBIKOGMFY-BASWHVEKSA-N -1 3 335.367 3.564 20 0 EHADHM C[C@@H](OC(=O)c1cccc(F)c1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820511696 606346459 /nfs/dbraw/zinc/34/64/59/606346459.db2.gz AYODKVXLKUDBKX-SECBINFHSA-N -1 3 346.749 3.577 20 0 EHADHM C[C@@H](OC(=O)c1cccc(F)c1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820511696 606346461 /nfs/dbraw/zinc/34/64/61/606346461.db2.gz AYODKVXLKUDBKX-SECBINFHSA-N -1 3 346.749 3.577 20 0 EHADHM C[C@@H](OC(=O)C[C@H](C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820225138 606350479 /nfs/dbraw/zinc/35/04/79/606350479.db2.gz BQWQQRHZTBKTKN-UONOGXRCSA-N -1 3 336.395 3.665 20 0 EHADHM C[C@@H](OC(=O)C[C@H](C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820225138 606350480 /nfs/dbraw/zinc/35/04/80/606350480.db2.gz BQWQQRHZTBKTKN-UONOGXRCSA-N -1 3 336.395 3.665 20 0 EHADHM CC(C)Oc1ccc(F)cc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820154926 606454984 /nfs/dbraw/zinc/45/49/84/606454984.db2.gz DBFFALHEUSTANM-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM CC(C)Oc1ccc(F)cc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820154926 606454985 /nfs/dbraw/zinc/45/49/85/606454985.db2.gz DBFFALHEUSTANM-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM CCN(C(=O)[C@H](C)C1CCCC1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149118 606531490 /nfs/dbraw/zinc/53/14/90/606531490.db2.gz SEKRZZIMALJHMK-KGLIPLIRSA-N -1 3 341.459 3.603 20 0 EHADHM CCN(C(=O)[C@H](C)C1CCCC1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149118 606531493 /nfs/dbraw/zinc/53/14/93/606531493.db2.gz SEKRZZIMALJHMK-KGLIPLIRSA-N -1 3 341.459 3.603 20 0 EHADHM CC(C)CCc1ccccc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820081713 606538572 /nfs/dbraw/zinc/53/85/72/606538572.db2.gz RYJSTCUWSTUGDS-UHFFFAOYSA-N -1 3 349.438 3.637 20 0 EHADHM CC(C)CCc1ccccc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820081713 606538573 /nfs/dbraw/zinc/53/85/73/606538573.db2.gz RYJSTCUWSTUGDS-UHFFFAOYSA-N -1 3 349.438 3.637 20 0 EHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1c(F)cccc1Cl ZINC000821309265 606600055 /nfs/dbraw/zinc/60/00/55/606600055.db2.gz LSQDVOSZAFUCSX-UHFFFAOYSA-N -1 3 346.797 3.703 20 0 EHADHM c1sc(C2CCCC2)nc1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000823742840 606657044 /nfs/dbraw/zinc/65/70/44/606657044.db2.gz LZMGZUKMSUOKIO-UHFFFAOYSA-N -1 3 326.429 3.593 20 0 EHADHM Fc1ccccc1[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC000822792498 606734044 /nfs/dbraw/zinc/73/40/44/606734044.db2.gz YUAGJIAMCAHIQD-KRWDZBQOSA-N -1 3 338.390 3.744 20 0 EHADHM Fc1ccccc1[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC000822792498 606734046 /nfs/dbraw/zinc/73/40/46/606734046.db2.gz YUAGJIAMCAHIQD-KRWDZBQOSA-N -1 3 338.390 3.744 20 0 EHADHM Fc1ccc(-c2nnn[n-]2)c(CSC2=Nc3ccccc3C2)c1 ZINC000822758665 607040318 /nfs/dbraw/zinc/04/03/18/607040318.db2.gz VMXOWLYFKUCMGP-UHFFFAOYSA-N -1 3 325.372 3.525 20 0 EHADHM Fc1ccc(-c2nn[n-]n2)c(CSC2=Nc3ccccc3C2)c1 ZINC000822758665 607040320 /nfs/dbraw/zinc/04/03/20/607040320.db2.gz VMXOWLYFKUCMGP-UHFFFAOYSA-N -1 3 325.372 3.525 20 0 EHADHM Clc1cc(-c2nn[n-]n2)ccc1NCc1cccc2cccnc21 ZINC000822563662 607126344 /nfs/dbraw/zinc/12/63/44/607126344.db2.gz LWMGZDUGTHEHAY-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM CCc1sc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1C ZINC000821564076 607190788 /nfs/dbraw/zinc/19/07/88/607190788.db2.gz SNLZABUAYGDZMM-UHFFFAOYSA-N -1 3 347.831 3.705 20 0 EHADHM CCc1sc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1C ZINC000821564076 607190789 /nfs/dbraw/zinc/19/07/89/607190789.db2.gz SNLZABUAYGDZMM-UHFFFAOYSA-N -1 3 347.831 3.705 20 0 EHADHM CCCCC[C@@H]1CCCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821049643 607194038 /nfs/dbraw/zinc/19/40/38/607194038.db2.gz MDFBMLMZMFKEGC-CYBMUJFWSA-N -1 3 346.410 3.582 20 0 EHADHM CCCCC[C@@H]1CCCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821049643 607194039 /nfs/dbraw/zinc/19/40/39/607194039.db2.gz MDFBMLMZMFKEGC-CYBMUJFWSA-N -1 3 346.410 3.582 20 0 EHADHM CC(C)C[C@H]1CCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820069316 607202178 /nfs/dbraw/zinc/20/21/78/607202178.db2.gz ZXRRTHNFADCLMU-GFCCVEGCSA-N -1 3 348.838 3.563 20 0 EHADHM CC(C)C[C@H]1CCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820069316 607202179 /nfs/dbraw/zinc/20/21/79/607202179.db2.gz ZXRRTHNFADCLMU-GFCCVEGCSA-N -1 3 348.838 3.563 20 0 EHADHM Cc1cc(Cl)ccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822202224 607235806 /nfs/dbraw/zinc/23/58/06/607235806.db2.gz QNMQALDHWPXGNC-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1cc(Cl)ccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822202224 607235807 /nfs/dbraw/zinc/23/58/07/607235807.db2.gz QNMQALDHWPXGNC-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Fc1ccc(-c2nnn[n-]2)cc1CSCCCCC(F)(F)F ZINC000826373794 607786084 /nfs/dbraw/zinc/78/60/84/607786084.db2.gz ZVFIMYNNNGLWOS-UHFFFAOYSA-N -1 3 334.342 3.972 20 0 EHADHM CCN(C(=O)CC[C@H](C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825372226 607798348 /nfs/dbraw/zinc/79/83/48/607798348.db2.gz SUFYEBTVCHLEGM-HNNXBMFYSA-N -1 3 349.438 3.804 20 0 EHADHM CCN(C(=O)CC[C@H](C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825372226 607798349 /nfs/dbraw/zinc/79/83/49/607798349.db2.gz SUFYEBTVCHLEGM-HNNXBMFYSA-N -1 3 349.438 3.804 20 0 EHADHM COc1cc(Cl)c(C=Cc2ccc(-c3nnn[n-]3)cn2)cc1Cl ZINC000826180256 607814086 /nfs/dbraw/zinc/81/40/86/607814086.db2.gz ZLIXBVRCOBMHKE-DUXPYHPUSA-N -1 3 348.193 3.748 20 0 EHADHM COc1cc(Cl)c(C=Cc2ccc(-c3nn[n-]n3)cn2)cc1Cl ZINC000826180256 607814087 /nfs/dbraw/zinc/81/40/87/607814087.db2.gz ZLIXBVRCOBMHKE-DUXPYHPUSA-N -1 3 348.193 3.748 20 0 EHADHM CC(C)c1cnc(CSc2ccc(-c3nnn[n-]3)cc2Cl)o1 ZINC000824352532 607844522 /nfs/dbraw/zinc/84/45/22/607844522.db2.gz HKPHKHLKAXADLL-UHFFFAOYSA-N -1 3 335.820 3.924 20 0 EHADHM CC(C)c1cnc(CSc2ccc(-c3nn[n-]n3)cc2Cl)o1 ZINC000824352532 607844523 /nfs/dbraw/zinc/84/45/23/607844523.db2.gz HKPHKHLKAXADLL-UHFFFAOYSA-N -1 3 335.820 3.924 20 0 EHADHM Cc1cccc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1Cl ZINC000826295851 607860254 /nfs/dbraw/zinc/86/02/54/607860254.db2.gz ASPODMMALKNJFQ-LLVKDONJSA-N -1 3 342.786 3.747 20 0 EHADHM Cc1cccc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1Cl ZINC000826295851 607860255 /nfs/dbraw/zinc/86/02/55/607860255.db2.gz ASPODMMALKNJFQ-LLVKDONJSA-N -1 3 342.786 3.747 20 0 EHADHM CC[C@@H](C)c1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000825074039 607948664 /nfs/dbraw/zinc/94/86/64/607948664.db2.gz CZNVESFBLVMAEJ-CYBMUJFWSA-N -1 3 347.422 3.583 20 0 EHADHM CC[C@@H](C)c1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000825074039 607948665 /nfs/dbraw/zinc/94/86/65/607948665.db2.gz CZNVESFBLVMAEJ-CYBMUJFWSA-N -1 3 347.422 3.583 20 0 EHADHM Cc1cc2c(ncnc2Oc2ccc(-c3nnn[n-]3)cc2Cl)s1 ZINC000826272803 608047517 /nfs/dbraw/zinc/04/75/17/608047517.db2.gz BSKSACMTZKLSIY-UHFFFAOYSA-N -1 3 344.787 3.626 20 0 EHADHM Cc1cc2c(ncnc2Oc2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000826272803 608047518 /nfs/dbraw/zinc/04/75/18/608047518.db2.gz BSKSACMTZKLSIY-UHFFFAOYSA-N -1 3 344.787 3.626 20 0 EHADHM CC(C)(C)[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000824080110 608149730 /nfs/dbraw/zinc/14/97/30/608149730.db2.gz URUVFZATKNIRIK-RISCZKNCSA-N -1 3 335.839 3.526 20 0 EHADHM CC(C)(C)[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000824080110 608149731 /nfs/dbraw/zinc/14/97/31/608149731.db2.gz URUVFZATKNIRIK-RISCZKNCSA-N -1 3 335.839 3.526 20 0 EHADHM S=C(Nc1ccc(C2CC2)cc1)Nc1ccccc1-c1nnn[n-]1 ZINC000826512085 608219593 /nfs/dbraw/zinc/21/95/93/608219593.db2.gz OAPLEHWTQJJUBP-UHFFFAOYSA-N -1 3 336.424 3.553 20 0 EHADHM S=C(Nc1ccc(C2CC2)cc1)Nc1ccccc1-c1nn[n-]n1 ZINC000826512085 608219595 /nfs/dbraw/zinc/21/95/95/608219595.db2.gz OAPLEHWTQJJUBP-UHFFFAOYSA-N -1 3 336.424 3.553 20 0 EHADHM Cc1ccc([C@H](C)Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000826282671 608223502 /nfs/dbraw/zinc/22/35/02/608223502.db2.gz ADVZTLMCNQGOTP-ZDUSSCGKSA-N -1 3 330.395 3.896 20 0 EHADHM Cc1ccc([C@H](C)Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000826282671 608223504 /nfs/dbraw/zinc/22/35/04/608223504.db2.gz ADVZTLMCNQGOTP-ZDUSSCGKSA-N -1 3 330.395 3.896 20 0 EHADHM c1ccc2c(c1)SC[C@@H]2Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826524205 608229386 /nfs/dbraw/zinc/22/93/86/608229386.db2.gz MOELECDDVUYPMS-HNNXBMFYSA-N -1 3 346.419 3.674 20 0 EHADHM c1ccc2c(c1)SC[C@@H]2Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826524205 608229388 /nfs/dbraw/zinc/22/93/88/608229388.db2.gz MOELECDDVUYPMS-HNNXBMFYSA-N -1 3 346.419 3.674 20 0 EHADHM Fc1cccc([C@H](Nc2ccc(-c3nn[n-]n3)cc2)c2ccccn2)c1 ZINC000826376936 608234480 /nfs/dbraw/zinc/23/44/80/608234480.db2.gz YNIMXTHKPTVSSY-SFHVURJKSA-N -1 3 346.369 3.602 20 0 EHADHM C[C@@H](NC(=O)Nc1ccc(C2CC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824506051 608272559 /nfs/dbraw/zinc/27/25/59/608272559.db2.gz KFTDARUKCLXHQH-GFCCVEGCSA-N -1 3 348.410 3.627 20 0 EHADHM C[C@@H](NC(=O)Nc1ccc(C2CC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824506051 608272560 /nfs/dbraw/zinc/27/25/60/608272560.db2.gz KFTDARUKCLXHQH-GFCCVEGCSA-N -1 3 348.410 3.627 20 0 EHADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cccc(SC)c1C ZINC000826184175 608389078 /nfs/dbraw/zinc/38/90/78/608389078.db2.gz NDYWKXBDAOKSEO-UHFFFAOYSA-N -1 3 341.440 3.518 20 0 EHADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cccc(SC)c1C ZINC000826184175 608389079 /nfs/dbraw/zinc/38/90/79/608389079.db2.gz NDYWKXBDAOKSEO-UHFFFAOYSA-N -1 3 341.440 3.518 20 0 EHADHM Cc1nc(CSCc2cccc(-c3nnn[n-]3)c2F)sc1C ZINC000826326173 608404528 /nfs/dbraw/zinc/40/45/28/608404528.db2.gz DTMWPIUPUOORIL-UHFFFAOYSA-N -1 3 335.433 3.513 20 0 EHADHM Cc1nc(CSCc2cccc(-c3nn[n-]n3)c2F)sc1C ZINC000826326173 608404531 /nfs/dbraw/zinc/40/45/31/608404531.db2.gz DTMWPIUPUOORIL-UHFFFAOYSA-N -1 3 335.433 3.513 20 0 EHADHM C[C@@H](NCc1cccc(-c2nnn[n-]2)c1F)c1ccccc1Cl ZINC000824617883 608649547 /nfs/dbraw/zinc/64/95/47/608649547.db2.gz KXXMNDYGNQTCRE-SNVBAGLBSA-N -1 3 331.782 3.510 20 0 EHADHM C[C@@H](NCc1cccc(-c2nn[n-]n2)c1F)c1ccccc1Cl ZINC000824617883 608649552 /nfs/dbraw/zinc/64/95/52/608649552.db2.gz KXXMNDYGNQTCRE-SNVBAGLBSA-N -1 3 331.782 3.510 20 0 EHADHM C[C@@H](N[C@H](C)c1cccc(F)c1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824532236 609155487 /nfs/dbraw/zinc/15/54/87/609155487.db2.gz SWVMRLBNYVRABR-NXEZZACHSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@@H](N[C@H](C)c1cccc(F)c1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824532236 609155488 /nfs/dbraw/zinc/15/54/88/609155488.db2.gz SWVMRLBNYVRABR-NXEZZACHSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2F)[C@H](c2ccco2)C1 ZINC000824963187 609164602 /nfs/dbraw/zinc/16/46/02/609164602.db2.gz ZNQBIVURZHYGJS-NHYWBVRUSA-N -1 3 327.363 3.576 20 0 EHADHM Cc1ccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1OC(F)F ZINC000826291476 609237671 /nfs/dbraw/zinc/23/76/71/609237671.db2.gz IJLREWSPSJAAAF-LLVKDONJSA-N -1 3 345.353 3.950 20 0 EHADHM Cc1ccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OC(F)F ZINC000826291476 609237672 /nfs/dbraw/zinc/23/76/72/609237672.db2.gz IJLREWSPSJAAAF-LLVKDONJSA-N -1 3 345.353 3.950 20 0 EHADHM CSCc1ccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826229249 609278688 /nfs/dbraw/zinc/27/86/88/609278688.db2.gz WJQRLPXYWKSDKL-GFCCVEGCSA-N -1 3 325.441 3.903 20 0 EHADHM CSCc1ccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826229249 609278689 /nfs/dbraw/zinc/27/86/89/609278689.db2.gz WJQRLPXYWKSDKL-GFCCVEGCSA-N -1 3 325.441 3.903 20 0 EHADHM C[C@@H](Nc1ccc(F)cc1OC(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000824655821 609279506 /nfs/dbraw/zinc/27/95/06/609279506.db2.gz FYWGRMBHFFNSRO-SECBINFHSA-N -1 3 349.316 3.780 20 0 EHADHM C[C@@H](Nc1ccc(F)cc1OC(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824655821 609279507 /nfs/dbraw/zinc/27/95/07/609279507.db2.gz FYWGRMBHFFNSRO-SECBINFHSA-N -1 3 349.316 3.780 20 0 EHADHM CCC[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F)c1ccccn1 ZINC000825242565 609333374 /nfs/dbraw/zinc/33/33/74/609333374.db2.gz VBAKUGRAUNZFNA-YVEFUNNKSA-N -1 3 340.406 3.593 20 0 EHADHM CSc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826230695 609346911 /nfs/dbraw/zinc/34/69/11/609346911.db2.gz FVFCTAIRYFJBRD-SNVBAGLBSA-N -1 3 329.404 3.901 20 0 EHADHM CSc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826230695 609346913 /nfs/dbraw/zinc/34/69/13/609346913.db2.gz FVFCTAIRYFJBRD-SNVBAGLBSA-N -1 3 329.404 3.901 20 0 EHADHM CC(C)Oc1ccc(NCc2cccc(-c3nnn[n-]3)c2F)c(F)c1 ZINC000824329197 609474841 /nfs/dbraw/zinc/47/48/41/609474841.db2.gz KYPKMVPBNSTCIW-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM CC(C)Oc1ccc(NCc2cccc(-c3nn[n-]n3)c2F)c(F)c1 ZINC000824329197 609474842 /nfs/dbraw/zinc/47/48/42/609474842.db2.gz KYPKMVPBNSTCIW-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM Cc1ccnc(N[C@H](c2ccc(F)cc2)C(C)C)c1-c1nnn[n-]1 ZINC000826311620 609525666 /nfs/dbraw/zinc/52/56/66/609525666.db2.gz JMCBZZADHUZAPM-HNNXBMFYSA-N -1 3 326.379 3.518 20 0 EHADHM Cc1ccnc(N[C@H](c2ccc(F)cc2)C(C)C)c1-c1nn[n-]n1 ZINC000826311620 609525668 /nfs/dbraw/zinc/52/56/68/609525668.db2.gz JMCBZZADHUZAPM-HNNXBMFYSA-N -1 3 326.379 3.518 20 0 EHADHM C[C@H]1CC[C@H](C(F)(F)F)CN1c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824910248 609576431 /nfs/dbraw/zinc/57/64/31/609576431.db2.gz WJRQJHYIOXMNCS-IUCAKERBSA-N -1 3 345.756 3.687 20 0 EHADHM C[C@H]1CC[C@H](C(F)(F)F)CN1c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824910248 609576432 /nfs/dbraw/zinc/57/64/32/609576432.db2.gz WJRQJHYIOXMNCS-IUCAKERBSA-N -1 3 345.756 3.687 20 0 EHADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc2ccccc2c1 ZINC000439803506 944632707 /nfs/dbraw/zinc/63/27/07/944632707.db2.gz FWVCFBZPCCIKPM-ZDUSSCGKSA-N -1 3 343.390 3.762 20 0 EHADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2ccccc2c1 ZINC000439803506 944632714 /nfs/dbraw/zinc/63/27/14/944632714.db2.gz FWVCFBZPCCIKPM-ZDUSSCGKSA-N -1 3 343.390 3.762 20 0 EHADHM C[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3ccccc32)Cc2ccccc21 ZINC000736289113 944787709 /nfs/dbraw/zinc/78/77/09/944787709.db2.gz JQNDDHFXVWBJOD-CYBMUJFWSA-N -1 3 342.406 3.539 20 0 EHADHM C[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3ccccc32)Cc2ccccc21 ZINC000736289113 944787715 /nfs/dbraw/zinc/78/77/15/944787715.db2.gz JQNDDHFXVWBJOD-CYBMUJFWSA-N -1 3 342.406 3.539 20 0 EHADHM CCSc1ccc([C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000821461094 945700341 /nfs/dbraw/zinc/70/03/41/945700341.db2.gz JKWLFHAMUKWUQS-NSHDSACASA-N -1 3 326.429 3.547 20 0 EHADHM CCSc1ccc([C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000821461094 945700348 /nfs/dbraw/zinc/70/03/48/945700348.db2.gz JKWLFHAMUKWUQS-NSHDSACASA-N -1 3 326.429 3.547 20 0 EHADHM CN(C(=O)c1cc(-c2nnn[n-]2)cs1)C1CCC(C(C)(C)C)CC1 ZINC000821573506 945720015 /nfs/dbraw/zinc/72/00/15/945720015.db2.gz SHOYIHKTLUCDFG-UHFFFAOYSA-N -1 3 347.488 3.605 20 0 EHADHM CN(C(=O)c1cc(-c2nn[n-]n2)cs1)C1CCC(C(C)(C)C)CC1 ZINC000821573506 945720021 /nfs/dbraw/zinc/72/00/21/945720021.db2.gz SHOYIHKTLUCDFG-UHFFFAOYSA-N -1 3 347.488 3.605 20 0 EHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@@H]1c1ccco1 ZINC000822331956 946055798 /nfs/dbraw/zinc/05/57/98/946055798.db2.gz JVVUHQPRHXAANU-OAHLLOKOSA-N -1 3 346.394 3.658 20 0 EHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCC[C@@H]1c1ccco1 ZINC000822331956 946055812 /nfs/dbraw/zinc/05/58/12/946055812.db2.gz JVVUHQPRHXAANU-OAHLLOKOSA-N -1 3 346.394 3.658 20 0 EHADHM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NCc1cc(C(=O)[O-])c(C)n1C ZINC000326422201 971291970 /nfs/dbraw/zinc/29/19/70/971291970.db2.gz RKMWSBIWZFPNPY-INIZCTEOSA-N -1 3 330.428 3.736 20 0 EHADHM CC(=O)c1cccc(-c2nnn[n-]2)c1OCC[C@@H]1CCc2ccccc21 ZINC001573555471 946911561 /nfs/dbraw/zinc/91/15/61/946911561.db2.gz NFHMZCNWYJOBEK-HNNXBMFYSA-N -1 3 348.406 3.568 20 0 EHADHM CC(=O)c1cccc(-c2nn[n-]n2)c1OCC[C@@H]1CCc2ccccc21 ZINC001573555471 946911568 /nfs/dbraw/zinc/91/15/68/946911568.db2.gz NFHMZCNWYJOBEK-HNNXBMFYSA-N -1 3 348.406 3.568 20 0 EHADHM COc1ccccc1-c1nc2cc(F)ccc2c(C)c1-c1nnn[n-]1 ZINC000826217752 947638808 /nfs/dbraw/zinc/63/88/08/947638808.db2.gz APGMJMGYIILFII-UHFFFAOYSA-N -1 3 335.342 3.538 20 0 EHADHM COc1ccccc1-c1nc2cc(F)ccc2c(C)c1-c1nn[n-]n1 ZINC000826217752 947638813 /nfs/dbraw/zinc/63/88/13/947638813.db2.gz APGMJMGYIILFII-UHFFFAOYSA-N -1 3 335.342 3.538 20 0 EHADHM CC(=CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cccs1 ZINC001573362050 947702016 /nfs/dbraw/zinc/70/20/16/947702016.db2.gz HUPHYHTXDURDFT-CLFYSBASSA-N -1 3 345.815 3.624 20 0 EHADHM CC(=CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cccs1 ZINC001573362050 947702022 /nfs/dbraw/zinc/70/20/22/947702022.db2.gz HUPHYHTXDURDFT-CLFYSBASSA-N -1 3 345.815 3.624 20 0 EHADHM Cc1ccccc1CN[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000826307582 947883536 /nfs/dbraw/zinc/88/35/36/947883536.db2.gz OIAWURPSIGXWKM-OAHLLOKOSA-N -1 3 347.344 3.568 20 0 EHADHM Cc1ccccc1CN[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000826307582 947883544 /nfs/dbraw/zinc/88/35/44/947883544.db2.gz OIAWURPSIGXWKM-OAHLLOKOSA-N -1 3 347.344 3.568 20 0 EHADHM Clc1cccc(SCc2cccnc2Cl)c1-c1nnn[n-]1 ZINC000826353562 948104413 /nfs/dbraw/zinc/10/44/13/948104413.db2.gz VGMKNWKYJTWFGH-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM Clc1cccc(SCc2cccnc2Cl)c1-c1nn[n-]n1 ZINC000826353562 948104420 /nfs/dbraw/zinc/10/44/20/948104420.db2.gz VGMKNWKYJTWFGH-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM C[C@@H](C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1)c1cccs1 ZINC001573756189 948801786 /nfs/dbraw/zinc/80/17/86/948801786.db2.gz NJVGCEKKRZSOBJ-SNVBAGLBSA-N -1 3 339.424 3.548 20 0 EHADHM C[C@@H](C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1)c1cccs1 ZINC001573756189 948801794 /nfs/dbraw/zinc/80/17/94/948801794.db2.gz NJVGCEKKRZSOBJ-SNVBAGLBSA-N -1 3 339.424 3.548 20 0 EHADHM CC[C@H](c1ccccc1)N1CCN(Cc2cccc(C(=O)[O-])c2)CC1 ZINC001589586262 949052498 /nfs/dbraw/zinc/05/24/98/949052498.db2.gz RLUACTYWNBZRMP-HXUWFJFHSA-N -1 3 338.451 3.654 20 0 EHADHM C[C@@H](N(C)c1cc(Br)ccc1-c1nnn[n-]1)C(C)(C)C ZINC001575248241 949062862 /nfs/dbraw/zinc/06/28/62/949062862.db2.gz PXYXEWFVSRQVLI-SECBINFHSA-N -1 3 338.253 3.500 20 0 EHADHM C[C@@H](N(C)c1cc(Br)ccc1-c1nn[n-]n1)C(C)(C)C ZINC001575248241 949062879 /nfs/dbraw/zinc/06/28/79/949062879.db2.gz PXYXEWFVSRQVLI-SECBINFHSA-N -1 3 338.253 3.500 20 0 EHADHM O=C([O-])c1ccccc1OCCN1CCC(OC2CCCCC2)CC1 ZINC001595257820 949638337 /nfs/dbraw/zinc/63/83/37/949638337.db2.gz RJNIFCLIGWAMOT-UHFFFAOYSA-N -1 3 347.455 3.577 20 0 EHADHM C[C@@H](CNc1cc(F)ccc1-c1nnn[n-]1)Oc1cccc(Cl)c1 ZINC001575124552 952031427 /nfs/dbraw/zinc/03/14/27/952031427.db2.gz UCXUUORNFYXUFM-JTQLQIEISA-N -1 3 347.781 3.539 20 0 EHADHM C[C@@H](CNc1cc(F)ccc1-c1nn[n-]n1)Oc1cccc(Cl)c1 ZINC001575124552 952031435 /nfs/dbraw/zinc/03/14/35/952031435.db2.gz UCXUUORNFYXUFM-JTQLQIEISA-N -1 3 347.781 3.539 20 0 EHADHM C[C@H](CNc1nc(C(C)(C)C)ccc1-c1nnn[n-]1)c1ccccc1 ZINC001575166716 952328969 /nfs/dbraw/zinc/32/89/69/952328969.db2.gz XQQDEXFANDFAOZ-CYBMUJFWSA-N -1 3 336.443 3.775 20 0 EHADHM C[C@H](CNc1nc(C(C)(C)C)ccc1-c1nn[n-]n1)c1ccccc1 ZINC001575166716 952328974 /nfs/dbraw/zinc/32/89/74/952328974.db2.gz XQQDEXFANDFAOZ-CYBMUJFWSA-N -1 3 336.443 3.775 20 0 EHADHM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000422636187 953427049 /nfs/dbraw/zinc/42/70/49/953427049.db2.gz OSTANPFNKYAAOY-SWLSCSKDSA-N -1 3 337.847 3.671 20 0 EHADHM C[C@H](c1ccc(Br)cc1)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263143654 1125472162 /nfs/dbraw/zinc/47/21/62/1125472162.db2.gz DVCAAKCSTNTAQF-NQBHXWOUSA-N -1 3 326.234 3.553 20 0 EHADHM O=C([O-])c1ccc(CN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000263405488 962570061 /nfs/dbraw/zinc/57/00/61/962570061.db2.gz JOJHZARRJSDBLN-UHFFFAOYSA-N -1 3 341.382 3.619 20 0 EHADHM C[C@@H](c1ccc(Br)cc1)N1CCC[C@H](CC(=O)[O-])C1 ZINC000086756841 967574633 /nfs/dbraw/zinc/57/46/33/967574633.db2.gz QXZHQAHVGZSCRS-NWDGAFQWSA-N -1 3 326.234 3.697 20 0 EHADHM C[C@@H]1CCN(Cc2cc(Cl)ccc2OCC2CC2)C[C@H]1C(=O)[O-] ZINC000564972195 968421901 /nfs/dbraw/zinc/42/19/01/968421901.db2.gz SXFZFCGAJMHFCL-MLGOLLRUSA-N -1 3 337.847 3.671 20 0 EHADHM CC[C@]1(C(=O)[O-])CCCN(Cc2coc(-c3ccccc3F)n2)C1 ZINC000923474504 969653909 /nfs/dbraw/zinc/65/39/09/969653909.db2.gz XZMJUHMCJIRWGJ-SFHVURJKSA-N -1 3 332.375 3.558 20 0 EHADHM O=C([O-])[C@@H](NCc1cccc(-c2ccccn2)c1)c1ccc(F)cc1 ZINC000426775464 974048161 /nfs/dbraw/zinc/04/81/61/974048161.db2.gz BDDCNBJECJTOML-IBGZPJMESA-N -1 3 336.366 3.803 20 0 EHADHM COc1cccc(-c2csc(CN3C[C@H](C(=O)[O-])CC[C@@H]3C)n2)c1 ZINC001604854484 974093398 /nfs/dbraw/zinc/09/33/98/974093398.db2.gz BMIRHILKDOKPSB-GXTWGEPZSA-N -1 3 346.452 3.504 20 0 EHADHM C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000516188453 974305078 /nfs/dbraw/zinc/30/50/78/974305078.db2.gz DJYFFTNZUOAMOO-VBKZILBWSA-N -1 3 342.439 3.761 20 0 EHADHM Cc1cccc([C@@H]2CCCCCN2Cc2cnc(C(=O)[O-])cn2)c1 ZINC000530162868 974359263 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O=C(Nc1ccc(Cl)cc1[O-])c1cccc(OC[C@H]2CCCO2)c1 ZINC000153419214 1036602363 /nfs/dbraw/zinc/60/23/63/1036602363.db2.gz VIJKIBAAOPIATO-OAHLLOKOSA-N -1 3 347.798 3.856 20 0 EHADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)ccc3c2)cc1 ZINC000057119892 1036699708 /nfs/dbraw/zinc/69/97/08/1036699708.db2.gz YRQNTPDSUFOYSP-UHFFFAOYSA-N -1 3 343.404 3.546 20 0 EHADHM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000263330072 1036792401 /nfs/dbraw/zinc/79/24/01/1036792401.db2.gz LIKHXSIUNUGKOC-AAEUAGOBSA-N -1 3 334.803 3.538 20 0 EHADHM CC(=O)c1cccc(NC(=O)C=Cc2ccnc3ccccc23)c1[O-] ZINC000493156708 1036804286 /nfs/dbraw/zinc/80/42/86/1036804286.db2.gz NWTUCXFYGHNQRE-MDZDMXLPSA-N -1 3 332.359 3.795 20 0 EHADHM CCCN(CC(=O)[O-])Cc1cc(Cl)c(C)cc1Br ZINC000263398264 1036853318 /nfs/dbraw/zinc/85/33/18/1036853318.db2.gz HIHOZOLVCKGSPI-UHFFFAOYSA-N -1 3 334.641 3.708 20 0 EHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC(C)C)c2)cc1 ZINC000546885333 1036964113 /nfs/dbraw/zinc/96/41/13/1036964113.db2.gz 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ZINC000913738123 1037696075 /nfs/dbraw/zinc/69/60/75/1037696075.db2.gz KGWOTMBLFOGFLF-IBGZPJMESA-N -1 3 329.371 3.502 20 0 EHADHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC000303781245 1037729626 /nfs/dbraw/zinc/72/96/26/1037729626.db2.gz OIJULJDQOJCXLA-PXAZEXFGSA-N -1 3 333.815 3.860 20 0 EHADHM O=C(Nc1ccc(N2CCCCC2)cc1)c1c[n-]c2ccccc2c1=O ZINC000046025369 1037743131 /nfs/dbraw/zinc/74/31/31/1037743131.db2.gz CEQMANXOVRMQIY-UHFFFAOYSA-N -1 3 347.418 3.771 20 0 EHADHM CCC(CC)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000304248813 1038019800 /nfs/dbraw/zinc/01/98/00/1038019800.db2.gz GONIVKXEDPRHBL-UHFFFAOYSA-N -1 3 340.670 3.569 20 0 EHADHM Cc1c(C(=O)NCc2ccc([O-])c(F)c2)cccc1-c1ccccn1 ZINC000123512128 1038029916 /nfs/dbraw/zinc/02/99/16/1038029916.db2.gz WWTULFBCALSISX-UHFFFAOYSA-N -1 3 336.366 3.832 20 0 EHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000416259527 1038441043 /nfs/dbraw/zinc/44/10/43/1038441043.db2.gz PRRGKDDOJLVIMD-OAHLLOKOSA-N -1 3 349.352 3.586 20 0 EHADHM COc1cccc(F)c1C(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000461892156 1038663757 /nfs/dbraw/zinc/66/37/57/1038663757.db2.gz ZLMGZEQHCHYUFJ-UHFFFAOYSA-N -1 3 329.356 3.605 20 0 EHADHM O=S(=O)([N-][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)c1ccco1 ZINC000416598965 1038829877 /nfs/dbraw/zinc/82/98/77/1038829877.db2.gz OWEDMZPUSYCEIA-GXTWGEPZSA-N -1 3 325.817 3.548 20 0 EHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@@H](c2ccncc2)C1 ZINC000552046253 1038914038 /nfs/dbraw/zinc/91/40/38/1038914038.db2.gz AWIWOSBSYLLKEV-QGZVFWFLSA-N -1 3 332.403 3.960 20 0 EHADHM CC(=O)c1cccc(NC(=O)c2csc(-c3ccoc3)n2)c1[O-] ZINC000552069101 1038937578 /nfs/dbraw/zinc/93/75/78/1038937578.db2.gz BRRRHCUMWAHIGB-UHFFFAOYSA-N -1 3 328.349 3.564 20 0 EHADHM CC[C@@]1(CNCc2c(F)ccc([O-])c2F)OCCc2ccccc21 ZINC000552052131 1038942155 /nfs/dbraw/zinc/94/21/55/1038942155.db2.gz SZJUPVJJSRZJHO-IBGZPJMESA-N -1 3 333.378 3.638 20 0 EHADHM CC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)c1[O-] ZINC000552287549 1039138250 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O=C(Nc1c([O-])cccc1Cl)c1cccc(OC[C@H]2CCCO2)c1 ZINC000552781777 1039526060 /nfs/dbraw/zinc/52/60/60/1039526060.db2.gz XNIMACRZZMNHMX-CQSZACIVSA-N -1 3 347.798 3.856 20 0 EHADHM Cc1cc([O-])c(C(C)C)cc1C(=O)N=c1ccn(Cc2ccccc2)[nH]1 ZINC000552847638 1039563912 /nfs/dbraw/zinc/56/39/12/1039563912.db2.gz JVGOFQCCALXKCE-UHFFFAOYSA-N -1 3 349.434 3.743 20 0 EHADHM CC[C@H]1CCCN1C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000906535388 1039632167 /nfs/dbraw/zinc/63/21/67/1039632167.db2.gz BCABUYXTELFIFU-JTQLQIEISA-N -1 3 325.434 3.505 20 0 EHADHM O=C(NCc1ccc([O-])c(F)c1)C1(c2ccc(F)cc2)CCCC1 ZINC000156221888 1039637033 /nfs/dbraw/zinc/63/70/33/1039637033.db2.gz QQGMRUMUJRXKJY-UHFFFAOYSA-N -1 3 331.362 3.799 20 0 EHADHM O=C(N=c1cc(-c2cccc(F)c2)o[n-]1)c1cc2cc(F)ccc2[nH]1 ZINC000448545033 1039670997 /nfs/dbraw/zinc/67/09/97/1039670997.db2.gz XIZHXVMXCQZIOG-UHFFFAOYSA-N -1 3 339.301 3.775 20 0 EHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC[C@H]1c1ccccc1Cl ZINC000553021536 1039708909 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C[C@@H](CCCCC(=O)[O-])NCc1cccc(F)c1Br ZINC000417544102 1039975086 /nfs/dbraw/zinc/97/50/86/1039975086.db2.gz GZLUMBATDUPNMZ-JTQLQIEISA-N -1 3 332.213 3.711 20 0 EHADHM CC(C)(C[N-]S(=O)(=O)c1coc2ccccc21)CC(F)(F)F ZINC000907299218 1040004181 /nfs/dbraw/zinc/00/41/81/1040004181.db2.gz SSEFVSMCPJGWJY-UHFFFAOYSA-N -1 3 335.347 3.690 20 0 EHADHM COc1cccc(Cl)c1CNC[C@H](Cc1ccc(C)cc1)C(=O)[O-] ZINC000417566340 1040015610 /nfs/dbraw/zinc/01/56/10/1040015610.db2.gz MRJDPFLSCGLISV-HNNXBMFYSA-N -1 3 347.842 3.690 20 0 EHADHM O=C([O-])CSCCNCc1ccc(-c2ccccc2Cl)o1 ZINC000417618446 1040071296 /nfs/dbraw/zinc/07/12/96/1040071296.db2.gz JJZJKJDTGYJJAP-UHFFFAOYSA-N -1 3 325.817 3.507 20 0 EHADHM COCc1cccc(C(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)c1 ZINC000512550857 1040080661 /nfs/dbraw/zinc/08/06/61/1040080661.db2.gz NKKXYGYDOLPUBC-UHFFFAOYSA-N -1 3 335.407 3.514 20 0 EHADHM COc1ccccc1[C@H](C)CC(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000489939202 1040248462 /nfs/dbraw/zinc/24/84/62/1040248462.db2.gz ZQYRIDOKDQMWNA-OAHLLOKOSA-N -1 3 349.434 3.948 20 0 EHADHM O=S(=O)([N-][C@H]1CCCC(F)(F)C1)c1cccc(Cl)c1Cl ZINC000486685764 1040352163 /nfs/dbraw/zinc/35/21/63/1040352163.db2.gz VXOUJOZUTDWJMX-QMMMGPOBSA-N -1 3 344.210 3.850 20 0 EHADHM COc1cc(C(=O)N[C@H](CCC(C)C)C(C)(C)C)cc(OC)c1[O-] ZINC000486741278 1040410909 /nfs/dbraw/zinc/41/09/09/1040410909.db2.gz LAKGKNVTQFRMHK-MRXNPFEDSA-N -1 3 337.460 3.990 20 0 EHADHM [O-]c1cccc(Cl)c1CNCc1nnc(-c2ccccc2)s1 ZINC000151245892 1040706719 /nfs/dbraw/zinc/70/67/19/1040706719.db2.gz NTLSIGLMTXXERV-UHFFFAOYSA-N -1 3 331.828 3.854 20 0 EHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(Cl)c3)c[n-]c12 ZINC000433126686 1040862730 /nfs/dbraw/zinc/86/27/30/1040862730.db2.gz DMHBRUUUZZZFGX-UHFFFAOYSA-N -1 3 330.746 3.881 20 0 EHADHM COc1cccc(OC)c1SCc1noc(-c2ccccc2[O-])n1 ZINC000364339746 1040889484 /nfs/dbraw/zinc/88/94/84/1040889484.db2.gz PKMHBUSSYGNDFT-UHFFFAOYSA-N -1 3 344.392 3.752 20 0 EHADHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000512782446 1040902678 /nfs/dbraw/zinc/90/26/78/1040902678.db2.gz GNFDCTCWVLEDOB-JTQLQIEISA-N -1 3 345.798 3.700 20 0 EHADHM Cc1ccc([C@H]2CCCCN2C(=O)c2ccc3[nH][n-]c(=O)c3c2)o1 ZINC000669142200 1041035144 /nfs/dbraw/zinc/03/51/44/1041035144.db2.gz MZJJVLFYKNLUKF-OAHLLOKOSA-N -1 3 325.368 3.537 20 0 EHADHM CC[C@@H]1CCc2nc(NC(=O)[N-]OCc3ccccc3)sc2C1 ZINC000194474045 1041277567 /nfs/dbraw/zinc/27/75/67/1041277567.db2.gz KPNOLQPCQXFMSL-GFCCVEGCSA-N -1 3 331.441 3.911 20 0 EHADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c1 ZINC000614332125 1041298653 /nfs/dbraw/zinc/29/86/53/1041298653.db2.gz GRVGKXKUVBFRMF-IWKCEXAMSA-N -1 3 345.483 3.746 20 0 EHADHM Cc1cccnc1C(F)(F)C(=O)[N-]Cc1ccc(F)c(Cl)c1 ZINC000195436931 1041436435 /nfs/dbraw/zinc/43/64/35/1041436435.db2.gz DOCVGLDEKVHBOS-UHFFFAOYSA-N -1 3 328.721 3.591 20 0 EHADHM O=C(OCCOC1CCSCC1)c1cc2cc(Cl)sc2[n-]1 ZINC000909334988 1041452025 /nfs/dbraw/zinc/45/20/25/1041452025.db2.gz JJVBMNTWYNLFNR-UHFFFAOYSA-N -1 3 345.873 3.952 20 0 EHADHM 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3.636 20 0 EHADHM C[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CC[C@H]1c1ccccc1 ZINC000820775393 599050710 /nfs/dbraw/zinc/05/07/10/599050710.db2.gz HVRCWBIROPOJDQ-UKRRQHHQSA-N -1 3 337.402 3.636 20 0 EHADHM C[C@H]1CN(c2ccc(F)cc2-c2nnn[n-]2)CC[C@@H]1c1ccccc1 ZINC000820774836 599050964 /nfs/dbraw/zinc/05/09/64/599050964.db2.gz GJOWIBHVIQGLBG-BBRMVZONSA-N -1 3 337.402 3.636 20 0 EHADHM C[C@H]1CN(c2ccc(F)cc2-c2nn[n-]n2)CC[C@@H]1c1ccccc1 ZINC000820774836 599050967 /nfs/dbraw/zinc/05/09/67/599050967.db2.gz GJOWIBHVIQGLBG-BBRMVZONSA-N -1 3 337.402 3.636 20 0 EHADHM c1ccc2c(c1)nc(N1CCC3(C1)CCCCC3)cc2-c1nnn[n-]1 ZINC000823792523 599051363 /nfs/dbraw/zinc/05/13/63/599051363.db2.gz WJNUKSLBMYARAU-UHFFFAOYSA-N -1 3 334.427 3.576 20 0 EHADHM c1ccc2c(c1)nc(N1CCC3(C1)CCCCC3)cc2-c1nn[n-]n1 ZINC000823792523 599051366 /nfs/dbraw/zinc/05/13/66/599051366.db2.gz WJNUKSLBMYARAU-UHFFFAOYSA-N -1 3 334.427 3.576 20 0 EHADHM C[C@@H]1C[C@@H]1[C@H](Nc1ncccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000820667400 599054363 /nfs/dbraw/zinc/05/43/63/599054363.db2.gz MBMVDNXZUIGROX-WKPIXPDZSA-N -1 3 340.818 3.724 20 0 EHADHM C[C@@H]1C[C@@H]1[C@H](Nc1ncccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000820667400 599054366 /nfs/dbraw/zinc/05/43/66/599054366.db2.gz MBMVDNXZUIGROX-WKPIXPDZSA-N -1 3 340.818 3.724 20 0 EHADHM Cc1ccccc1OCCCSc1ccc(-c2nnn[n-]2)cc1F ZINC000737431167 599064422 /nfs/dbraw/zinc/06/44/22/599064422.db2.gz FPRSGLBGKUZFRF-UHFFFAOYSA-N -1 3 344.415 3.875 20 0 EHADHM Cc1ccccc1OCCCSc1ccc(-c2nn[n-]n2)cc1F ZINC000737431167 599064424 /nfs/dbraw/zinc/06/44/24/599064424.db2.gz FPRSGLBGKUZFRF-UHFFFAOYSA-N -1 3 344.415 3.875 20 0 EHADHM Cc1cccc([C@H](C)Nc2c(F)cc(-c3nnn[n-]3)cc2F)c1C ZINC000737390298 599066306 /nfs/dbraw/zinc/06/63/06/599066306.db2.gz SEKOVAHULWQQNY-NSHDSACASA-N -1 3 329.354 3.935 20 0 EHADHM Cc1cccc([C@H](C)Nc2c(F)cc(-c3nn[n-]n3)cc2F)c1C ZINC000737390298 599066308 /nfs/dbraw/zinc/06/63/08/599066308.db2.gz SEKOVAHULWQQNY-NSHDSACASA-N -1 3 329.354 3.935 20 0 EHADHM CCN(C(=O)[C@@H]1CCC[C@@H](C)C1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502346 599071155 /nfs/dbraw/zinc/07/11/55/599071155.db2.gz LYWMFVYMRNWGCL-JKIFEVAISA-N -1 3 341.459 3.603 20 0 EHADHM CCN(C(=O)[C@@H]1CCC[C@@H](C)C1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502346 599071158 /nfs/dbraw/zinc/07/11/58/599071158.db2.gz LYWMFVYMRNWGCL-JKIFEVAISA-N -1 3 341.459 3.603 20 0 EHADHM C[C@H]1C[C@@H](c2ccccc2F)N(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000820667443 599077820 /nfs/dbraw/zinc/07/78/20/599077820.db2.gz MHBGHULRRMFCAA-ZBEGNZNMSA-N -1 3 341.365 3.732 20 0 EHADHM C[C@H]1C[C@@H](c2ccccc2F)N(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000820667443 599077822 /nfs/dbraw/zinc/07/78/22/599077822.db2.gz MHBGHULRRMFCAA-ZBEGNZNMSA-N -1 3 341.365 3.732 20 0 EHADHM CCC(CC)(CC)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736336044 599117472 /nfs/dbraw/zinc/11/74/72/599117472.db2.gz YODBQTXFATVSSQ-UHFFFAOYSA-N -1 3 336.827 3.610 20 0 EHADHM CCC(CC)(CC)NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736336044 599117474 /nfs/dbraw/zinc/11/74/74/599117474.db2.gz YODBQTXFATVSSQ-UHFFFAOYSA-N -1 3 336.827 3.610 20 0 EHADHM CCCCCC[C@@H](CC)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736446804 599194727 /nfs/dbraw/zinc/19/47/27/599194727.db2.gz QEIGTPOHZYXIAV-MRXNPFEDSA-N -1 3 343.475 3.822 20 0 EHADHM CCCCCC[C@@H](CC)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736446804 599194730 /nfs/dbraw/zinc/19/47/30/599194730.db2.gz QEIGTPOHZYXIAV-MRXNPFEDSA-N -1 3 343.475 3.822 20 0 EHADHM c1csc([C@H](Cc2ccccc2)Nc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000738428972 599207364 /nfs/dbraw/zinc/20/73/64/599207364.db2.gz QQYGPPLWVWSAJI-HNNXBMFYSA-N -1 3 348.435 3.719 20 0 EHADHM c1csc([C@H](Cc2ccccc2)Nc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000738428972 599207367 /nfs/dbraw/zinc/20/73/67/599207367.db2.gz QQYGPPLWVWSAJI-HNNXBMFYSA-N -1 3 348.435 3.719 20 0 EHADHM Cc1c(NC(=O)C[C@@H]2CCCc3ccccc32)cccc1-c1nnn[n-]1 ZINC000822067892 607267186 /nfs/dbraw/zinc/26/71/86/607267186.db2.gz LKTPWPDSJYEPEP-HNNXBMFYSA-N -1 3 347.422 3.624 20 0 EHADHM Cc1c(NC(=O)C[C@@H]2CCCc3ccccc32)cccc1-c1nn[n-]n1 ZINC000822067892 607267187 /nfs/dbraw/zinc/26/71/87/607267187.db2.gz LKTPWPDSJYEPEP-HNNXBMFYSA-N -1 3 347.422 3.624 20 0 EHADHM Cc1c(NC(=O)c2ccc3ccccc3c2)cccc1-c1nnn[n-]1 ZINC000822107748 607270104 /nfs/dbraw/zinc/27/01/04/607270104.db2.gz CRQBTIZDHDSHPT-UHFFFAOYSA-N -1 3 329.363 3.581 20 0 EHADHM Cc1c(NC(=O)c2ccc3ccccc3c2)cccc1-c1nn[n-]n1 ZINC000822107748 607270105 /nfs/dbraw/zinc/27/01/05/607270105.db2.gz CRQBTIZDHDSHPT-UHFFFAOYSA-N -1 3 329.363 3.581 20 0 EHADHM Cc1c(NC(=O)c2cc(Cl)cc(Cl)c2)cccc1-c1nnn[n-]1 ZINC000822110126 607269104 /nfs/dbraw/zinc/26/91/04/607269104.db2.gz WIAPRWSJYWUGMH-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1c(NC(=O)c2cc(Cl)cc(Cl)c2)cccc1-c1nn[n-]n1 ZINC000822110126 607269105 /nfs/dbraw/zinc/26/91/05/607269105.db2.gz WIAPRWSJYWUGMH-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM FC(F)(F)c1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000822727871 607310972 /nfs/dbraw/zinc/31/09/72/607310972.db2.gz AANDWQZBRNJGSU-UHFFFAOYSA-N -1 3 325.319 3.559 20 0 EHADHM FC(F)(F)c1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822727871 607310973 /nfs/dbraw/zinc/31/09/73/607310973.db2.gz AANDWQZBRNJGSU-UHFFFAOYSA-N -1 3 325.319 3.559 20 0 EHADHM Clc1cc(N[C@H]2CSc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737564736 599268704 /nfs/dbraw/zinc/26/87/04/599268704.db2.gz JTUYYGHVYBSLGG-ZDUSSCGKSA-N -1 3 329.816 3.779 20 0 EHADHM Clc1cc(N[C@H]2CSc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737564736 599268706 /nfs/dbraw/zinc/26/87/06/599268706.db2.gz JTUYYGHVYBSLGG-ZDUSSCGKSA-N -1 3 329.816 3.779 20 0 EHADHM CC(=O)Nc1ccc(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735489208 599286887 /nfs/dbraw/zinc/28/68/87/599286887.db2.gz VNIDNKSLGUHHIG-LLVKDONJSA-N -1 3 339.424 3.678 20 0 EHADHM CC(=O)Nc1ccc(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735489208 599286888 /nfs/dbraw/zinc/28/68/88/599286888.db2.gz VNIDNKSLGUHHIG-LLVKDONJSA-N -1 3 339.424 3.678 20 0 EHADHM Clc1cccc(CSc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000826353386 607844759 /nfs/dbraw/zinc/84/47/59/607844759.db2.gz NEJPQSFOZYBZEW-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM Clc1cccc(CSc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826353386 607844760 /nfs/dbraw/zinc/84/47/60/607844760.db2.gz NEJPQSFOZYBZEW-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM CCCOCc1ccccc1CNc1ccc(-c2nn[n-]n2)cc1F ZINC000736486903 598239487 /nfs/dbraw/zinc/23/94/87/598239487.db2.gz ANKIWXGZCGJMPP-UHFFFAOYSA-N -1 3 341.390 3.545 20 0 EHADHM FC(F)(F)c1ccccc1[C@H]1C[C@H]1Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737635870 598245971 /nfs/dbraw/zinc/24/59/71/598245971.db2.gz OFCUHXWUZOXTMD-UKRRQHHQSA-N -1 3 345.328 3.854 20 0 EHADHM CC1CCC(C)(NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000736238250 598263383 /nfs/dbraw/zinc/26/33/83/598263383.db2.gz UMDDBTFFUVKQPE-UHFFFAOYSA-N -1 3 348.838 3.610 20 0 EHADHM CC1CCC(C)(NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000736238250 598263384 /nfs/dbraw/zinc/26/33/84/598263384.db2.gz UMDDBTFFUVKQPE-UHFFFAOYSA-N -1 3 348.838 3.610 20 0 EHADHM CC(C)C[C@H](C)CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000735762267 598495944 /nfs/dbraw/zinc/49/59/44/598495944.db2.gz WHFWMWYSYRRKLK-ZDUSSCGKSA-N -1 3 345.447 3.665 20 0 EHADHM CC(C)C[C@H](C)CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000735762267 598495946 /nfs/dbraw/zinc/49/59/46/598495946.db2.gz WHFWMWYSYRRKLK-ZDUSSCGKSA-N -1 3 345.447 3.665 20 0 EHADHM Clc1ccc(NCCc2c[nH]c3ccccc23)c(-c2nnn[n-]2)c1 ZINC000737573517 598506913 /nfs/dbraw/zinc/50/69/13/598506913.db2.gz IWFCGSYYXNPWPK-UHFFFAOYSA-N -1 3 338.802 3.656 20 0 EHADHM Clc1ccc(NCCc2c[nH]c3ccccc23)c(-c2nn[n-]n2)c1 ZINC000737573517 598506916 /nfs/dbraw/zinc/50/69/16/598506916.db2.gz IWFCGSYYXNPWPK-UHFFFAOYSA-N -1 3 338.802 3.656 20 0 EHADHM Fc1cc(OCc2csc(C3CCCC3)n2)ccc1-c1nnn[n-]1 ZINC000737652937 598549326 /nfs/dbraw/zinc/54/93/26/598549326.db2.gz PODYGJIIWXCAEM-UHFFFAOYSA-N -1 3 345.403 3.699 20 0 EHADHM Fc1cc(OCc2csc(C3CCCC3)n2)ccc1-c1nn[n-]n1 ZINC000737652937 598549327 /nfs/dbraw/zinc/54/93/27/598549327.db2.gz PODYGJIIWXCAEM-UHFFFAOYSA-N -1 3 345.403 3.699 20 0 EHADHM FC(F)(F)c1cc(N[C@H]2CCc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737631009 598572294 /nfs/dbraw/zinc/57/22/94/598572294.db2.gz BAYPHTSFPLKRFU-HNNXBMFYSA-N -1 3 345.328 3.985 20 0 EHADHM FC(F)(F)c1cc(N[C@H]2CCc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737631009 598572296 /nfs/dbraw/zinc/57/22/96/598572296.db2.gz BAYPHTSFPLKRFU-HNNXBMFYSA-N -1 3 345.328 3.985 20 0 EHADHM Fc1cccc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000737661797 598573442 /nfs/dbraw/zinc/57/34/42/598573442.db2.gz QCCTVBHAUORFAZ-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Fc1cccc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000737661797 598573443 /nfs/dbraw/zinc/57/34/43/598573443.db2.gz QCCTVBHAUORFAZ-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Cc1ccc(-c2noc(C=Cc3ccccc3-c3nnn[n-]3)n2)cc1F ZINC000737304053 598608596 /nfs/dbraw/zinc/60/85/96/598608596.db2.gz SCSOBUFYDPZANS-CMDGGOBGSA-N -1 3 348.341 3.535 20 0 EHADHM Cc1ccc(-c2noc(C=Cc3ccccc3-c3nn[n-]n3)n2)cc1F ZINC000737304053 598608597 /nfs/dbraw/zinc/60/85/97/598608597.db2.gz SCSOBUFYDPZANS-CMDGGOBGSA-N -1 3 348.341 3.535 20 0 EHADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1c(F)cccc1F ZINC000736139223 598654726 /nfs/dbraw/zinc/65/47/26/598654726.db2.gz PMEVXPIASJECTQ-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1c(F)cccc1F ZINC000736139223 598654727 /nfs/dbraw/zinc/65/47/27/598654727.db2.gz PMEVXPIASJECTQ-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM c1csc([C@H](Nc2ccc(-c3nn[n-]n3)cc2)c2ccccc2)n1 ZINC000738428969 598758082 /nfs/dbraw/zinc/75/80/82/598758082.db2.gz QONPTLXIKGPRMX-OAHLLOKOSA-N -1 3 334.408 3.525 20 0 EHADHM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737414971 598764652 /nfs/dbraw/zinc/76/46/52/598764652.db2.gz JEEHFNABXCOPIY-SFHVURJKSA-N -1 3 349.438 3.644 20 0 EHADHM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737414971 598764653 /nfs/dbraw/zinc/76/46/53/598764653.db2.gz JEEHFNABXCOPIY-SFHVURJKSA-N -1 3 349.438 3.644 20 0 EHADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(S[C@@H](C)C(C)C)n1 ZINC000737244740 598803521 /nfs/dbraw/zinc/80/35/21/598803521.db2.gz KWABHFSLFXZIBL-QMMMGPOBSA-N -1 3 331.367 3.726 20 0 EHADHM Clc1cc(NCCOC2CCCCCC2)ccc1-c1nnn[n-]1 ZINC000737564962 599305349 /nfs/dbraw/zinc/30/53/49/599305349.db2.gz LMAOZKLWJZHRGX-UHFFFAOYSA-N -1 3 335.839 3.671 20 0 EHADHM Clc1cc(NCCOC2CCCCCC2)ccc1-c1nn[n-]n1 ZINC000737564962 599305352 /nfs/dbraw/zinc/30/53/52/599305352.db2.gz LMAOZKLWJZHRGX-UHFFFAOYSA-N -1 3 335.839 3.671 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1NCc1ccccc1OC1CCC1 ZINC000737644709 599306465 /nfs/dbraw/zinc/30/64/65/599306465.db2.gz KRGRSFPAPAMTAJ-UHFFFAOYSA-N -1 3 339.374 3.549 20 0 EHADHM CC[C@@H](NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(F)cc1F ZINC000820926941 599384604 /nfs/dbraw/zinc/38/46/04/599384604.db2.gz XWIOQSNWHLBHCV-MRXNPFEDSA-N -1 3 347.344 3.525 20 0 EHADHM Cc1ccccc1[C@H](C)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737424000 599399536 /nfs/dbraw/zinc/39/95/36/599399536.db2.gz SZWQRUXKFUTZPI-ZDUSSCGKSA-N -1 3 330.395 3.896 20 0 EHADHM Cc1ccccc1[C@H](C)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737424000 599399539 /nfs/dbraw/zinc/39/95/39/599399539.db2.gz SZWQRUXKFUTZPI-ZDUSSCGKSA-N -1 3 330.395 3.896 20 0 EHADHM COc1cccc([C@H](C)Nc2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000737129379 599415020 /nfs/dbraw/zinc/41/50/20/599415020.db2.gz YXOWNKRLMNLJRQ-LBPRGKRZSA-N -1 3 346.394 3.597 20 0 EHADHM COc1cccc([C@H](C)Nc2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000737129379 599415021 /nfs/dbraw/zinc/41/50/21/599415021.db2.gz YXOWNKRLMNLJRQ-LBPRGKRZSA-N -1 3 346.394 3.597 20 0 EHADHM Cc1ccnc(Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000737438158 599418900 /nfs/dbraw/zinc/41/89/00/599418900.db2.gz ZDGGJSJCPHYAKQ-UHFFFAOYSA-N -1 3 345.366 3.501 20 0 EHADHM CS[C@H]1CCC[C@H](Nc2cc(-c3nnn[n-]3)c3ccccc3n2)C1 ZINC000737182283 599441475 /nfs/dbraw/zinc/44/14/75/599441475.db2.gz YRTCHQJFKKMERT-RYUDHWBXSA-N -1 3 340.456 3.501 20 0 EHADHM CS[C@H]1CCC[C@H](Nc2cc(-c3nn[n-]n3)c3ccccc3n2)C1 ZINC000737182283 599441477 /nfs/dbraw/zinc/44/14/77/599441477.db2.gz YRTCHQJFKKMERT-RYUDHWBXSA-N -1 3 340.456 3.501 20 0 EHADHM Fc1ccc(NCCOc2ccc3ccccc3c2)c(-c2nnn[n-]2)c1 ZINC000822778505 599468378 /nfs/dbraw/zinc/46/83/78/599468378.db2.gz JRDKTUCCZKCGBE-UHFFFAOYSA-N -1 3 349.369 3.650 20 0 EHADHM Fc1ccc(NCCOc2ccc3ccccc3c2)c(-c2nn[n-]n2)c1 ZINC000822778505 599468379 /nfs/dbraw/zinc/46/83/79/599468379.db2.gz JRDKTUCCZKCGBE-UHFFFAOYSA-N -1 3 349.369 3.650 20 0 EHADHM CC(C)Oc1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)cc1 ZINC000820155671 599468866 /nfs/dbraw/zinc/46/88/66/599468866.db2.gz UNNHPSTWINQSQG-UHFFFAOYSA-N -1 3 343.818 3.919 20 0 EHADHM CC(C)Oc1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)cc1 ZINC000820155671 599468867 /nfs/dbraw/zinc/46/88/67/599468867.db2.gz UNNHPSTWINQSQG-UHFFFAOYSA-N -1 3 343.818 3.919 20 0 EHADHM CC[C@H](Sc1nc(C)nc(C)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000736393288 599520366 /nfs/dbraw/zinc/52/03/66/599520366.db2.gz VWJIKUFQCKXXQL-ZDUSSCGKSA-N -1 3 344.419 3.656 20 0 EHADHM Cc1ccccc1[C@H](C)CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822344807 599540817 /nfs/dbraw/zinc/54/08/17/599540817.db2.gz AJYDURRYLRHDOX-CABCVRRESA-N -1 3 349.438 3.546 20 0 EHADHM Cc1ccccc1[C@H](C)CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822344807 599540819 /nfs/dbraw/zinc/54/08/19/599540819.db2.gz AJYDURRYLRHDOX-CABCVRRESA-N -1 3 349.438 3.546 20 0 EHADHM CCc1ccc([C@H](C)CC(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736685572 599545292 /nfs/dbraw/zinc/54/52/92/599545292.db2.gz GXFOLVFZQXWTDW-CQSZACIVSA-N -1 3 349.438 3.586 20 0 EHADHM CCc1ccc([C@H](C)CC(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736685572 599545294 /nfs/dbraw/zinc/54/52/94/599545294.db2.gz GXFOLVFZQXWTDW-CQSZACIVSA-N -1 3 349.438 3.586 20 0 EHADHM CCC(C)(C)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000820847326 599689682 /nfs/dbraw/zinc/68/96/82/599689682.db2.gz AEJPIOALBKHRAD-UHFFFAOYSA-N -1 3 333.461 3.572 20 0 EHADHM CCC(C)(C)CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000820847326 599689683 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O=C([O-])c1cc(F)ccc1CN1CCC[C@H](Nc2ccccc2)C1 ZINC000833298864 604800684 /nfs/dbraw/zinc/80/06/84/604800684.db2.gz FTJAGHNZYVPCLU-KRWDZBQOSA-N -1 3 328.387 3.600 20 0 EHADHM C[C@@]1(NCc2csc(Cc3ccccc3)n2)CCCC[C@H]1C(=O)[O-] ZINC000833567965 604815298 /nfs/dbraw/zinc/81/52/98/604815298.db2.gz BRXKPYXQOLPOPM-QFBILLFUSA-N -1 3 344.480 3.857 20 0 EHADHM C[C@@]1(NCc2ncc(-c3ccc(F)cc3)o2)CCCC[C@@H]1C(=O)[O-] ZINC000833569519 604820859 /nfs/dbraw/zinc/82/08/59/604820859.db2.gz LZJMLSCECFAMDI-RDTXWAMCSA-N -1 3 332.375 3.604 20 0 EHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2ncc(-c3ccccc3)o2)C1 ZINC000392009360 604944376 /nfs/dbraw/zinc/94/43/76/604944376.db2.gz SIWMFNZINOGCAF-HNNXBMFYSA-N -1 3 328.412 3.664 20 0 EHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2csc(-c3ccoc3)n2)C1 ZINC000652499930 604944515 /nfs/dbraw/zinc/94/45/15/604944515.db2.gz SLUFFGWEOJLZGM-CYBMUJFWSA-N -1 3 334.441 3.726 20 0 EHADHM O=C([O-])[C@H](NCc1ccc(COc2ccccc2)cc1)c1cccnc1 ZINC000833165165 604993649 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C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(Cl)cc1 ZINC000820555792 606326928 /nfs/dbraw/zinc/32/69/28/606326928.db2.gz PQITZFIUAGZMIV-SNVBAGLBSA-N -1 3 344.827 3.884 20 0 EHADHM C(=Cc1ccc(-c2nnn[n-]2)cn1)c1cnc(-c2cccs2)s1 ZINC000819710090 606338934 /nfs/dbraw/zinc/33/89/34/606338934.db2.gz WCGTYMATTDHLCA-WAYWQWQTSA-N -1 3 338.421 3.617 20 0 EHADHM C(=Cc1ccc(-c2nn[n-]n2)cn1)c1cnc(-c2cccs2)s1 ZINC000819710090 606338936 /nfs/dbraw/zinc/33/89/36/606338936.db2.gz WCGTYMATTDHLCA-WAYWQWQTSA-N -1 3 338.421 3.617 20 0 EHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Oc2ccccc2)o1 ZINC000360958936 606360749 /nfs/dbraw/zinc/36/07/49/606360749.db2.gz UGBXSDRJAQVEGQ-UHFFFAOYSA-N -1 3 347.334 3.504 20 0 EHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Oc2ccccc2)o1 ZINC000360958936 606360751 /nfs/dbraw/zinc/36/07/51/606360751.db2.gz UGBXSDRJAQVEGQ-UHFFFAOYSA-N -1 3 347.334 3.504 20 0 EHADHM CC(=O)c1ccc2cc(OCc3cccc(-c4nnn[n-]4)c3)ccc2c1 ZINC000819833671 606399243 /nfs/dbraw/zinc/39/92/43/606399243.db2.gz JYTJPTOPOPPOMR-UHFFFAOYSA-N -1 3 344.374 3.802 20 0 EHADHM CC(=O)c1ccc2cc(OCc3cccc(-c4nn[n-]n4)c3)ccc2c1 ZINC000819833671 606399245 /nfs/dbraw/zinc/39/92/45/606399245.db2.gz JYTJPTOPOPPOMR-UHFFFAOYSA-N -1 3 344.374 3.802 20 0 EHADHM CC[C@@H](C)Oc1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000820875989 606412964 /nfs/dbraw/zinc/41/29/64/606412964.db2.gz JSXXLFIQVVPUTQ-LLVKDONJSA-N -1 3 329.429 3.718 20 0 EHADHM CC(C)(C)C(=O)c1ccc(NCc2ccccc2-c2nnn[n-]2)cc1 ZINC000819898464 606464056 /nfs/dbraw/zinc/46/40/56/606464056.db2.gz GWNJRBBLCYWJIN-UHFFFAOYSA-N -1 3 335.411 3.708 20 0 EHADHM CC(C)(C)C(=O)c1ccc(NCc2ccccc2-c2nn[n-]n2)cc1 ZINC000819898464 606464058 /nfs/dbraw/zinc/46/40/58/606464058.db2.gz GWNJRBBLCYWJIN-UHFFFAOYSA-N -1 3 335.411 3.708 20 0 EHADHM CC[C@H](C)c1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000820882313 606685711 /nfs/dbraw/zinc/68/57/11/606685711.db2.gz PEZYIQATQXNVEZ-NSHDSACASA-N -1 3 339.374 3.772 20 0 EHADHM CC[C@H](C)c1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000820882313 606685712 /nfs/dbraw/zinc/68/57/12/606685712.db2.gz PEZYIQATQXNVEZ-NSHDSACASA-N -1 3 339.374 3.772 20 0 EHADHM CCC1(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)CCCC1 ZINC000820944071 606840399 /nfs/dbraw/zinc/84/03/99/606840399.db2.gz HONJYHRPPAXCBT-UHFFFAOYSA-N -1 3 345.472 3.716 20 0 EHADHM CCC1(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)CCCC1 ZINC000820944071 606840401 /nfs/dbraw/zinc/84/04/01/606840401.db2.gz HONJYHRPPAXCBT-UHFFFAOYSA-N -1 3 345.472 3.716 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C(C)(C)C)s1 ZINC000822220246 606872379 /nfs/dbraw/zinc/87/23/79/606872379.db2.gz JJGDTPTZFAWQIJ-UHFFFAOYSA-N -1 3 341.440 3.786 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C(C)(C)C)s1 ZINC000822220246 606872381 /nfs/dbraw/zinc/87/23/81/606872381.db2.gz JJGDTPTZFAWQIJ-UHFFFAOYSA-N -1 3 341.440 3.786 20 0 EHADHM Fc1cccc(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c1 ZINC000822786075 606921612 /nfs/dbraw/zinc/92/16/12/606921612.db2.gz CILKEZFVLPIVPS-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Fc1cccc(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c1 ZINC000822786075 606921613 /nfs/dbraw/zinc/92/16/13/606921613.db2.gz CILKEZFVLPIVPS-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM CN(C(=O)CC1CCCCCC1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569737 606964911 /nfs/dbraw/zinc/96/49/11/606964911.db2.gz UEBDDDSJJFXWMT-UHFFFAOYSA-N -1 3 347.850 3.843 20 0 EHADHM CN(C(=O)CC1CCCCCC1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569737 606964912 /nfs/dbraw/zinc/96/49/12/606964912.db2.gz UEBDDDSJJFXWMT-UHFFFAOYSA-N -1 3 347.850 3.843 20 0 EHADHM c1ccc2c(c1)OC1(CCCC1)C[C@@H]2Nc1ncccc1-c1nnn[n-]1 ZINC000823802465 607034862 /nfs/dbraw/zinc/03/48/62/607034862.db2.gz PLTRHYRQLIKPCY-HNNXBMFYSA-N -1 3 348.410 3.510 20 0 EHADHM c1ccc2c(c1)OC1(CCCC1)C[C@@H]2Nc1ncccc1-c1nn[n-]n1 ZINC000823802465 607034863 /nfs/dbraw/zinc/03/48/63/607034863.db2.gz PLTRHYRQLIKPCY-HNNXBMFYSA-N -1 3 348.410 3.510 20 0 EHADHM CCOc1cc(Cl)ccc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000821394419 607052686 /nfs/dbraw/zinc/05/26/86/607052686.db2.gz 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/nfs/dbraw/zinc/82/30/12/607823012.db2.gz WMGLHLSSJSWBMX-UHFFFAOYSA-N -1 3 349.438 3.872 20 0 EHADHM Cc1c(NC(=O)CCC(C)(C)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000826241244 607823013 /nfs/dbraw/zinc/82/30/13/607823013.db2.gz WMGLHLSSJSWBMX-UHFFFAOYSA-N -1 3 349.438 3.872 20 0 EHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cccc(C)c2Cl)s1 ZINC000825693984 607861198 /nfs/dbraw/zinc/86/11/98/607861198.db2.gz JRLCQLNYSZUQBT-UHFFFAOYSA-N -1 3 347.831 3.705 20 0 EHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cccc(C)c2Cl)s1 ZINC000825693984 607861197 /nfs/dbraw/zinc/86/11/97/607861197.db2.gz JRLCQLNYSZUQBT-UHFFFAOYSA-N -1 3 347.831 3.705 20 0 EHADHM Fc1ccc(CSCc2csc(C3CC3)n2)c(-c2nnn[n-]2)c1 ZINC000826374795 607983847 /nfs/dbraw/zinc/98/38/47/607983847.db2.gz MQSBKNQNQRQNCM-UHFFFAOYSA-N -1 3 347.444 3.773 20 0 EHADHM Fc1ccc(CSCc2csc(C3CC3)n2)c(-c2nn[n-]n2)c1 ZINC000826374795 607983848 /nfs/dbraw/zinc/98/38/48/607983848.db2.gz MQSBKNQNQRQNCM-UHFFFAOYSA-N -1 3 347.444 3.773 20 0 EHADHM CCCC(=CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)CCC ZINC000825219418 608160150 /nfs/dbraw/zinc/16/01/50/608160150.db2.gz JFXKSLPBXWFUSK-ZDUSSCGKSA-N -1 3 327.432 3.571 20 0 EHADHM CCCC(=CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)CCC ZINC000825219418 608160151 /nfs/dbraw/zinc/16/01/51/608160151.db2.gz JFXKSLPBXWFUSK-ZDUSSCGKSA-N -1 3 327.432 3.571 20 0 EHADHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1Cl ZINC000736139700 608416070 /nfs/dbraw/zinc/41/60/70/608416070.db2.gz XEAKDOSAOBRVQV-QMMMGPOBSA-N -1 3 335.198 3.742 20 0 EHADHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1Cl ZINC000736139700 608416072 /nfs/dbraw/zinc/41/60/72/608416072.db2.gz XEAKDOSAOBRVQV-QMMMGPOBSA-N -1 3 335.198 3.742 20 0 EHADHM CCCCc1nc(CN[C@H](C)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825296764 608486056 /nfs/dbraw/zinc/48/60/56/608486056.db2.gz VJIPLPMVAFPIPJ-GFCCVEGCSA-N -1 3 342.472 3.517 20 0 EHADHM CC(C)[C@H](c1ccccc1Cl)N(C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000824215835 608703836 /nfs/dbraw/zinc/70/38/36/608703836.db2.gz 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CC[C@H](C)n1nc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825082170 947070752 /nfs/dbraw/zinc/07/07/52/947070752.db2.gz QXYNBIMIQDZNSN-WCQYABFASA-N -1 3 325.420 3.516 20 0 EHADHM CC[C@H](C)n1nc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825082170 947070762 /nfs/dbraw/zinc/07/07/62/947070762.db2.gz QXYNBIMIQDZNSN-WCQYABFASA-N -1 3 325.420 3.516 20 0 EHADHM CCc1cnccc1[C@H](C)[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000825736225 947307793 /nfs/dbraw/zinc/30/77/93/947307793.db2.gz XXRTWJRVWYRQEA-VXGBXAGGSA-N -1 3 325.391 3.870 20 0 EHADHM CCc1cnccc1[C@H](C)[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000825736225 947307809 /nfs/dbraw/zinc/30/78/09/947307809.db2.gz XXRTWJRVWYRQEA-VXGBXAGGSA-N -1 3 325.391 3.870 20 0 EHADHM Cc1c(NC(=O)[C@H](C)CCCc2ccccc2)cccc1-c1nnn[n-]1 ZINC000826240683 947714607 /nfs/dbraw/zinc/71/46/07/947714607.db2.gz DJXGGMJCHUMNDS-CQSZACIVSA-N -1 3 349.438 3.773 20 0 EHADHM Cc1c(NC(=O)[C@H](C)CCCc2ccccc2)cccc1-c1nn[n-]n1 ZINC000826240683 947714612 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FC(F)(F)c1cc(SCc2cccnc2)ccc1-c1nn[n-]n1 ZINC000826368580 948148024 /nfs/dbraw/zinc/14/80/24/948148024.db2.gz VHALDNFFYYVLMG-UHFFFAOYSA-N -1 3 337.330 3.573 20 0 EHADHM CCOc1cc(CNCc2csc(CC)n2)cc(Cl)c1[O-] ZINC000459395457 1032059782 /nfs/dbraw/zinc/05/97/82/1032059782.db2.gz CEMILMXVEUBYCP-UHFFFAOYSA-N -1 3 326.849 3.753 20 0 EHADHM CC(C)C1CCC(CNc2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001574094656 949141556 /nfs/dbraw/zinc/14/15/56/949141556.db2.gz ZLIXXISPEAXOBO-UHFFFAOYSA-N -1 3 334.855 3.789 20 0 EHADHM CC(C)C1CCC(CNc2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001574094656 949141565 /nfs/dbraw/zinc/14/15/65/949141565.db2.gz ZLIXXISPEAXOBO-UHFFFAOYSA-N -1 3 334.855 3.789 20 0 EHADHM C[C@H]1CCC[C@@H]1Nc1cc(C(F)(F)F)c(F)cc1-c1nnn[n-]1 ZINC001576160031 949524209 /nfs/dbraw/zinc/52/42/09/949524209.db2.gz YUKJEAAUOXYXEF-CPCISQLKSA-N -1 3 329.301 3.625 20 0 EHADHM C[C@H]1CCC[C@@H]1Nc1cc(C(F)(F)F)c(F)cc1-c1nn[n-]n1 ZINC001576160031 949524226 /nfs/dbraw/zinc/52/42/26/949524226.db2.gz YUKJEAAUOXYXEF-CPCISQLKSA-N 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Cc1cc([C@@H]2CCCN2CCCC(=O)[O-])ccc1Br ZINC000262601316 961786125 /nfs/dbraw/zinc/78/61/25/961786125.db2.gz CNXRHWMAIVFVOL-AWEZNQCLSA-N -1 3 326.234 3.759 20 0 EHADHM CC(C)c1nc(CN[C@H](C)[C@H](Cc2ccccc2)C(=O)[O-])cs1 ZINC001339153454 962016471 /nfs/dbraw/zinc/01/64/71/962016471.db2.gz ZAUGJKAYLOXDFT-CJNGLKHVSA-N -1 3 332.469 3.688 20 0 EHADHM C[C@H]1CCc2nc(CN3CCC[C@@H](C(C)(C)C(=O)[O-])C3)sc2C1 ZINC001350600168 962544004 /nfs/dbraw/zinc/54/40/04/962544004.db2.gz NRKFTHSEWOPUBZ-QWHCGFSZSA-N -1 3 336.501 3.591 20 0 EHADHM C[C@]1(CN2CCOc3c(cccc3C(=O)[O-])C2)C[C@@H]1c1ccccc1 ZINC001551398957 963021135 /nfs/dbraw/zinc/02/11/35/963021135.db2.gz BTVPVEXVIVRNIM-WIYYLYMNSA-N -1 3 337.419 3.773 20 0 EHADHM O=C([O-])c1ccc(CNCc2cccc(OCC(F)(F)F)c2)s1 ZINC000903677356 969583642 /nfs/dbraw/zinc/58/36/42/969583642.db2.gz OXARLSDKYQLQGV-UHFFFAOYSA-N -1 3 345.342 3.677 20 0 EHADHM CC[C@@]1(C)CCN(Cc2ccc(C(=O)[O-])cc2Br)C1 ZINC000399294095 973211152 /nfs/dbraw/zinc/21/11/52/973211152.db2.gz JBWAFIXEFJGGKY-HNNXBMFYSA-N -1 3 326.234 3.769 20 0 EHADHM Cc1sc(C2(NCCC(=O)[O-])CCC2)nc1-c1ccccc1F ZINC001605461402 973560165 /nfs/dbraw/zinc/56/01/65/973560165.db2.gz YCWSEVBZICDEDV-UHFFFAOYSA-N -1 3 334.416 3.701 20 0 EHADHM O=C([O-])c1ccc(CNCc2cccc(OC(F)(F)F)c2)s1 ZINC001606491224 973975584 /nfs/dbraw/zinc/97/55/84/973975584.db2.gz UXMYKSICLFRPHH-UHFFFAOYSA-N -1 3 331.315 3.635 20 0 EHADHM COc1ccc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1Cl ZINC000426752818 974046036 /nfs/dbraw/zinc/04/60/36/974046036.db2.gz FLHAUUYPJRJOCM-KRWDZBQOSA-N -1 3 333.815 3.881 20 0 EHADHM COc1cccc(-c2csc(CN3C[C@@H](C(=O)[O-])CC[C@H]3C)n2)c1 ZINC001604854486 974093564 /nfs/dbraw/zinc/09/35/64/974093564.db2.gz BMIRHILKDOKPSB-OCCSQVGLSA-N -1 3 346.452 3.504 20 0 EHADHM Cc1oc(CN(C)CCCOc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000514730768 974291907 /nfs/dbraw/zinc/29/19/07/974291907.db2.gz UMTIQWIINZDUOM-UHFFFAOYSA-N -1 3 337.803 3.841 20 0 EHADHM Cc1oc(CN2CCC(Cc3cccc(F)c3)CC2)cc1C(=O)[O-] ZINC000515174907 974296703 /nfs/dbraw/zinc/29/67/03/974296703.db2.gz VMENFTABIFXWMA-UHFFFAOYSA-N -1 3 331.387 3.880 20 0 EHADHM Cc1cc(CN(C)CCCOc2ccc(Cl)cc2)oc1C(=O)[O-] ZINC000516076150 974303624 /nfs/dbraw/zinc/30/36/24/974303624.db2.gz MKERBUBKPWSLKL-UHFFFAOYSA-N -1 3 337.803 3.841 20 0 EHADHM COC[C@H](Cc1ccccc1)N(C)Cc1cccc(C(=O)[O-])c1Cl ZINC000516656743 974308470 /nfs/dbraw/zinc/30/84/70/974308470.db2.gz NPWXDOKPUMFUDA-INIZCTEOSA-N -1 3 347.842 3.728 20 0 EHADHM Cc1ccc(-c2cnc(CN3[C@@H](C)CC(C(=O)[O-])C[C@@H]3C)o2)cc1 ZINC000530174214 974362377 /nfs/dbraw/zinc/36/23/77/974362377.db2.gz IVTGVANBHBADCF-KBPBESRZSA-N -1 3 328.412 3.724 20 0 EHADHM CSc1ccc(OCCN2CCc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000571409685 974728902 /nfs/dbraw/zinc/72/89/02/974728902.db2.gz KXAXFDUGJVXYQJ-UHFFFAOYSA-N -1 3 343.448 3.544 20 0 EHADHM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1csc(-c2cccs2)n1 ZINC000574922326 974791922 /nfs/dbraw/zinc/79/19/22/974791922.db2.gz NVGCMKSSYZOHOK-SUHUHFCYSA-N -1 3 334.466 3.557 20 0 EHADHM CC[C@@H]1c2ccsc2CCN1CCOc1cccc(C(=O)[O-])c1 ZINC000581612724 974913232 /nfs/dbraw/zinc/91/32/32/974913232.db2.gz BJUDKQGQHYQDNV-MRXNPFEDSA-N -1 3 331.437 3.835 20 0 EHADHM Cc1oc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)cc1C(=O)[O-] ZINC000652386639 975518921 /nfs/dbraw/zinc/51/89/21/975518921.db2.gz AIEAARXXNIIVIN-CYBMUJFWSA-N -1 3 340.379 3.807 20 0 EHADHM CC(C)O[C@H]1CCCN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC001591696725 975537870 /nfs/dbraw/zinc/53/78/70/975537870.db2.gz WTGXSYCDDXVNBC-SWLSCSKDSA-N -1 3 345.361 3.721 20 0 EHADHM Cc1ccc(OC(F)F)c(CN2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000652496459 975558959 /nfs/dbraw/zinc/55/89/59/975558959.db2.gz WGXMTQCZZSFSHE-CYBMUJFWSA-N -1 3 327.371 3.673 20 0 EHADHM COc1ccc(C(C)C)cc1CN1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000656191331 975645540 /nfs/dbraw/zinc/64/55/40/975645540.db2.gz RVINKBPGRRVLRC-INIZCTEOSA-N -1 3 345.361 3.658 20 0 EHADHM O=C([O-])c1ccc(CN2CCC[C@H](CCF)C2)c(Br)c1 ZINC000656764192 975694202 /nfs/dbraw/zinc/69/42/02/975694202.db2.gz VKRXRPFQGNSYNW-LLVKDONJSA-N -1 3 344.224 3.719 20 0 EHADHM O=C([O-])[C@@H]1CN(CCc2c(F)cccc2Cl)Cc2ccccc21 ZINC000662222418 975904231 /nfs/dbraw/zinc/90/42/31/975904231.db2.gz JPTUGGGFZWJMRK-OAHLLOKOSA-N -1 3 333.790 3.706 20 0 EHADHM Cc1cc(C(=O)[N-]c2ncn(C3CCCCC3)n2)c(C(F)(F)F)o1 ZINC000274616086 1014342617 /nfs/dbraw/zinc/34/26/17/1014342617.db2.gz LFWMWFAZUPGVEO-UHFFFAOYSA-N -1 3 342.321 3.956 20 0 EHADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)N=c2cc3ccccn3[n-]2)C1 ZINC000579749988 1014368865 /nfs/dbraw/zinc/36/88/65/1014368865.db2.gz QUBXNHMCRXLHOP-DYVFJYSZSA-N -1 3 338.386 3.510 20 0 EHADHM COc1ccc(C(=O)N[C@@H](C)c2ccccc2OC(C)C)c([O-])c1 ZINC001625781706 1014460646 /nfs/dbraw/zinc/46/06/46/1014460646.db2.gz OPMDQLBCXVDPGR-ZDUSSCGKSA-N -1 3 329.396 3.679 20 0 EHADHM CC[C@H](C)C(=O)Nc1cccc(CNCc2c(F)ccc([O-])c2F)c1 ZINC000510062921 1014569175 /nfs/dbraw/zinc/56/91/75/1014569175.db2.gz AMDYFUSFKDJGMC-LBPRGKRZSA-N -1 3 348.393 3.945 20 0 EHADHM C/C(=C\CN1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)C(=O)[O-] ZINC000846257447 979429195 /nfs/dbraw/zinc/42/91/95/979429195.db2.gz QOARXCOXSAKRON-VKUYVZBCSA-N -1 3 344.238 3.868 20 0 EHADHM CCC(CC)CN(CC)CC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001595111812 979460588 /nfs/dbraw/zinc/46/05/88/979460588.db2.gz XUQQIEVJYAMXQN-UHFFFAOYSA-N -1 3 340.489 3.760 20 0 EHADHM CC[C@@](NCc1cccc(OC)c1Cl)(C(=O)[O-])c1ccccc1 ZINC001595304843 980440323 /nfs/dbraw/zinc/44/03/23/980440323.db2.gz JCBRPQHFFILKAF-SFHVURJKSA-N -1 3 333.815 3.828 20 0 EHADHM CC[C@](NCc1cnn(-c2ccccc2C)c1)(C(=O)[O-])c1ccccc1 ZINC001595305335 980445353 /nfs/dbraw/zinc/44/53/53/980445353.db2.gz OGPLCEDAPBOQIB-OAQYLSRUSA-N -1 3 349.434 3.660 20 0 EHADHM O=C([O-])[C@@H]1CN(Cc2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1C1CC1 ZINC000901902322 980616266 /nfs/dbraw/zinc/61/62/66/980616266.db2.gz XYOISHQSZFWPQZ-NWDGAFQWSA-N -1 3 347.764 3.901 20 0 EHADHM C[C@H](N[C@H]1CC[C@@H](Cc2ccccc2)C1)c1ncc(C(=O)[O-])s1 ZINC000901910850 980622700 /nfs/dbraw/zinc/62/27/00/980622700.db2.gz JFHFMNQYNZSKOU-QEJZJMRPSA-N -1 3 330.453 3.903 20 0 EHADHM Cc1cccnc1[C@@H]1CCC[C@@H](N[C@@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC000901911391 980623669 /nfs/dbraw/zinc/62/36/69/980623669.db2.gz KJKOMFNQYUSCNF-BFHYXJOUSA-N -1 3 345.468 3.922 20 0 EHADHM O=C([O-])c1ccc(CNCCc2nc(C3CCCCC3)cs2)o1 ZINC000902252596 980799845 /nfs/dbraw/zinc/79/98/45/980799845.db2.gz KYCYEZFEJYFFLW-UHFFFAOYSA-N -1 3 334.441 3.814 20 0 EHADHM Cc1ccc(-c2nc(CN[C@@H]3CC[C@H](CC(=O)[O-])[C@@H]3C)co2)cc1 ZINC000902262331 980806458 /nfs/dbraw/zinc/80/64/58/980806458.db2.gz VIUSMTCMQWYINB-YSVLISHTSA-N -1 3 328.412 3.629 20 0 EHADHM C[C@@H]1CCN(Cc2ccc(C(=O)[O-])c(Br)c2)C[C@@H]1C ZINC000902282732 980816560 /nfs/dbraw/zinc/81/65/60/980816560.db2.gz UFMSOIZUCSLTKM-MNOVXSKESA-N -1 3 326.234 3.625 20 0 EHADHM CCc1oc(CN2CCC3(CC2)OCc2ccccc23)cc1C(=O)[O-] ZINC000902343569 980841764 /nfs/dbraw/zinc/84/17/64/980841764.db2.gz SPRFTNFGPBWVOV-UHFFFAOYSA-N -1 3 341.407 3.562 20 0 EHADHM COc1ccccc1[C@@H](CNCc1csc(C(=O)[O-])c1)OC(C)C ZINC000902369392 980857682 /nfs/dbraw/zinc/85/76/82/980857682.db2.gz VTXZAPXKBABIJJ-MRXNPFEDSA-N -1 3 349.452 3.711 20 0 EHADHM Cc1nn(CCC(=O)[O-])c(C)c1CNCc1ccc(C(C)(C)C)s1 ZINC000902418475 980878323 /nfs/dbraw/zinc/87/83/23/980878323.db2.gz GOPOBPOMMMAPNK-UHFFFAOYSA-N -1 3 349.500 3.623 20 0 EHADHM O=C([O-])C[C@@H]1CSCCN1Cc1cc(Cl)cc2ccccc21 ZINC000903602173 980983900 /nfs/dbraw/zinc/98/39/00/980983900.db2.gz OXOCYXAFHPBBBZ-OAHLLOKOSA-N -1 3 335.856 3.885 20 0 EHADHM CCC1CCC(NCc2nc(Cl)ccc2Cl)(C(=O)[O-])CC1 ZINC001595431005 981050320 /nfs/dbraw/zinc/05/03/20/981050320.db2.gz GMTAVOFNADZYAZ-UHFFFAOYSA-N -1 3 331.243 3.902 20 0 EHADHM Cc1ccc([C@H](NCc2cccnc2C(F)(F)F)C(=O)[O-])cc1C ZINC000905382604 981103792 /nfs/dbraw/zinc/10/37/92/981103792.db2.gz ZXRBTDBUHAPYSD-AWEZNQCLSA-N -1 3 338.329 3.633 20 0 EHADHM CC[C@H]1CCN(Cc2cc(C(=O)[O-])ccc2Br)[C@@H]1C ZINC001595464384 981149657 /nfs/dbraw/zinc/14/96/57/981149657.db2.gz LYMJUCZNXSHLPF-MNOVXSKESA-N -1 3 326.234 3.768 20 0 EHADHM CC[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)C[C@@H](CC)O1 ZINC001595483819 981215100 /nfs/dbraw/zinc/21/51/00/981215100.db2.gz LXHKUASXKPBIJN-RBSFLKMASA-N -1 3 345.361 3.721 20 0 EHADHM CC[C@@](C)(NCc1coc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)[O-] ZINC001594852363 982093829 /nfs/dbraw/zinc/09/38/29/982093829.db2.gz JBTZBWYJQBXONE-OAHLLOKOSA-N -1 3 342.317 3.703 20 0 EHADHM COc1c(Cl)cc(NC([O-])=NO[C@H]2CCCCO2)cc1Cl ZINC000274750284 1014814569 /nfs/dbraw/zinc/81/45/69/1014814569.db2.gz AMUXRTUZVRBOFQ-NSHDSACASA-N -1 3 335.187 3.582 20 0 EHADHM COc1c(Cl)cc(NC(=O)[N-]O[C@H]2CCCCO2)cc1Cl ZINC000274750284 1014814586 /nfs/dbraw/zinc/81/45/86/1014814586.db2.gz AMUXRTUZVRBOFQ-NSHDSACASA-N -1 3 335.187 3.582 20 0 EHADHM CCCCC[C@@H]1CCCN1CC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001595690749 982200521 /nfs/dbraw/zinc/20/05/21/982200521.db2.gz VGZCVGMJFWGSNB-MRXNPFEDSA-N -1 3 332.444 3.676 20 0 EHADHM CCCN(Cc1ccccc1)Cc1ccccc1O[C@H](C)C(=O)[O-] ZINC001595899811 982949149 /nfs/dbraw/zinc/94/91/49/982949149.db2.gz NBIKTGQPDKIUGL-MRXNPFEDSA-N -1 3 327.424 3.951 20 0 EHADHM Cc1nn(C)c2cc(NC(=O)c3cc([O-])c4ccccc4c3)ccc12 ZINC000462645313 1014916154 /nfs/dbraw/zinc/91/61/54/1014916154.db2.gz UYRKMSOMPHJNEK-UHFFFAOYSA-N -1 3 331.375 3.993 20 0 EHADHM CCN(Cc1c[nH]c(C(=O)[O-])c1)Cc1ccc(C(F)(F)F)cc1 ZINC001596357612 983829891 /nfs/dbraw/zinc/82/98/91/983829891.db2.gz KUHOSIUVMFARTF-UHFFFAOYSA-N -1 3 326.318 3.754 20 0 EHADHM CCN(Cc1ccc(O[C@H](C)C(=O)[O-])cc1)[C@H](C)c1cccnc1 ZINC001596365008 983857582 /nfs/dbraw/zinc/85/75/82/983857582.db2.gz WCMBFXJINLJHIU-HUUCEWRRSA-N -1 3 328.412 3.517 20 0 EHADHM CCO[C@@H]1C[C@@](NCc2cc(Cl)ccc2Cl)(C(=O)[O-])C1(C)C ZINC001596838937 985513322 /nfs/dbraw/zinc/51/33/22/985513322.db2.gz QIPFULSXKQCXOG-CZUORRHYSA-N -1 3 346.254 3.741 20 0 EHADHM CCS[C@@H]1CCC[C@@H]1N[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001597258376 987267715 /nfs/dbraw/zinc/26/77/15/987267715.db2.gz KOYVVFMFIRPWKA-OUCADQQQSA-N -1 3 331.840 3.869 20 0 EHADHM CC1CCN(c2ccc(NC([O-])=NO[C@@H]3CCCCO3)cc2)CC1 ZINC000154288376 1015344534 /nfs/dbraw/zinc/34/45/34/1015344534.db2.gz PORMGGJENXPYGQ-QGZVFWFLSA-N -1 3 333.432 3.503 20 0 EHADHM CC1CCN(c2ccc(NC(=O)[N-]O[C@@H]3CCCCO3)cc2)CC1 ZINC000154288376 1015344539 /nfs/dbraw/zinc/34/45/39/1015344539.db2.gz PORMGGJENXPYGQ-QGZVFWFLSA-N -1 3 333.432 3.503 20 0 EHADHM CCc1ccc2c(c1)[C@@H](NCc1ccc(C(=O)[O-])c(C)c1)CCO2 ZINC001597568278 988322431 /nfs/dbraw/zinc/32/24/31/988322431.db2.gz DNWLUKSVXOWSGP-SFHVURJKSA-N -1 3 325.408 3.869 20 0 EHADHM C[C@@H](NCc1cc(C(=O)[O-])cs1)c1ccc(-n2cccn2)c(F)c1 ZINC001599841565 988845998 /nfs/dbraw/zinc/84/59/98/988845998.db2.gz RVXZFBDOTQYNCR-LLVKDONJSA-N -1 3 345.399 3.622 20 0 EHADHM COc1cccc([C@@H](C)CCCC(=O)[N-]OCCC(F)(F)F)c1 ZINC000278717225 1032117001 /nfs/dbraw/zinc/11/70/01/1032117001.db2.gz LEGPUTDOAUBTPN-LBPRGKRZSA-N -1 3 333.350 3.969 20 0 EHADHM Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000562532645 1015633804 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O=S(=O)([N-][C@H]1CSc2ccccc21)c1cc(F)ccc1Cl ZINC000522758324 1025201680 /nfs/dbraw/zinc/20/16/80/1025201680.db2.gz RVEIMCDYTBGTFI-LBPRGKRZSA-N -1 3 343.832 3.604 20 0 EHADHM Cc1ccsc1-c1nnc(SCc2cc(=O)[n-]c(C3CC3)n2)o1 ZINC000521209413 1025266260 /nfs/dbraw/zinc/26/62/60/1025266260.db2.gz AFKXJLYPNLGVAU-UHFFFAOYSA-N -1 3 346.437 3.772 20 0 EHADHM CO[C@@H](C)c1nc(C)c(C(=O)Nc2c([O-])cccc2Cl)s1 ZINC000521416229 1025378796 /nfs/dbraw/zinc/37/87/96/1025378796.db2.gz KLLGDLQFVWQVAK-QMMMGPOBSA-N -1 3 326.805 3.770 20 0 EHADHM Cc1cccc(C(=O)N2CCCc3cc(OC(F)F)ccc32)c1[O-] ZINC000098106204 1025422367 /nfs/dbraw/zinc/42/23/67/1025422367.db2.gz WVJDGFOPDLGKLY-UHFFFAOYSA-N -1 3 333.334 3.895 20 0 EHADHM O=S(=O)([N-]CCC1=CCCCCC1)c1cnccc1C(F)(F)F ZINC000442746010 1025461327 /nfs/dbraw/zinc/46/13/27/1025461327.db2.gz XYKRPAICHOUGDG-UHFFFAOYSA-N -1 3 348.390 3.659 20 0 EHADHM Cc1ccc(-c2nc(CN3CC[C@](C(=O)[O-])(C(C)C)C3)cs2)o1 ZINC000515660296 1025463016 /nfs/dbraw/zinc/46/30/16/1025463016.db2.gz 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Cc1cccc([O-])c1C(=O)N1CCc2c(cccc2C(F)(F)F)C1 ZINC001188647324 1134486529 /nfs/dbraw/zinc/48/65/29/1134486529.db2.gz PTHVUIUGGAOKMJ-UHFFFAOYSA-N -1 3 335.325 3.918 20 0 EHADHM COc1cc(CNC(=O)Nc2cccc(F)c2C)cc(Cl)c1[O-] ZINC001189080330 1134542826 /nfs/dbraw/zinc/54/28/26/1134542826.db2.gz SCZIARRGXFSMCP-UHFFFAOYSA-N -1 3 338.766 3.823 20 0 EHADHM CCCCCc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC001189183448 1134549447 /nfs/dbraw/zinc/54/94/47/1134549447.db2.gz HHEZJZJDJQQZLZ-UHFFFAOYSA-N -1 3 326.322 3.809 20 0 EHADHM CCCCCc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC001189183448 1134549449 /nfs/dbraw/zinc/54/94/49/1134549449.db2.gz HHEZJZJDJQQZLZ-UHFFFAOYSA-N -1 3 326.322 3.809 20 0 EHADHM CSc1ccccc1[N-]C(=O)c1nc(Br)ccc1F ZINC000791447881 1134552743 /nfs/dbraw/zinc/55/27/43/1134552743.db2.gz JCCFRVLEIGAMMV-UHFFFAOYSA-N -1 3 341.205 3.957 20 0 EHADHM CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792082548 1134652466 /nfs/dbraw/zinc/65/24/66/1134652466.db2.gz SDZDIABFVOXSKU-GOSISDBHSA-N -1 3 337.423 3.587 20 0 EHADHM Cc1ccc([O-])c(NC(=O)Nc2ccccc2OC(F)(F)F)n1 ZINC001190654519 1134733246 /nfs/dbraw/zinc/73/32/46/1134733246.db2.gz YTYJNUZHPLJWRL-UHFFFAOYSA-N -1 3 327.262 3.638 20 0 EHADHM C/C(=C/C(=O)NCc1ncccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000792610950 1134741981 /nfs/dbraw/zinc/74/19/81/1134741981.db2.gz DLBMNBRBRHXTKR-LUAWRHEFSA-N -1 3 336.313 3.526 20 0 EHADHM O=C(NCC1(c2ccc(Cl)cc2)CC1)c1ccc(=O)[n-]c1Cl ZINC001190917885 1134770506 /nfs/dbraw/zinc/77/05/06/1134770506.db2.gz KEQLXJFYMYCTAP-UHFFFAOYSA-N -1 3 337.206 3.556 20 0 EHADHM CCC[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cnc(CC)s1 ZINC001191346731 1134846915 /nfs/dbraw/zinc/84/69/15/1134846915.db2.gz CTRNXWNYZNRRFR-OLZOCXBDSA-N -1 3 330.519 3.590 20 0 EHADHM COC(=O)c1ccc([O-])cc1NC(=O)Nc1cc(C)ccc1Cl ZINC001191712841 1134902950 /nfs/dbraw/zinc/90/29/50/1134902950.db2.gz IZROLMIOIYQCEH-UHFFFAOYSA-N -1 3 334.759 3.785 20 0 EHADHM Cc1nc(SC(F)F)sc1CC(=O)Nc1cccc([O-])c1F ZINC000793744514 1134987623 /nfs/dbraw/zinc/98/76/23/1134987623.db2.gz NOAIIOSWLALJEM-UHFFFAOYSA-N -1 3 348.371 3.792 20 0 EHADHM CCCCOC(=O)c1ccccc1C(=O)Nc1ccc(F)c([O-])c1 ZINC001192618231 1135041212 /nfs/dbraw/zinc/04/12/12/1135041212.db2.gz AIJQCAMEWSSYPB-UHFFFAOYSA-N -1 3 331.343 3.741 20 0 EHADHM C[C@@H](O)C[C@H]1CCCCCN1C(=O)c1cc2sccc2c([O-])c1 ZINC000804449688 1135080356 /nfs/dbraw/zinc/08/03/56/1135080356.db2.gz LBVBXEICXFNFPR-TZMCWYRMSA-N -1 3 333.453 3.763 20 0 EHADHM Cc1ccc([C@H](O)[C@H](C)NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000804485988 1135086147 /nfs/dbraw/zinc/08/61/47/1135086147.db2.gz ZBCDAGRVNAIXSE-VBKZILBWSA-N -1 3 335.403 3.706 20 0 EHADHM O=C([N-]c1ncccc1OCc1ccccc1)c1ocnc1C(F)F ZINC001129744844 1135154572 /nfs/dbraw/zinc/15/45/72/1135154572.db2.gz YPKQFKNWGAMRPY-UHFFFAOYSA-N -1 3 345.305 3.839 20 0 EHADHM Cc1cccc2ncc(NC(=O)c3ccc([O-])cc3C(F)(F)F)n21 ZINC001193733926 1135173833 /nfs/dbraw/zinc/17/38/33/1135173833.db2.gz BMBCEOQEDYUXNY-UHFFFAOYSA-N -1 3 335.285 3.619 20 0 EHADHM O=C(N[C@H]1CCCc2cccnc21)c1ccc([O-])cc1C(F)(F)F ZINC001193758388 1135183030 /nfs/dbraw/zinc/18/30/30/1135183030.db2.gz PSKKZKWKSOLIQL-AWEZNQCLSA-N -1 3 336.313 3.613 20 0 EHADHM O=C(NC1CC2(C1)CC(F)(F)C2)c1ccc([O-])cc1C(F)(F)F ZINC001193759663 1135183681 /nfs/dbraw/zinc/18/36/81/1135183681.db2.gz XBNALAZSBKCADU-UHFFFAOYSA-N -1 3 335.272 3.719 20 0 EHADHM Cc1cc(O)cc([O-])c1C(=O)N1CCC[C@@H]1c1ccc(F)cc1F ZINC001193928759 1135200001 /nfs/dbraw/zinc/20/00/01/1135200001.db2.gz FJEFGJDSXHHXCS-OAHLLOKOSA-N -1 3 333.334 3.662 20 0 EHADHM CCC[C@@H](C(=O)c1ccccc1)N(C)C(=O)c1c(C)cc(O)cc1[O-] ZINC001193928422 1135200067 /nfs/dbraw/zinc/20/00/67/1135200067.db2.gz BVBGVEOAYNBWMQ-INIZCTEOSA-N -1 3 341.407 3.530 20 0 EHADHM O=S(=O)([N-]C[C@]12C[C@H]1CCCC2)c1c(Cl)cccc1Cl ZINC001194821340 1135325882 /nfs/dbraw/zinc/32/58/82/1135325882.db2.gz KPEFWLRDIUQQPQ-YGRLFVJLSA-N -1 3 334.268 3.852 20 0 EHADHM CC(C)CCOC(=O)Nc1cc(I)ccc1[O-] ZINC001194879862 1135333845 /nfs/dbraw/zinc/33/38/45/1135333845.db2.gz HPYTWGYFZCQJPG-UHFFFAOYSA-N -1 3 349.168 3.591 20 0 EHADHM Cc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1OCCC(C)C ZINC000775637071 1135368685 /nfs/dbraw/zinc/36/86/85/1135368685.db2.gz ZXGDSGXKDHNMJE-QGZVFWFLSA-N -1 3 336.432 4.000 20 0 EHADHM Cc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1OCCC(C)C ZINC000775637071 1135368689 /nfs/dbraw/zinc/36/86/89/1135368689.db2.gz ZXGDSGXKDHNMJE-QGZVFWFLSA-N -1 3 336.432 4.000 20 0 EHADHM Cc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1OCCC(C)C ZINC000775637070 1135368911 /nfs/dbraw/zinc/36/89/11/1135368911.db2.gz ZXGDSGXKDHNMJE-KRWDZBQOSA-N -1 3 336.432 4.000 20 0 EHADHM Cc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1OCCC(C)C ZINC000775637070 1135368916 /nfs/dbraw/zinc/36/89/16/1135368916.db2.gz ZXGDSGXKDHNMJE-KRWDZBQOSA-N -1 3 336.432 4.000 20 0 EHADHM Cc1coc(C(=O)[N-]c2c(Cl)cccc2C(=O)C(F)(F)F)n1 ZINC001195765357 1135462147 /nfs/dbraw/zinc/46/21/47/1135462147.db2.gz JFGXITPCNQSSFS-UHFFFAOYSA-N -1 3 332.665 3.634 20 0 EHADHM O=C(Nc1ncccc1[O-])c1cnc(-c2ccc(Cl)cc2)s1 ZINC001196422045 1135561489 /nfs/dbraw/zinc/56/14/89/1135561489.db2.gz OOXIBELCWAICFB-UHFFFAOYSA-N -1 3 331.784 3.816 20 0 EHADHM CC(=O)c1cccc([O-])c1NC(=O)c1c(C)nc(Cl)cc1Cl ZINC001196693273 1135596088 /nfs/dbraw/zinc/59/60/88/1135596088.db2.gz PKWJZPUGFHUEDU-UHFFFAOYSA-N -1 3 339.178 3.857 20 0 EHADHM O=C(Nc1ccc2[nH][n-]c(=O)c2c1)c1ccc(-c2cccs2)nc1 ZINC001196782881 1135608828 /nfs/dbraw/zinc/60/88/28/1135608828.db2.gz DYRJVIBWYUYIOQ-UHFFFAOYSA-N -1 3 336.376 3.644 20 0 EHADHM CC(C)(C)c1nc(C(=O)[N-]c2ncc(-c3ccccc3)s2)no1 ZINC001196978955 1135636318 /nfs/dbraw/zinc/63/63/18/1135636318.db2.gz UAMWWFLPZKODRS-UHFFFAOYSA-N -1 3 328.397 3.743 20 0 EHADHM O=S(=O)(Cc1cccnc1)[N-]c1cccc2cccc(Cl)c21 ZINC001197466041 1135693397 /nfs/dbraw/zinc/69/33/97/1135693397.db2.gz ZFBKGGQKZLWMAJ-UHFFFAOYSA-N -1 3 332.812 3.830 20 0 EHADHM CCc1cccc(O)c1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC001197688127 1135725986 /nfs/dbraw/zinc/72/59/86/1135725986.db2.gz QVHJHKOBMAXZBL-UHFFFAOYSA-N -1 3 343.807 3.689 20 0 EHADHM COC(=O)c1cc([O-])c(F)cc1NC(=S)Nc1c(C)cccc1C ZINC001198361370 1135810478 /nfs/dbraw/zinc/81/04/78/1135810478.db2.gz APDKRIVNTCVKIV-UHFFFAOYSA-N -1 3 348.399 3.744 20 0 EHADHM COc1ccc(NCCC2CCCCCC2)cc1[N-]S(C)(=O)=O ZINC000809598570 1135860157 /nfs/dbraw/zinc/86/01/57/1135860157.db2.gz OKQMNICZIAYLMC-UHFFFAOYSA-N -1 3 340.489 3.839 20 0 EHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(C(C)C)c2)c(C)c1 ZINC001198943272 1135867161 /nfs/dbraw/zinc/86/71/61/1135867161.db2.gz CBZSFHIYFVTQEM-UHFFFAOYSA-N -1 3 349.452 3.936 20 0 EHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cccc(C)c3)nc(=O)c2c1C ZINC000004828879 1135892322 /nfs/dbraw/zinc/89/23/22/1135892322.db2.gz VCTRDHRULYNXTN-LLVKDONJSA-N -1 3 342.420 3.828 20 0 EHADHM Cc1ccc(C(=O)N2CCC(c3ccc(N(C)C)cc3)CC2)c([O-])c1 ZINC000775970629 1135905344 /nfs/dbraw/zinc/90/53/44/1135905344.db2.gz IJSQHJIESOKDRP-UHFFFAOYSA-N -1 3 338.451 3.786 20 0 EHADHM O=c1ccn(-c2ccc(NC/C=C\c3ccc(F)c(F)c3)cc2)[n-]1 ZINC001203321175 1135906309 /nfs/dbraw/zinc/90/63/09/1135906309.db2.gz SZYVOLRNPQTBKV-UPHRSURJSA-N -1 3 327.334 3.981 20 0 EHADHM COC(=O)c1ccc(Cl)c(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000810190318 1135936174 /nfs/dbraw/zinc/93/61/74/1135936174.db2.gz NFXFUWYZDRPLTJ-UHFFFAOYSA-N -1 3 340.162 3.738 20 0 EHADHM CC(C)COC(=O)[C@@H](C)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810824793 1136010013 /nfs/dbraw/zinc/01/00/13/1136010013.db2.gz GNFCAPKQFBFJIC-MRVPVSSYSA-N -1 3 329.805 3.627 20 0 EHADHM CCC[C@@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(=O)OCC ZINC000811395179 1136081811 /nfs/dbraw/zinc/08/18/11/1136081811.db2.gz YGGPRVOMMKOQLN-SNVBAGLBSA-N -1 3 329.805 3.771 20 0 EHADHM CC(C)[C@@H](NC(=O)c1cc([O-])ccc1Cl)[C@@H](O)c1ccccc1 ZINC000811474739 1136096599 /nfs/dbraw/zinc/09/65/99/1136096599.db2.gz RGYOPJVFOFEIHO-SJORKVTESA-N -1 3 333.815 3.534 20 0 EHADHM CN(CC(F)(F)Br)C(=O)c1cc([O-])c2ccccc2c1 ZINC000811528037 1136099196 /nfs/dbraw/zinc/09/91/96/1136099196.db2.gz AKOGXCIUMPOTJB-UHFFFAOYSA-N -1 3 344.155 3.605 20 0 EHADHM O=C(Nc1cc(=O)[n-]c(C2CC2)n1)Nc1ccccc1C(F)(F)F ZINC001202156456 1136102873 /nfs/dbraw/zinc/10/28/73/1136102873.db2.gz NHJPNIFYNBKAKA-UHFFFAOYSA-N -1 3 338.289 3.722 20 0 EHADHM CCc1nnc(SCc2cc(=O)oc3c(C)c([O-])ccc23)s1 ZINC000849972722 1136194708 /nfs/dbraw/zinc/19/47/08/1136194708.db2.gz XIENIRXLXMOVRD-UHFFFAOYSA-N -1 3 334.422 3.513 20 0 EHADHM O=C(CCCSc1ccc(Br)cc1)[N-]OC1CCC1 ZINC000812788125 1136247133 /nfs/dbraw/zinc/24/71/33/1136247133.db2.gz HHMAOLUAAHFOTK-UHFFFAOYSA-N -1 3 344.274 3.922 20 0 EHADHM CC(C)OCCO[N-]C(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000812810636 1136254966 /nfs/dbraw/zinc/25/49/66/1136254966.db2.gz ZPONCWCNRODPFJ-LBPRGKRZSA-N -1 3 333.350 3.672 20 0 EHADHM Cc1ccc(CC(=O)[N-]OCc2cc(Cl)cc3cccnc32)cc1 ZINC000747832390 1136280030 /nfs/dbraw/zinc/28/00/30/1136280030.db2.gz RQWHYWJRUCVYPI-UHFFFAOYSA-N -1 3 340.810 3.987 20 0 EHADHM Cc1ccc(OCCN2[C@@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc1 ZINC000851708760 1136400470 /nfs/dbraw/zinc/40/04/70/1136400470.db2.gz YSOAMRMNOUHMAY-RBUKOAKNSA-N -1 3 325.408 3.664 20 0 EHADHM O=C(Nc1cc(N2CCCC2=O)ccc1F)c1cc([O-])ccc1Cl ZINC000814333515 1136440242 /nfs/dbraw/zinc/44/02/42/1136440242.db2.gz SHDJNWKSODGRDM-UHFFFAOYSA-N -1 3 348.761 3.564 20 0 EHADHM CCCCC[C@@](C)(CC)C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000781437123 1136528031 /nfs/dbraw/zinc/52/80/31/1136528031.db2.gz MVBSRONCYOUQGP-QGZVFWFLSA-N -1 3 339.457 3.544 20 0 EHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3CCC=CCCC3)nc21 ZINC001134941024 1136574854 /nfs/dbraw/zinc/57/48/54/1136574854.db2.gz SDIQMCZUEBAMGA-CYBMUJFWSA-N -1 3 341.411 3.815 20 0 EHADHM Cc1ccc(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])n1C ZINC001135242222 1136642779 /nfs/dbraw/zinc/64/27/79/1136642779.db2.gz DSRAAALWGLPHHC-UHFFFAOYSA-N -1 3 348.446 3.754 20 0 EHADHM [O-]c1ccc(F)c(CN2CCC([C@@H](O)c3ccccc3)CC2)c1F ZINC000816484023 1136723466 /nfs/dbraw/zinc/72/34/66/1136723466.db2.gz NGSMBYAVLURQNX-IBGZPJMESA-N -1 3 333.378 3.616 20 0 EHADHM [O-]c1ccc(F)c(CNC[C@H](O)c2ccc3ccccc3c2)c1F ZINC000816546715 1136732315 /nfs/dbraw/zinc/73/23/15/1136732315.db2.gz UCMYAZGEOJEPOA-SFHVURJKSA-N -1 3 329.346 3.647 20 0 EHADHM CCCOc1ccc(C(=O)CCC(=O)[N-]Oc2ccccc2)cc1 ZINC000816684852 1136748440 /nfs/dbraw/zinc/74/84/40/1136748440.db2.gz SUGGHTZHRDYMFH-UHFFFAOYSA-N -1 3 327.380 3.549 20 0 EHADHM CCOc1ccc(OC(=O)c2cc([O-])cc(Br)c2)cc1 ZINC001135685895 1136751756 /nfs/dbraw/zinc/75/17/56/1136751756.db2.gz YSJIIKOXVYODRO-UHFFFAOYSA-N -1 3 337.169 3.773 20 0 EHADHM O=C(/C=C\COc1ccccc1)Nc1cc(Br)ccc1[O-] ZINC000816944013 1136766085 /nfs/dbraw/zinc/76/60/85/1136766085.db2.gz PFFODZMOCHGFOW-DAXSKMNVSA-N -1 3 348.196 3.728 20 0 EHADHM O=C(Cc1ccncc1Cl)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000816953008 1136766412 /nfs/dbraw/zinc/76/64/12/1136766412.db2.gz XFYSQPVPRWMCDS-UHFFFAOYSA-N -1 3 344.720 3.544 20 0 EHADHM O=C(Cc1csc2ccc(Br)cc12)[N-]OCC1CC1 ZINC000817355214 1136797982 /nfs/dbraw/zinc/79/79/82/1136797982.db2.gz VRLKYMHVAAGTKZ-UHFFFAOYSA-N -1 3 340.242 3.664 20 0 EHADHM O=C(CCSc1ccnc2cc(Cl)ccc21)[N-]OCC1CC1 ZINC000817334934 1136799490 /nfs/dbraw/zinc/79/94/90/1136799490.db2.gz TXNGDACMZYCCHW-UHFFFAOYSA-N -1 3 336.844 3.828 20 0 EHADHM C[C@@H](CC(=O)[N-]OCC1CC1)c1ccc(F)c(Br)c1 ZINC000817339743 1136799872 /nfs/dbraw/zinc/79/98/72/1136799872.db2.gz VQWLGBGIAGNDFQ-VIFPVBQESA-N -1 3 330.197 3.540 20 0 EHADHM Cc1cc([C@H]2CCCN2C(=O)c2cc([O-])cc(C(F)(F)F)c2)no1 ZINC000856868396 1136819445 /nfs/dbraw/zinc/81/94/45/1136819445.db2.gz BHCNPYUEXVZWMH-CQSZACIVSA-N -1 3 340.301 3.685 20 0 EHADHM O=C(CCCc1ccc([O-])c(F)c1)NCC[C@H]1CC1(Cl)Cl ZINC000857382026 1136867599 /nfs/dbraw/zinc/86/75/99/1136867599.db2.gz YKMCHNSIJXKHMM-NSHDSACASA-N -1 3 334.218 3.554 20 0 EHADHM CC1CCC(Oc2cc(C[N-]C(=O)C(F)(F)C(F)F)ccn2)CC1 ZINC000857451780 1136872501 /nfs/dbraw/zinc/87/25/01/1136872501.db2.gz IGXSAZNSUVPJAP-UHFFFAOYSA-N -1 3 348.340 3.556 20 0 EHADHM CCCO[N-]C(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000857544591 1136881991 /nfs/dbraw/zinc/88/19/91/1136881991.db2.gz SFHHKSZTXHPEND-UHFFFAOYSA-N -1 3 333.815 3.919 20 0 EHADHM [O-]c1cccc(CN2CC[C@H](Oc3ccc(C4CC4)cn3)C2)c1Cl ZINC000858017738 1136932585 /nfs/dbraw/zinc/93/25/85/1136932585.db2.gz UTDREWBGSUGVTJ-INIZCTEOSA-N -1 3 344.842 3.971 20 0 EHADHM Cc1cc(N(C)C)ccc1NC(=O)c1cc([O-])cc(Br)c1 ZINC001136229801 1136946713 /nfs/dbraw/zinc/94/67/13/1136946713.db2.gz JXQICEWCPDMUCD-UHFFFAOYSA-N -1 3 349.228 3.781 20 0 EHADHM CCc1ccc(C(=O)NCC(C)(C)c2ccccc2OC)c([O-])c1 ZINC001136482744 1137034269 /nfs/dbraw/zinc/03/42/69/1137034269.db2.gz MLLRIKRYXRJYSP-UHFFFAOYSA-N -1 3 327.424 3.671 20 0 EHADHM CC(C)(C)C[C@H]1CCCN1Cn1[n-]c(-c2ccccn2)nc1=S ZINC000117319664 1137050357 /nfs/dbraw/zinc/05/03/57/1137050357.db2.gz OUMMRUNHWRBBEQ-CYBMUJFWSA-N -1 3 331.489 3.861 20 0 EHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1nnc(C2CCCCC2)s1 ZINC000822686285 1137070371 /nfs/dbraw/zinc/07/03/71/1137070371.db2.gz NGAOLJMECNSMSB-UHFFFAOYSA-N -1 3 335.404 3.612 20 0 EHADHM O=C(Nc1cc(F)cc(F)c1[O-])c1ccc(CN2CCCCC2)o1 ZINC000822972715 1137081451 /nfs/dbraw/zinc/08/14/51/1137081451.db2.gz 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BXOLATPALQQFNT-CYBMUJFWSA-N -1 3 329.396 3.681 20 0 EHADHM Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C)C2)c([O-])c1C ZINC000130981036 223193483 /nfs/dbraw/zinc/19/34/83/223193483.db2.gz ZBMXQYNZBBIPIZ-KSSFIOAISA-N -1 3 325.408 3.611 20 0 EHADHM COc1c(F)cc(NC(=O)c2c[n-]nc2-c2ccccc2)cc1F ZINC000132080884 223297999 /nfs/dbraw/zinc/29/79/99/223297999.db2.gz JXUOUQVACUUEAJ-UHFFFAOYSA-N -1 3 329.306 3.616 20 0 EHADHM COc1cc(CNc2ccc(F)cc2)cc(Br)c1[O-] ZINC000019941979 212088846 /nfs/dbraw/zinc/08/88/46/212088846.db2.gz MKSSVZMIJNVIDM-UHFFFAOYSA-N -1 3 326.165 3.915 20 0 EHADHM C[C@@H]1C[C@@H](C)CN(Cc2cc(C(=O)[O-])ccc2Br)C1 ZINC000675074078 564112937 /nfs/dbraw/zinc/11/29/37/564112937.db2.gz XHVHGWCNTOAKJE-GHMZBOCLSA-N -1 3 326.234 3.625 20 0 EHADHM Cc1cc(Br)ccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737232163 598942894 /nfs/dbraw/zinc/94/28/94/598942894.db2.gz YAJDBRCBVKBQBL-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM Cc1cc(Br)ccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737232163 598942896 /nfs/dbraw/zinc/94/28/96/598942896.db2.gz YAJDBRCBVKBQBL-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM CCc1ccccc1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736701403 598972838 /nfs/dbraw/zinc/97/28/38/598972838.db2.gz BNJLJMFIZRLHNG-UHFFFAOYSA-N -1 3 330.395 3.589 20 0 EHADHM CCc1ccccc1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736701403 598972840 /nfs/dbraw/zinc/97/28/40/598972840.db2.gz BNJLJMFIZRLHNG-UHFFFAOYSA-N -1 3 330.395 3.589 20 0 EHADHM CC(C)CC[C@@H](C)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000735798679 599048380 /nfs/dbraw/zinc/04/83/80/599048380.db2.gz YAJFHDWVNFNAFN-SECBINFHSA-N -1 3 328.342 3.517 20 0 EHADHM CC(C)CC[C@@H](C)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000735798679 599048383 /nfs/dbraw/zinc/04/83/83/599048383.db2.gz YAJFHDWVNFNAFN-SECBINFHSA-N -1 3 328.342 3.517 20 0 EHADHM COc1ccc(C=Cc2ccc3ccccc3n2)cc1-c1nnn[n-]1 ZINC000737081949 599151176 /nfs/dbraw/zinc/15/11/76/599151176.db2.gz SDOUNRCFVJHNHB-TWGQIWQCSA-N -1 3 329.363 3.594 20 0 EHADHM COc1ccc(C=Cc2ccc3ccccc3n2)cc1-c1nn[n-]n1 ZINC000737081949 599151178 /nfs/dbraw/zinc/15/11/78/599151178.db2.gz SDOUNRCFVJHNHB-TWGQIWQCSA-N -1 3 329.363 3.594 20 0 EHADHM CCCCCC[C@@H](C)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736443633 599182068 /nfs/dbraw/zinc/18/20/68/599182068.db2.gz AZHQEBXGXKXFLJ-ZIAGYGMSSA-N -1 3 329.448 3.650 20 0 EHADHM CCCCCC[C@@H](C)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736443633 599182070 /nfs/dbraw/zinc/18/20/70/599182070.db2.gz AZHQEBXGXKXFLJ-ZIAGYGMSSA-N -1 3 329.448 3.650 20 0 EHADHM Clc1cccc(SCCOc2ccccc2)c1-c1nnn[n-]1 ZINC000822585624 599202627 /nfs/dbraw/zinc/20/26/27/599202627.db2.gz HLRUVLHZICZGEI-UHFFFAOYSA-N -1 3 332.816 3.691 20 0 EHADHM Clc1cccc(SCCOc2ccccc2)c1-c1nn[n-]n1 ZINC000822585624 599202629 /nfs/dbraw/zinc/20/26/29/599202629.db2.gz HLRUVLHZICZGEI-UHFFFAOYSA-N -1 3 332.816 3.691 20 0 EHADHM C[C@@H]1C[C@H](C)CN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC000736228000 599252255 /nfs/dbraw/zinc/25/22/55/599252255.db2.gz MYGQENCHBMRXIU-PHIMTYICSA-N -1 3 342.834 3.551 20 0 EHADHM C[C@@H]1C[C@H](C)CN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C1 ZINC000736228000 599252258 /nfs/dbraw/zinc/25/22/58/599252258.db2.gz MYGQENCHBMRXIU-PHIMTYICSA-N -1 3 342.834 3.551 20 0 EHADHM Cc1nc(-c2ccc(NCc3ccc(-c4nnn[n-]4)cc3)cc2)oc1C ZINC000822418648 607314642 /nfs/dbraw/zinc/31/46/42/607314642.db2.gz BKAHWGMVVGNRNQ-UHFFFAOYSA-N -1 3 346.394 3.751 20 0 EHADHM Cc1nc(-c2ccc(NCc3ccc(-c4nn[n-]n4)cc3)cc2)oc1C ZINC000822418648 607314643 /nfs/dbraw/zinc/31/46/43/607314643.db2.gz BKAHWGMVVGNRNQ-UHFFFAOYSA-N -1 3 346.394 3.751 20 0 EHADHM CCc1ccc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000736685477 599265843 /nfs/dbraw/zinc/26/58/43/599265843.db2.gz LRUDPKPJWPAQSE-HNNXBMFYSA-N -1 3 327.363 3.503 20 0 EHADHM Clc1ccc(N[C@H]2CSc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000737573351 599269905 /nfs/dbraw/zinc/26/99/05/599269905.db2.gz GHUUEYHSPKJCAV-ZDUSSCGKSA-N -1 3 329.816 3.779 20 0 EHADHM Clc1ccc(N[C@H]2CSc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000737573351 599269907 /nfs/dbraw/zinc/26/99/07/599269907.db2.gz GHUUEYHSPKJCAV-ZDUSSCGKSA-N -1 3 329.816 3.779 20 0 EHADHM c1cc(-c2nnn[n-]2)sc1CNc1ccc2nc(C3CC3)oc2c1 ZINC000823767513 607319008 /nfs/dbraw/zinc/31/90/08/607319008.db2.gz SHWHAYCAUFHKHA-UHFFFAOYSA-N -1 3 338.396 3.559 20 0 EHADHM O=C([O-])c1cccc(CNCc2ccc(OCc3ccccn3)cc2)c1 ZINC000426694402 598194010 /nfs/dbraw/zinc/19/40/10/598194010.db2.gz CQTXXEOATARJCR-UHFFFAOYSA-N -1 3 348.402 3.649 20 0 EHADHM CC[C@@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)C(C)C ZINC000736331415 598277582 /nfs/dbraw/zinc/27/75/82/598277582.db2.gz JPLDVKKZRDSPAL-NSHDSACASA-N -1 3 347.488 3.818 20 0 EHADHM CC[C@@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)C(C)C ZINC000736331415 598277584 /nfs/dbraw/zinc/27/75/84/598277584.db2.gz JPLDVKKZRDSPAL-NSHDSACASA-N -1 3 347.488 3.818 20 0 EHADHM c1c(CSCc2cccc(-c3nnn[n-]3)c2)onc1-c1ccccc1 ZINC000738421199 598314417 /nfs/dbraw/zinc/31/44/17/598314417.db2.gz QADWJRHEYWNTPG-UHFFFAOYSA-N -1 3 349.419 3.955 20 0 EHADHM c1c(CSCc2cccc(-c3nn[n-]n3)c2)onc1-c1ccccc1 ZINC000738421199 598314419 /nfs/dbraw/zinc/31/44/19/598314419.db2.gz QADWJRHEYWNTPG-UHFFFAOYSA-N -1 3 349.419 3.955 20 0 EHADHM Cc1ccc(C)c(N(C(=O)c2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000737324019 598373234 /nfs/dbraw/zinc/37/32/34/598373234.db2.gz YBBQEGKDGSLTNY-UHFFFAOYSA-N -1 3 335.411 3.539 20 0 EHADHM Cc1ccc(C)c(N(C(=O)c2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000737324019 598373236 /nfs/dbraw/zinc/37/32/36/598373236.db2.gz YBBQEGKDGSLTNY-UHFFFAOYSA-N -1 3 335.411 3.539 20 0 EHADHM Cc1nc(-c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)cs1 ZINC000737463105 598403672 /nfs/dbraw/zinc/40/36/72/598403672.db2.gz IXPAOMSGYRXGHJ-UHFFFAOYSA-N -1 3 349.419 3.878 20 0 EHADHM Cc1nc(-c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)cs1 ZINC000737463105 598403673 /nfs/dbraw/zinc/40/36/73/598403673.db2.gz IXPAOMSGYRXGHJ-UHFFFAOYSA-N -1 3 349.419 3.878 20 0 EHADHM C[C@H](Nc1ncccc1-c1nnn[n-]1)c1nc(-c2ccccc2)cs1 ZINC000736136516 598426835 /nfs/dbraw/zinc/42/68/35/598426835.db2.gz FSMYZIDMMMWPOF-NSHDSACASA-N -1 3 349.423 3.558 20 0 EHADHM C[C@H](Nc1ncccc1-c1nn[n-]n1)c1nc(-c2ccccc2)cs1 ZINC000736136516 598426837 /nfs/dbraw/zinc/42/68/37/598426837.db2.gz FSMYZIDMMMWPOF-NSHDSACASA-N -1 3 349.423 3.558 20 0 EHADHM C[C@H]1CCCC[C@@H]1CC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736258917 598488034 /nfs/dbraw/zinc/48/80/34/598488034.db2.gz CQADZQZSMNBBLV-QWHCGFSZSA-N -1 3 344.463 3.578 20 0 EHADHM C[C@H]1CCCC[C@@H]1CC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736258917 598488035 /nfs/dbraw/zinc/48/80/35/598488035.db2.gz CQADZQZSMNBBLV-QWHCGFSZSA-N -1 3 344.463 3.578 20 0 EHADHM CCc1c(C)sc(NC(=O)c2ccccc2Cl)c1-c1nnn[n-]1 ZINC000736676287 598519324 /nfs/dbraw/zinc/51/93/24/598519324.db2.gz QOXTXZDHMAHBQR-UHFFFAOYSA-N -1 3 347.831 3.705 20 0 EHADHM CCc1c(C)sc(NC(=O)c2ccccc2Cl)c1-c1nn[n-]n1 ZINC000736676287 598519326 /nfs/dbraw/zinc/51/93/26/598519326.db2.gz QOXTXZDHMAHBQR-UHFFFAOYSA-N -1 3 347.831 3.705 20 0 EHADHM Cc1c(C(=O)Nc2ccccc2-c2nnn[n-]2)oc2c1c(C)ccc2C ZINC000737326071 598571946 /nfs/dbraw/zinc/57/19/46/598571946.db2.gz KUPJKDFLESPANS-UHFFFAOYSA-N -1 3 347.378 3.790 20 0 EHADHM Cc1c(C(=O)Nc2ccccc2-c2nn[n-]n2)oc2c1c(C)ccc2C ZINC000737326071 598571947 /nfs/dbraw/zinc/57/19/47/598571947.db2.gz KUPJKDFLESPANS-UHFFFAOYSA-N -1 3 347.378 3.790 20 0 EHADHM Cc1cc(-c2noc(C=Cc3ccccc3-c3nnn[n-]3)n2)ccc1F ZINC000737225468 598611061 /nfs/dbraw/zinc/61/10/61/598611061.db2.gz DUPWOPQJJXGAGY-VQHVLOKHSA-N -1 3 348.341 3.535 20 0 EHADHM Cc1cc(-c2noc(C=Cc3ccccc3-c3nn[n-]n3)n2)ccc1F ZINC000737225468 598611063 /nfs/dbraw/zinc/61/10/63/598611063.db2.gz DUPWOPQJJXGAGY-VQHVLOKHSA-N -1 3 348.341 3.535 20 0 EHADHM CC(C)CCOC1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000735819965 598652855 /nfs/dbraw/zinc/65/28/55/598652855.db2.gz MVHSRSDDTYSHMQ-UHFFFAOYSA-N -1 3 349.866 3.552 20 0 EHADHM CC(C)CCOC1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000735819965 598652857 /nfs/dbraw/zinc/65/28/57/598652857.db2.gz MVHSRSDDTYSHMQ-UHFFFAOYSA-N -1 3 349.866 3.552 20 0 EHADHM CCOCc1ccccc1CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000736624640 598792975 /nfs/dbraw/zinc/79/29/75/598792975.db2.gz BPONKMIEKACCEK-UHFFFAOYSA-N -1 3 343.818 3.669 20 0 EHADHM CCOCc1ccccc1CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736624640 598792976 /nfs/dbraw/zinc/79/29/76/598792976.db2.gz BPONKMIEKACCEK-UHFFFAOYSA-N -1 3 343.818 3.669 20 0 EHADHM CC[C@H](Nc1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1OC ZINC000736369043 598814352 /nfs/dbraw/zinc/81/43/52/598814352.db2.gz KANIKZPAJMKLJW-AWEZNQCLSA-N -1 3 345.353 3.717 20 0 EHADHM CC[C@H](Nc1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1OC ZINC000736369043 598814353 /nfs/dbraw/zinc/81/43/53/598814353.db2.gz KANIKZPAJMKLJW-AWEZNQCLSA-N -1 3 345.353 3.717 20 0 EHADHM Fc1ccc(C(F)(F)F)cc1C=Cc1ccc(-c2nnn[n-]2)cn1 ZINC000737650004 598820910 /nfs/dbraw/zinc/82/09/10/598820910.db2.gz MOGLVXDELNUATE-DAFODLJHSA-N -1 3 335.264 3.590 20 0 EHADHM Fc1ccc(C(F)(F)F)cc1C=Cc1ccc(-c2nn[n-]n2)cn1 ZINC000737650004 598820911 /nfs/dbraw/zinc/82/09/11/598820911.db2.gz MOGLVXDELNUATE-DAFODLJHSA-N -1 3 335.264 3.590 20 0 EHADHM Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2)ccc1C(F)(F)F ZINC000737281706 599333060 /nfs/dbraw/zinc/33/30/60/599333060.db2.gz WNAGXSLXUXURPI-UHFFFAOYSA-N -1 3 333.317 3.806 20 0 EHADHM Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2)ccc1C(F)(F)F ZINC000737281706 599333061 /nfs/dbraw/zinc/33/30/61/599333061.db2.gz WNAGXSLXUXURPI-UHFFFAOYSA-N -1 3 333.317 3.806 20 0 EHADHM COc1ccc2nc(N[C@H](C)c3cccc(-c4nnn[n-]4)c3)ccc2c1 ZINC000821853949 599356053 /nfs/dbraw/zinc/35/60/53/599356053.db2.gz DERVYQIRDGVBKA-GFCCVEGCSA-N -1 3 346.394 3.597 20 0 EHADHM COc1ccc2nc(N[C@H](C)c3cccc(-c4nn[n-]n4)c3)ccc2c1 ZINC000821853949 599356054 /nfs/dbraw/zinc/35/60/54/599356054.db2.gz DERVYQIRDGVBKA-GFCCVEGCSA-N -1 3 346.394 3.597 20 0 EHADHM FC(F)(F)CCCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822714627 599358423 /nfs/dbraw/zinc/35/84/23/599358423.db2.gz QNKPUPKXXZIZGY-UHFFFAOYSA-N -1 3 339.243 3.640 20 0 EHADHM FC(F)(F)CCCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822714627 599358425 /nfs/dbraw/zinc/35/84/25/599358425.db2.gz QNKPUPKXXZIZGY-UHFFFAOYSA-N -1 3 339.243 3.640 20 0 EHADHM Clc1ccc(-c2nnn[n-]2)c(N[C@@H]2CSc3ccccc32)c1 ZINC000737570634 599441240 /nfs/dbraw/zinc/44/12/40/599441240.db2.gz JDTWQDNZHMYXEW-CYBMUJFWSA-N -1 3 329.816 3.779 20 0 EHADHM Clc1ccc(-c2nn[n-]n2)c(N[C@@H]2CSc3ccccc32)c1 ZINC000737570634 599441242 /nfs/dbraw/zinc/44/12/42/599441242.db2.gz JDTWQDNZHMYXEW-CYBMUJFWSA-N -1 3 329.816 3.779 20 0 EHADHM CCCCC[C@@H](C)CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821050397 599517625 /nfs/dbraw/zinc/51/76/25/599517625.db2.gz RMAYWJQQXZLJNI-ZIAGYGMSSA-N -1 3 329.448 3.650 20 0 EHADHM CCCCC[C@@H](C)CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821050397 599517626 /nfs/dbraw/zinc/51/76/26/599517626.db2.gz RMAYWJQQXZLJNI-ZIAGYGMSSA-N -1 3 329.448 3.650 20 0 EHADHM C[C@H](SCCOc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000736192446 599524204 /nfs/dbraw/zinc/52/42/04/599524204.db2.gz YZBUIDSZVSOMFC-NSHDSACASA-N -1 3 332.454 3.801 20 0 EHADHM C[C@H](SCCOc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000736192446 599524206 /nfs/dbraw/zinc/52/42/06/599524206.db2.gz YZBUIDSZVSOMFC-NSHDSACASA-N -1 3 332.454 3.801 20 0 EHADHM CC[C@H](CC1CCCC1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820903408 599526634 /nfs/dbraw/zinc/52/66/34/599526634.db2.gz UCRRQFYPCMMNFO-DZGCQCFKSA-N -1 3 341.459 3.650 20 0 EHADHM CC[C@H](CC1CCCC1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820903408 599526636 /nfs/dbraw/zinc/52/66/36/599526636.db2.gz UCRRQFYPCMMNFO-DZGCQCFKSA-N -1 3 341.459 3.650 20 0 EHADHM CC[C@H](CC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000736331779 599538823 /nfs/dbraw/zinc/53/88/23/599538823.db2.gz KQGFOILDFWMIGA-GFCCVEGCSA-N -1 3 341.440 3.759 20 0 EHADHM CC[C@H](CC(=O)Nc1sccc1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000736331779 599538825 /nfs/dbraw/zinc/53/88/25/599538825.db2.gz KQGFOILDFWMIGA-GFCCVEGCSA-N -1 3 341.440 3.759 20 0 EHADHM Clc1cccc(-c2nnn[n-]2)c1N1CC[C@H](Cc2ccccc2)C1 ZINC000822582899 599579991 /nfs/dbraw/zinc/57/99/91/599579991.db2.gz ZWCUWXRBGPTHGU-CQSZACIVSA-N -1 3 339.830 3.589 20 0 EHADHM Clc1cccc(-c2nn[n-]n2)c1N1CC[C@H](Cc2ccccc2)C1 ZINC000822582899 599579993 /nfs/dbraw/zinc/57/99/93/599579993.db2.gz ZWCUWXRBGPTHGU-CQSZACIVSA-N -1 3 339.830 3.589 20 0 EHADHM O=C([O-])c1coc(CN(Cc2ccc3c(c2)OCO3)C2CCCC2)c1 ZINC000740269334 599846555 /nfs/dbraw/zinc/84/65/55/599846555.db2.gz MXMVRUKNCNLLIJ-UHFFFAOYSA-N -1 3 343.379 3.651 20 0 EHADHM O=C([O-])N1CCC[C@@H](NCc2ccc(-c3ccccc3Cl)o2)C1 ZINC000739926321 599860602 /nfs/dbraw/zinc/86/06/02/599860602.db2.gz HJAHPPYPVSPERX-GFCCVEGCSA-N -1 3 334.803 3.832 20 0 EHADHM O=C([O-])c1occc1CN1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000740281610 600014625 /nfs/dbraw/zinc/01/46/25/600014625.db2.gz MQNFPLQFUFGIKN-INIZCTEOSA-N -1 3 349.814 3.577 20 0 EHADHM CN(c1ccccc1)C1CCN(Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC000737505613 600090926 /nfs/dbraw/zinc/09/09/26/600090926.db2.gz BHUSKWGVOAOIQV-UHFFFAOYSA-N -1 3 342.414 3.625 20 0 EHADHM Cc1ccc(C(=O)[O-])cc1NC(=O)CN[C@H](c1ccccc1)C(C)C ZINC000738530584 600117022 /nfs/dbraw/zinc/11/70/22/600117022.db2.gz FTPLHZHIVDEOJT-IBGZPJMESA-N -1 3 340.423 3.619 20 0 EHADHM CN(Cc1ccc(F)c(F)c1)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737472100 600398971 /nfs/dbraw/zinc/39/89/71/600398971.db2.gz MJSGPPHXMQKMKX-HNNXBMFYSA-N -1 3 325.742 3.876 20 0 EHADHM CO[C@@H](CN[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl)C(C)(C)C ZINC000831519419 600695147 /nfs/dbraw/zinc/69/51/47/600695147.db2.gz NXAHEWQNBBZRFD-STQMWFEESA-N -1 3 334.243 3.770 20 0 EHADHM Cc1ccc(CCN(Cc2cc(C(=O)[O-])co2)C[C@H]2CCCO2)cc1 ZINC000572296027 600848167 /nfs/dbraw/zinc/84/81/67/600848167.db2.gz KNHZBAPUMTUZFQ-GOSISDBHSA-N -1 3 343.423 3.510 20 0 EHADHM COc1ccc(Cl)cc1CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832367428 601206501 /nfs/dbraw/zinc/20/65/01/601206501.db2.gz DELRXVJNRTXXLJ-SJCJKPOMSA-N -1 3 333.815 3.900 20 0 EHADHM CCc1oc(C(=O)[O-])cc1CN1CCC(Nc2cccc(C)c2)CC1 ZINC000830369302 601421861 /nfs/dbraw/zinc/42/18/61/601421861.db2.gz LVPIOSYIZQPSPL-UHFFFAOYSA-N -1 3 342.439 3.925 20 0 EHADHM CCN(CC(=O)Nc1sc(C)c(C)c1C(=O)[O-])C1CCCCC1 ZINC000829624576 601584681 /nfs/dbraw/zinc/58/46/81/601584681.db2.gz YXNPPHSKBLRUOA-UHFFFAOYSA-N -1 3 338.473 3.656 20 0 EHADHM Cc1sc(C(=O)[O-])cc1CN1CCC([C@@H](O)c2ccccc2)CC1 ZINC000833032983 601617319 /nfs/dbraw/zinc/61/73/19/601617319.db2.gz RWDMOIXTIOEYHK-SFHVURJKSA-N -1 3 345.464 3.700 20 0 EHADHM C[C@@H](C(=O)[O-])[C@@H](NCc1cnc(-c2ccccc2)nc1)c1ccccc1 ZINC000826051148 601657615 /nfs/dbraw/zinc/65/76/15/601657615.db2.gz AUQMCVWNGIHYNY-DNVCBOLYSA-N -1 3 347.418 3.695 20 0 EHADHM Cc1nc(C2CCN(Cc3ccsc3C(=O)[O-])CC2)sc1C ZINC000832996880 601811921 /nfs/dbraw/zinc/81/19/21/601811921.db2.gz IHMDAKMEKFRXNX-UHFFFAOYSA-N -1 3 336.482 3.899 20 0 EHADHM CCCOc1ccc([C@H](C)NCc2ccc(NC(=O)[O-])nc2)cc1 ZINC000826934975 603543451 /nfs/dbraw/zinc/54/34/51/603543451.db2.gz JMRJFZDIZKUFOO-ZDUSSCGKSA-N -1 3 329.400 3.811 20 0 EHADHM C[C@@H](c1cccc(Cl)c1)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000825629996 604104269 /nfs/dbraw/zinc/10/42/69/604104269.db2.gz LTSGJHXTDKQLQO-ZDUSSCGKSA-N -1 3 340.851 3.540 20 0 EHADHM CC[C@@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1cc(Cl)ccc1OC ZINC000828983495 604287848 /nfs/dbraw/zinc/28/78/48/604287848.db2.gz WIDRJIMWSIHZQY-TZMCWYRMSA-N -1 3 326.824 3.532 20 0 EHADHM CC(C)c1ccc(NC(=O)C[C@@H](C)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000827234357 604329434 /nfs/dbraw/zinc/32/94/34/604329434.db2.gz FABXVDCEZZAUKM-CYBMUJFWSA-N -1 3 344.411 3.608 20 0 EHADHM CN(Cc1csc(-c2ccccc2F)n1)C1(C(=O)[O-])CCCC1 ZINC000830869699 604457693 /nfs/dbraw/zinc/45/76/93/604457693.db2.gz DMXCHFJOQYFJFF-UHFFFAOYSA-N -1 3 334.416 3.778 20 0 EHADHM O=C([O-])[C@@H]1CC12CCN(Cc1c(Cl)cccc1OC(F)F)CC2 ZINC000833771775 604651282 /nfs/dbraw/zinc/65/12/82/604651282.db2.gz PSHIIBVGOOBXTE-NSHDSACASA-N -1 3 345.773 3.628 20 0 EHADHM C[C@]1(NCc2nc(-c3ccc(Cl)cc3)no2)CCCC[C@H]1C(=O)[O-] ZINC000833570903 604819535 /nfs/dbraw/zinc/81/95/35/604819535.db2.gz VIQFUTQAYUXSQW-GUYCJALGSA-N -1 3 349.818 3.513 20 0 EHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000327113269 604930194 /nfs/dbraw/zinc/93/01/94/604930194.db2.gz ZPBYTMUPLLCTGY-CQSZACIVSA-N -1 3 346.402 3.804 20 0 EHADHM CCn1c(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)nc2cc(F)ccc21 ZINC000652499773 604942252 /nfs/dbraw/zinc/94/22/52/604942252.db2.gz LTABZUSTZRPXJJ-ZDUSSCGKSA-N -1 3 347.434 3.518 20 0 EHADHM Cc1ccc(-c2nc(CN[C@@]3(C)CCCC[C@@H]3C(=O)[O-])cs2)o1 ZINC000833746437 605062345 /nfs/dbraw/zinc/06/23/45/605062345.db2.gz GQKQYWSHNXVVOP-DYVFJYSZSA-N -1 3 334.441 3.835 20 0 EHADHM CC(C)Oc1cccc([C@@H](C)NCc2ccccc2CC(=O)[O-])c1 ZINC000833507107 605070300 /nfs/dbraw/zinc/07/03/00/605070300.db2.gz UHEUKMRKHZXYTK-OAHLLOKOSA-N -1 3 327.424 3.952 20 0 EHADHM CC(C)OC1CCC(Nc2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000824308954 607734651 /nfs/dbraw/zinc/73/46/51/607734651.db2.gz BNSOSYPJKWOXJZ-UHFFFAOYSA-N -1 3 335.839 3.668 20 0 EHADHM CC(C)OC1CCC(Nc2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000824308954 607734652 /nfs/dbraw/zinc/73/46/52/607734652.db2.gz BNSOSYPJKWOXJZ-UHFFFAOYSA-N -1 3 335.839 3.668 20 0 EHADHM CCc1oc(C(=O)[O-])cc1CN[C@@H](C)c1ccccc1-n1cccn1 ZINC000833680002 605136151 /nfs/dbraw/zinc/13/61/51/605136151.db2.gz AMZDWISNAJATGQ-ZDUSSCGKSA-N -1 3 339.395 3.577 20 0 EHADHM C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000824915739 607757449 /nfs/dbraw/zinc/75/74/49/607757449.db2.gz HYTZKLAFZLYYGO-SJKOYZFVSA-N -1 3 348.410 3.627 20 0 EHADHM C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000824915739 607757450 /nfs/dbraw/zinc/75/74/50/607757450.db2.gz HYTZKLAFZLYYGO-SJKOYZFVSA-N -1 3 348.410 3.627 20 0 EHADHM O=C([O-])Nc1ccc(CNCc2cccc(-c3ccccn3)c2)cn1 ZINC000834259831 605708559 /nfs/dbraw/zinc/70/85/59/605708559.db2.gz HRCYQLMUJVKFFZ-UHFFFAOYSA-N -1 3 334.379 3.523 20 0 EHADHM O=C([O-])c1ccc(F)c(CN[C@H](c2ccccc2)C2CCOCC2)c1 ZINC000833780808 605845422 /nfs/dbraw/zinc/84/54/22/605845422.db2.gz FNTNPDXJRRBARC-LJQANCHMSA-N -1 3 343.398 3.781 20 0 EHADHM FC(F)(F)Cc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822718945 606221937 /nfs/dbraw/zinc/22/19/37/606221937.db2.gz WHNLNJNWMULKDT-UHFFFAOYSA-N -1 3 339.346 3.645 20 0 EHADHM FC(F)(F)Cc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822718945 606221938 /nfs/dbraw/zinc/22/19/38/606221938.db2.gz WHNLNJNWMULKDT-UHFFFAOYSA-N -1 3 339.346 3.645 20 0 EHADHM C[C@@H](Nc1ccc(OCC(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820456347 606239641 /nfs/dbraw/zinc/23/96/41/606239641.db2.gz SXYLBQNNHMVIQX-LLVKDONJSA-N -1 3 345.353 3.684 20 0 EHADHM C[C@@H](Nc1ccc(OCC(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820456347 606239643 /nfs/dbraw/zinc/23/96/43/606239643.db2.gz SXYLBQNNHMVIQX-LLVKDONJSA-N -1 3 345.353 3.684 20 0 EHADHM C[C@H](Cc1ccc2ccccc2n1)Sc1ccc(-c2nnn[n-]2)cn1 ZINC000820299408 606310114 /nfs/dbraw/zinc/31/01/14/606310114.db2.gz GGWQHIKHHFHQGA-GFCCVEGCSA-N -1 3 348.435 3.533 20 0 EHADHM C[C@H](Cc1ccc2ccccc2n1)Sc1ccc(-c2nn[n-]n2)cn1 ZINC000820299408 606310115 /nfs/dbraw/zinc/31/01/15/606310115.db2.gz GGWQHIKHHFHQGA-GFCCVEGCSA-N -1 3 348.435 3.533 20 0 EHADHM C[C@H](OC(=O)c1cccc(C(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513060 606342690 /nfs/dbraw/zinc/34/26/90/606342690.db2.gz SZYJHVZBGJCEKV-JTQLQIEISA-N -1 3 344.321 3.722 20 0 EHADHM C[C@H](OC(=O)c1cccc(C(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513060 606342692 /nfs/dbraw/zinc/34/26/92/606342692.db2.gz SZYJHVZBGJCEKV-JTQLQIEISA-N -1 3 344.321 3.722 20 0 EHADHM CC[C@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccc(OC)cc1 ZINC000820926618 606441811 /nfs/dbraw/zinc/44/18/11/606441811.db2.gz UBIFFVVYHMXFBG-HNNXBMFYSA-N -1 3 327.363 3.578 20 0 EHADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2c2ncccc2-c2nnn[n-]2)cc1 ZINC000822232199 606475868 /nfs/dbraw/zinc/47/58/68/606475868.db2.gz WNOHYNCXJNPMDY-YOEHRIQHSA-N -1 3 334.427 3.548 20 0 EHADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2c2ncccc2-c2nn[n-]n2)cc1 ZINC000822232199 606475870 /nfs/dbraw/zinc/47/58/70/606475870.db2.gz WNOHYNCXJNPMDY-YOEHRIQHSA-N -1 3 334.427 3.548 20 0 EHADHM CCCCC[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000821048614 606563103 /nfs/dbraw/zinc/56/31/03/606563103.db2.gz DMLUQILXHNFTFZ-MRXNPFEDSA-N -1 3 343.475 3.520 20 0 EHADHM CCCCC[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000821048614 606563105 /nfs/dbraw/zinc/56/31/05/606563105.db2.gz DMLUQILXHNFTFZ-MRXNPFEDSA-N -1 3 343.475 3.520 20 0 EHADHM c1sc(C2CCCCC2)nc1CNc1cccc(-c2nnn[n-]2)c1 ZINC000823757556 606656927 /nfs/dbraw/zinc/65/69/27/606656927.db2.gz RPXWFZVOVHSGDE-UHFFFAOYSA-N -1 3 340.456 3.983 20 0 EHADHM c1sc(C2CCCCC2)nc1CNc1cccc(-c2nn[n-]n2)c1 ZINC000823757556 606656928 /nfs/dbraw/zinc/65/69/28/606656928.db2.gz RPXWFZVOVHSGDE-UHFFFAOYSA-N -1 3 340.456 3.983 20 0 EHADHM C[C@H](NC(=O)c1ccc2sccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820398033 606734469 /nfs/dbraw/zinc/73/44/69/606734469.db2.gz ZUUJXKZHPBLNDY-NSHDSACASA-N -1 3 349.419 3.572 20 0 EHADHM C[C@H](NC(=O)c1ccc2sccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820398033 606734470 /nfs/dbraw/zinc/73/44/70/606734470.db2.gz ZUUJXKZHPBLNDY-NSHDSACASA-N -1 3 349.419 3.572 20 0 EHADHM CCCC[C@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)C1CCC1 ZINC000821044320 606764523 /nfs/dbraw/zinc/76/45/23/606764523.db2.gz YWTPJYOBIQVGEU-AWEZNQCLSA-N -1 3 344.488 3.512 20 0 EHADHM CCCC[C@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)C1CCC1 ZINC000821044320 606764525 /nfs/dbraw/zinc/76/45/25/606764525.db2.gz YWTPJYOBIQVGEU-AWEZNQCLSA-N -1 3 344.488 3.512 20 0 EHADHM CCOc1ccc(CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000821422563 606828580 /nfs/dbraw/zinc/82/85/80/606828580.db2.gz ZUHQXEMLKJYGNU-GFCCVEGCSA-N -1 3 341.440 3.655 20 0 EHADHM CCOc1ccc(CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000821422563 606828582 /nfs/dbraw/zinc/82/85/82/606828582.db2.gz ZUHQXEMLKJYGNU-GFCCVEGCSA-N -1 3 341.440 3.655 20 0 EHADHM Fc1cc(NCC2CC2)ccc1Oc1ccccc1-c1nnn[n-]1 ZINC000822754259 606866356 /nfs/dbraw/zinc/86/63/56/606866356.db2.gz XVASTPYJJCJQGP-UHFFFAOYSA-N -1 3 325.347 3.620 20 0 EHADHM Fc1cc(NCC2CC2)ccc1Oc1ccccc1-c1nn[n-]n1 ZINC000822754259 606866358 /nfs/dbraw/zinc/86/63/58/606866358.db2.gz XVASTPYJJCJQGP-UHFFFAOYSA-N -1 3 325.347 3.620 20 0 EHADHM CCCCOc1cccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000821077403 606926741 /nfs/dbraw/zinc/92/67/41/606926741.db2.gz DSQODSJKIDIAPU-UHFFFAOYSA-N -1 3 341.390 3.797 20 0 EHADHM CCCCOc1cccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000821077403 606926743 /nfs/dbraw/zinc/92/67/43/606926743.db2.gz DSQODSJKIDIAPU-UHFFFAOYSA-N -1 3 341.390 3.797 20 0 EHADHM CS[C@@H]1CC[C@H](Nc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C1 ZINC000821950543 606940556 /nfs/dbraw/zinc/94/05/56/606940556.db2.gz OMSBRXJIRPWQOS-VHSXEESVSA-N -1 3 343.378 3.582 20 0 EHADHM CS[C@@H]1CC[C@H](Nc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000821950543 606940558 /nfs/dbraw/zinc/94/05/58/606940558.db2.gz OMSBRXJIRPWQOS-VHSXEESVSA-N -1 3 343.378 3.582 20 0 EHADHM C[C@H]1CCC[C@@H](CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000820696897 606962264 /nfs/dbraw/zinc/96/22/64/606962264.db2.gz CVASKIAWZKFHAW-NWDGAFQWSA-N -1 3 347.850 3.699 20 0 EHADHM C[C@H]1CCC[C@@H](CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000820696897 606962266 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CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc(Cl)ccc2C)s1 ZINC000825693980 607794747 /nfs/dbraw/zinc/79/47/47/607794747.db2.gz JMUFPUCNFRZTAP-UHFFFAOYSA-N -1 3 347.831 3.705 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)CCC(C)(C)c1ccccc1 ZINC000826277936 607818029 /nfs/dbraw/zinc/81/80/29/607818029.db2.gz MMNOXVZMDCHNED-UHFFFAOYSA-N -1 3 349.438 3.872 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)CCC(C)(C)c1ccccc1 ZINC000826277936 607818030 /nfs/dbraw/zinc/81/80/30/607818030.db2.gz MMNOXVZMDCHNED-UHFFFAOYSA-N -1 3 349.438 3.872 20 0 EHADHM Cc1ccccc1C(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826306139 608207462 /nfs/dbraw/zinc/20/74/62/608207462.db2.gz RCEANGUIHSGQIL-UHFFFAOYSA-N -1 3 344.827 3.804 20 0 EHADHM Cc1ccccc1C(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826306139 608207464 /nfs/dbraw/zinc/20/74/64/608207464.db2.gz RCEANGUIHSGQIL-UHFFFAOYSA-N -1 3 344.827 3.804 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H](C)c2cccc(OC(C)C)c2)n1 ZINC000826275165 608275790 /nfs/dbraw/zinc/27/57/90/608275790.db2.gz QYMDTESITMQVBJ-CYBMUJFWSA-N -1 3 338.415 3.530 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H](C)c2cccc(OC(C)C)c2)n1 ZINC000826275165 608275791 /nfs/dbraw/zinc/27/57/91/608275791.db2.gz QYMDTESITMQVBJ-CYBMUJFWSA-N -1 3 338.415 3.530 20 0 EHADHM COc1ccc(CSCc2cccc(-c3nnn[n-]3)c2F)cc1F ZINC000826208099 608404087 /nfs/dbraw/zinc/40/40/87/608404087.db2.gz SQJDUURVCZNLNY-UHFFFAOYSA-N -1 3 348.378 3.587 20 0 EHADHM COc1ccc(CSCc2cccc(-c3nn[n-]n3)c2F)cc1F ZINC000826208099 608404088 /nfs/dbraw/zinc/40/40/88/608404088.db2.gz SQJDUURVCZNLNY-UHFFFAOYSA-N -1 3 348.378 3.587 20 0 EHADHM Cc1nc(CCS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826326055 608477240 /nfs/dbraw/zinc/47/72/40/608477240.db2.gz XPHWPAKPANILBM-JTQLQIEISA-N -1 3 331.470 3.669 20 0 EHADHM Cc1nc(CCS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000826326055 608477241 /nfs/dbraw/zinc/47/72/41/608477241.db2.gz XPHWPAKPANILBM-JTQLQIEISA-N -1 3 331.470 3.669 20 0 EHADHM O=C(Nc1ccc2ccccc2c1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826456086 608572415 /nfs/dbraw/zinc/57/24/15/608572415.db2.gz PJCWZWNDAXQZOK-UHFFFAOYSA-N -1 3 349.781 3.926 20 0 EHADHM O=C(Nc1ccc2ccccc2c1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826456086 608572416 /nfs/dbraw/zinc/57/24/16/608572416.db2.gz PJCWZWNDAXQZOK-UHFFFAOYSA-N -1 3 349.781 3.926 20 0 EHADHM Clc1ccc([C@H]2CCN2Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000826351415 608728933 /nfs/dbraw/zinc/72/89/33/608728933.db2.gz LTROAVGSCMUWEE-CQSZACIVSA-N -1 3 331.832 3.529 20 0 EHADHM Clc1ccc([C@H]2CCN2Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000826351415 608728934 /nfs/dbraw/zinc/72/89/34/608728934.db2.gz LTROAVGSCMUWEE-CQSZACIVSA-N -1 3 331.832 3.529 20 0 EHADHM Fc1ccc(CNc2cccc(-c3nnn[n-]3)c2)c(C(F)(F)F)c1 ZINC000378917256 608867593 /nfs/dbraw/zinc/86/75/93/608867593.db2.gz MVEKRBOBZXVQQF-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Fc1ccc(CNc2cccc(-c3nn[n-]n3)c2)c(C(F)(F)F)c1 ZINC000378917256 608867594 /nfs/dbraw/zinc/86/75/94/608867594.db2.gz MVEKRBOBZXVQQF-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM COc1ccc2ccccc2c1CNc1cccc(-c2nnn[n-]2)c1 ZINC000378925008 608869504 /nfs/dbraw/zinc/86/95/04/608869504.db2.gz RZPSCXAQKUGSOQ-UHFFFAOYSA-N -1 3 331.379 3.641 20 0 EHADHM COc1ccc2ccccc2c1CNc1cccc(-c2nn[n-]n2)c1 ZINC000378925008 608869505 /nfs/dbraw/zinc/86/95/05/608869505.db2.gz RZPSCXAQKUGSOQ-UHFFFAOYSA-N -1 3 331.379 3.641 20 0 EHADHM Cc1cc(N2CCCC2)ccc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826269466 609158610 /nfs/dbraw/zinc/15/86/10/609158610.db2.gz MYKPNIHXLXJUKY-OAHLLOKOSA-N -1 3 348.454 3.948 20 0 EHADHM CCOc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000825653654 609164549 /nfs/dbraw/zinc/16/45/49/609164549.db2.gz HGOFUFRASMGEFA-NSHDSACASA-N -1 3 327.363 3.578 20 0 EHADHM CCOc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000825653654 609164551 /nfs/dbraw/zinc/16/45/51/609164551.db2.gz HGOFUFRASMGEFA-NSHDSACASA-N -1 3 327.363 3.578 20 0 EHADHM COc1c(Cl)cccc1N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826167006 609247682 /nfs/dbraw/zinc/24/76/82/609247682.db2.gz LWZTWTMEHILKHV-JTQLQIEISA-N -1 3 329.791 3.702 20 0 EHADHM COc1c(Cl)cccc1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826167006 609247684 /nfs/dbraw/zinc/24/76/84/609247684.db2.gz LWZTWTMEHILKHV-JTQLQIEISA-N -1 3 329.791 3.702 20 0 EHADHM C[C@H](Nc1ccccc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000824662155 609271357 /nfs/dbraw/zinc/27/13/57/609271357.db2.gz DUEAFDVRJUFBAZ-JTQLQIEISA-N -1 3 344.216 3.802 20 0 EHADHM C[C@H](Nc1ccccc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000824662155 609271359 /nfs/dbraw/zinc/27/13/59/609271359.db2.gz DUEAFDVRJUFBAZ-JTQLQIEISA-N -1 3 344.216 3.802 20 0 EHADHM COc1ccc(C)cc1N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826189900 609272859 /nfs/dbraw/zinc/27/28/59/609272859.db2.gz IPMOWYAKNOUNDO-INIZCTEOSA-N -1 3 335.411 3.673 20 0 EHADHM COc1ccc(C)cc1N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826189900 609272861 /nfs/dbraw/zinc/27/28/61/609272861.db2.gz IPMOWYAKNOUNDO-INIZCTEOSA-N -1 3 335.411 3.673 20 0 EHADHM C[C@H](N[C@H]1CSc2ccccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000824554963 609335718 /nfs/dbraw/zinc/33/57/18/609335718.db2.gz UBZSDIPNVDMWEF-BONVTDFDSA-N -1 3 341.415 3.503 20 0 EHADHM CCCOc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000825341754 609348035 /nfs/dbraw/zinc/34/80/35/609348035.db2.gz JNWZUNJRSZHJMF-GFCCVEGCSA-N -1 3 341.390 3.968 20 0 EHADHM CCCOc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000825341754 609348037 /nfs/dbraw/zinc/34/80/37/609348037.db2.gz JNWZUNJRSZHJMF-GFCCVEGCSA-N -1 3 341.390 3.968 20 0 EHADHM C[C@@H](Nc1ccc2c(c1)CCCO2)c1ccc(-c2nnn[n-]2)cc1F ZINC000824658084 609349353 /nfs/dbraw/zinc/34/93/53/609349353.db2.gz VDBIZYIKIRWYJH-LLVKDONJSA-N -1 3 339.374 3.504 20 0 EHADHM C[C@@H](Nc1ccc2c(c1)CCCO2)c1ccc(-c2nn[n-]n2)cc1F ZINC000824658084 609349356 /nfs/dbraw/zinc/34/93/56/609349356.db2.gz VDBIZYIKIRWYJH-LLVKDONJSA-N -1 3 339.374 3.504 20 0 EHADHM CCN(C(=O)[C@@H]1CCC(C)(C)C1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367418 609397437 /nfs/dbraw/zinc/39/74/37/609397437.db2.gz PSYLRACNLCGGDS-LLVKDONJSA-N -1 3 347.850 3.699 20 0 EHADHM CCN(C(=O)[C@@H]1CCC(C)(C)C1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367418 609397438 /nfs/dbraw/zinc/39/74/38/609397438.db2.gz PSYLRACNLCGGDS-LLVKDONJSA-N -1 3 347.850 3.699 20 0 EHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(F)(F)F ZINC000824757424 609450490 /nfs/dbraw/zinc/45/04/90/609450490.db2.gz WJVAFJBJAVKGCO-RXMQYKEDSA-N -1 3 342.268 3.928 20 0 EHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(F)(F)F ZINC000824757424 609450492 /nfs/dbraw/zinc/45/04/92/609450492.db2.gz WJVAFJBJAVKGCO-RXMQYKEDSA-N -1 3 342.268 3.928 20 0 EHADHM CC(C)Oc1cc(F)ccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000824319041 609480362 /nfs/dbraw/zinc/48/03/62/609480362.db2.gz CTBSOOVRKPPRRB-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM CC(C)Oc1cc(F)ccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000824319041 609480364 /nfs/dbraw/zinc/48/03/64/609480364.db2.gz CTBSOOVRKPPRRB-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM Cc1ccnc(N[C@@H](c2ccc(Cl)cc2)C2CC2)c1-c1nnn[n-]1 ZINC000826311935 609523121 /nfs/dbraw/zinc/52/31/21/609523121.db2.gz QYFOKXPUUBQJQO-OAHLLOKOSA-N -1 3 340.818 3.787 20 0 EHADHM Cc1ccnc(N[C@@H](c2ccc(Cl)cc2)C2CC2)c1-c1nn[n-]n1 ZINC000826311935 609523123 /nfs/dbraw/zinc/52/31/23/609523123.db2.gz QYFOKXPUUBQJQO-OAHLLOKOSA-N -1 3 340.818 3.787 20 0 EHADHM CC[C@H](Nc1ncc(Cl)c(C)c1-c1nnn[n-]1)c1nc(C)cs1 ZINC000825148754 609547682 /nfs/dbraw/zinc/54/76/82/609547682.db2.gz TURBUNHHJCWPLJ-JTQLQIEISA-N -1 3 349.851 3.552 20 0 EHADHM CC[C@H](Nc1ncc(Cl)c(C)c1-c1nn[n-]n1)c1nc(C)cs1 ZINC000825148754 609547683 /nfs/dbraw/zinc/54/76/83/609547683.db2.gz TURBUNHHJCWPLJ-JTQLQIEISA-N -1 3 349.851 3.552 20 0 EHADHM Cc1cccc(F)c1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000826298245 947863416 /nfs/dbraw/zinc/86/34/16/947863416.db2.gz KIQYRLGKWYUJJJ-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM Cc1cccc(F)c1NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000826298245 947863423 /nfs/dbraw/zinc/86/34/23/947863423.db2.gz KIQYRLGKWYUJJJ-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM C[C@@H]1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)c3ccsc32)[C@@H]1C ZINC001576156955 949467926 /nfs/dbraw/zinc/46/79/26/949467926.db2.gz YNZRDZNGFCTTGZ-GIPNMCIBSA-N -1 3 328.445 3.713 20 0 EHADHM C[C@@H]1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)c3ccsc32)[C@@H]1C ZINC001576156955 949467941 /nfs/dbraw/zinc/46/79/41/949467941.db2.gz YNZRDZNGFCTTGZ-GIPNMCIBSA-N -1 3 328.445 3.713 20 0 EHADHM O=C([O-])c1cccc(CN[C@@H]2c3ccccc3CC[C@H]2n2ccnc2)c1 ZINC001595244968 949511114 /nfs/dbraw/zinc/51/11/14/949511114.db2.gz JKCPOOFLPIKOKF-WOJBJXKFSA-N -1 3 347.418 3.600 20 0 EHADHM Cc1cc(Br)c(CN2C[C@@H](C(=O)[O-])CC[C@H]2C)s1 ZINC000263116326 950272581 /nfs/dbraw/zinc/27/25/81/950272581.db2.gz ZTOUJLOWQIDIBQ-SCZZXKLOSA-N -1 3 332.263 3.504 20 0 EHADHM O=C([O-])CC[C@H]1CCCN(Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC001595019554 951313628 /nfs/dbraw/zinc/31/36/28/951313628.db2.gz SXGSLSLQZXYUOH-GFCCVEGCSA-N -1 3 334.366 3.590 20 0 EHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000382594429 971826361 /nfs/dbraw/zinc/82/63/61/971826361.db2.gz JESVREQANBYEIZ-HNNXBMFYSA-N -1 3 342.439 3.635 20 0 EHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(OCc2ccccc2)CC1 ZINC000383655240 971885148 /nfs/dbraw/zinc/88/51/48/971885148.db2.gz LQQLSNNRUGIELQ-CQSZACIVSA-N -1 3 329.396 3.720 20 0 EHADHM CC(C)[C@@H]1N(Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)CC12CCC2 ZINC001603002686 972048425 /nfs/dbraw/zinc/04/84/25/972048425.db2.gz FHCFWPXGKYCFLO-YJBOKZPZSA-N -1 3 346.471 3.591 20 0 EHADHM COc1ccc(CNCc2cccc(C(=O)[O-])c2)c(C(F)(F)F)c1 ZINC001594095862 958400417 /nfs/dbraw/zinc/40/04/17/958400417.db2.gz GOBWSGBCXYNOMX-UHFFFAOYSA-N -1 3 339.313 3.702 20 0 EHADHM Cc1cccc([C@H](NCc2ccc(OC(F)F)c(F)c2)C(=O)[O-])c1 ZINC001594396768 958772376 /nfs/dbraw/zinc/77/23/76/958772376.db2.gz BVSYRQHJIVPJDX-HNNXBMFYSA-N -1 3 339.313 3.651 20 0 EHADHM C[C@](NCc1cc(F)cc(C(F)(F)F)c1)(C(=O)[O-])c1ccccc1 ZINC001331925643 961413640 /nfs/dbraw/zinc/41/36/40/961413640.db2.gz WOJGHROIWCBKPC-MRXNPFEDSA-N -1 3 341.304 3.934 20 0 EHADHM O=C([O-])c1cccc(CN[C@H](c2ccccc2)C2(CO)CCCC2)c1 ZINC000263393395 962556025 /nfs/dbraw/zinc/55/60/25/962556025.db2.gz FWPRSJLVZWEYHO-LJQANCHMSA-N -1 3 339.435 3.768 20 0 EHADHM CCc1nc2cc(CNCc3cccc(C(=O)[O-])c3)ccc2n1C1CC1 ZINC000263416754 962585296 /nfs/dbraw/zinc/58/52/96/962585296.db2.gz NLTXSBNILSDIOW-UHFFFAOYSA-N -1 3 349.434 3.922 20 0 EHADHM CC(C)CN1CCC[C@@H]1C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001520174122 962829269 /nfs/dbraw/zinc/82/92/69/962829269.db2.gz NWIUVYFHUKMVOZ-GOSISDBHSA-N -1 3 340.423 3.597 20 0 EHADHM O=C([O-])CCCCNCc1oc2ccccc2c1Br ZINC000653504295 968670580 /nfs/dbraw/zinc/67/05/80/968670580.db2.gz ONTPWCFGXSHVPE-UHFFFAOYSA-N -1 3 326.190 3.540 20 0 EHADHM COC[C@@H](Cc1ccccc1)N(C)Cc1cccc(C(=O)[O-])c1Cl ZINC000516656744 974308528 /nfs/dbraw/zinc/30/85/28/974308528.db2.gz NPWXDOKPUMFUDA-MRXNPFEDSA-N -1 3 347.842 3.728 20 0 EHADHM O=C([O-])c1cc(CN2CCC(COc3ccccc3)CC2)cs1 ZINC000565544004 974583619 /nfs/dbraw/zinc/58/36/19/974583619.db2.gz PRKQVFQWPUXIOP-UHFFFAOYSA-N -1 3 331.437 3.737 20 0 EHADHM CCc1ccc(-c2nc(CN3CC[C@@H](C(=O)[O-])[C@@H]3C)cs2)cc1 ZINC000566366411 974610627 /nfs/dbraw/zinc/61/06/27/974610627.db2.gz AYTSKGTWQHQKBZ-BLLLJJGKSA-N -1 3 330.453 3.668 20 0 EHADHM Cn1cc(-c2ccccc2CNCc2cccc([O-])c2Cl)cn1 ZINC000339325380 1014218409 /nfs/dbraw/zinc/21/84/09/1014218409.db2.gz LFEOSBNLROHMBK-UHFFFAOYSA-N -1 3 327.815 3.736 20 0 EHADHM O=C([O-])c1ccc(CN2CCC([C@H]3CCCCO3)CC2)cc1Cl ZINC000656768498 975702899 /nfs/dbraw/zinc/70/28/99/975702899.db2.gz KCGJRDREFQRTNW-QGZVFWFLSA-N -1 3 337.847 3.819 20 0 EHADHM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1CC[C@]2(C1)CCCOC2 ZINC000659797680 975886764 /nfs/dbraw/zinc/88/67/64/975886764.db2.gz PIJVVIQUIYZJLN-HOCLYGCPSA-N -1 3 344.238 3.622 20 0 EHADHM O=C([O-])CCC1CCN(Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000665342488 975957227 /nfs/dbraw/zinc/95/72/27/975957227.db2.gz BJFLPYOEDNEJOR-UHFFFAOYSA-N -1 3 342.414 3.965 20 0 EHADHM CC(C)Oc1ccccc1[C@H](C)NCCOc1cccc(C(=O)[O-])c1 ZINC001591795886 976004744 /nfs/dbraw/zinc/00/47/44/976004744.db2.gz 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ZINC001595305334 980445201 /nfs/dbraw/zinc/44/52/01/980445201.db2.gz OGPLCEDAPBOQIB-NRFANRHFSA-N -1 3 349.434 3.660 20 0 EHADHM CC[C@H](NCc1ccccc1CC(=O)[O-])c1cc(C)ccc1OC ZINC001595305814 980451637 /nfs/dbraw/zinc/45/16/37/980451637.db2.gz XPKOYOVUUUYUJM-SFHVURJKSA-N -1 3 327.424 3.872 20 0 EHADHM COc1ccc([C@@H](NCc2csc(C)c2)C(=O)[O-])cc1Cl ZINC000901847033 980570325 /nfs/dbraw/zinc/57/03/25/980570325.db2.gz FNZFFMQVYNMXNO-CQSZACIVSA-N -1 3 325.817 3.634 20 0 EHADHM CC[C@](NCc1cn(C(C)C)nc1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000901873691 980588119 /nfs/dbraw/zinc/58/81/19/980588119.db2.gz UIBJNMMVGXXHMT-GOSISDBHSA-N -1 3 349.862 3.906 20 0 EHADHM C[C@H](CN[C@@H](C)c1ncc(C(=O)[O-])s1)c1cc(F)cc(F)c1 ZINC000901909341 980622404 /nfs/dbraw/zinc/62/24/04/980622404.db2.gz YNSQNLHMJXQTCI-BDAKNGLRSA-N -1 3 326.368 3.574 20 0 EHADHM Cc1cc(CN[C@@H](C[C@H]2CCOC2)c2ccccc2)oc1C(=O)[O-] ZINC000902352370 980846028 /nfs/dbraw/zinc/84/60/28/980846028.db2.gz WZUGPFRWQAGWAY-PBHICJAKSA-N -1 3 329.396 3.544 20 0 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O=C(N[C@@H](c1ccco1)c1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000377411088 1017767339 /nfs/dbraw/zinc/76/73/39/1017767339.db2.gz GKEJVVOVSJGAAW-HXUWFJFHSA-N -1 3 344.370 3.641 20 0 EHADHM CCCCCCC(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000122508609 1017948070 /nfs/dbraw/zinc/94/80/70/1017948070.db2.gz MLNNFUPVFUUGEW-UHFFFAOYSA-N -1 3 327.428 3.908 20 0 EHADHM CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163761181 1018043206 /nfs/dbraw/zinc/04/32/06/1018043206.db2.gz OQIILNFNDPWDQR-UHFFFAOYSA-N -1 3 342.823 3.978 20 0 EHADHM O=C(c1c([O-])cccc1O)N1CC=C(c2ccccc2Cl)CC1 ZINC000092127160 1032768141 /nfs/dbraw/zinc/76/81/41/1032768141.db2.gz GPNKWQWUZGCTCE-UHFFFAOYSA-N -1 3 329.783 3.681 20 0 EHADHM CCc1cc2c(CN3CCC(F)(F)C[C@H]3C)cc(=O)oc2cc1[O-] ZINC000528769352 1032779405 /nfs/dbraw/zinc/77/94/05/1032779405.db2.gz MWRQFIFUNMUTRS-LLVKDONJSA-N -1 3 337.366 3.681 20 0 EHADHM CSc1ccc([O-])c(C(=O)N2C[C@H](C)OC3(CCCCC3)C2)c1 ZINC000616720789 1018736863 /nfs/dbraw/zinc/73/68/63/1018736863.db2.gz UOBXDQMLEHIITN-ZDUSSCGKSA-N -1 3 335.469 3.678 20 0 EHADHM CC[C@]1(C)CCN(Cc2cc(Br)ccc2C(=O)[O-])C1 ZINC000580319656 1019014725 /nfs/dbraw/zinc/01/47/25/1019014725.db2.gz STEGHZFEISMPAN-OAHLLOKOSA-N -1 3 326.234 3.769 20 0 EHADHM Cc1nc([N-]C(=O)c2scnc2C(C)(C)C)nn1-c1ccccc1 ZINC000891270946 1019253412 /nfs/dbraw/zinc/25/34/12/1019253412.db2.gz YAHVFPPJWFBBOH-UHFFFAOYSA-N -1 3 341.440 3.582 20 0 EHADHM CN(C(=O)NCc1ccc([O-])c(F)c1)[C@H]1CCCc2ccccc21 ZINC000606719768 1032818809 /nfs/dbraw/zinc/81/88/09/1032818809.db2.gz JENDMAVZLAHXQR-KRWDZBQOSA-N -1 3 328.387 3.750 20 0 EHADHM COc1ccc2c(c1)OC[C@H]2CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000340682259 1019262143 /nfs/dbraw/zinc/26/21/43/1019262143.db2.gz LSEUJUMXNORAOH-SNVBAGLBSA-N -1 3 333.771 3.559 20 0 EHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCCC[C@H]1Cc1ccccc1 ZINC000606718696 1032819838 /nfs/dbraw/zinc/81/98/38/1032819838.db2.gz VEJXYHGURUTJOJ-KRWDZBQOSA-N -1 3 342.414 3.838 20 0 EHADHM C[C@H](CCC[C@H](C)NCc1cc(F)ccc1Br)C(=O)[O-] ZINC000087678357 1019386302 /nfs/dbraw/zinc/38/63/02/1019386302.db2.gz UUOUBXQDMHOHFL-MNOVXSKESA-N -1 3 346.240 3.957 20 0 EHADHM CO[C@H](CS(=O)(=O)[N-]c1cc(C(F)F)ccc1Cl)C(C)C ZINC000647128791 1019586905 /nfs/dbraw/zinc/58/69/05/1019586905.db2.gz OWGVGVFEVYAERQ-GFCCVEGCSA-N -1 3 341.807 3.690 20 0 EHADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)C1CCC(c2ccccc2)CC1 ZINC000079719331 1020040736 /nfs/dbraw/zinc/04/07/36/1020040736.db2.gz CUCQWCCFIVDIRR-UHFFFAOYSA-N -1 3 338.333 3.736 20 0 EHADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)C1CCC(c2ccccc2)CC1 ZINC000079719331 1020040747 /nfs/dbraw/zinc/04/07/47/1020040747.db2.gz CUCQWCCFIVDIRR-UHFFFAOYSA-N -1 3 338.333 3.736 20 0 EHADHM CCOc1cccc([C@H]2C[C@@H]2NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000345488223 1020313163 /nfs/dbraw/zinc/31/31/63/1020313163.db2.gz SFCUAVKBWOUSLW-PBHICJAKSA-N -1 3 331.799 3.730 20 0 EHADHM CSc1ccc([O-])c(C(=O)NCc2ccccc2COC(C)C)c1 ZINC001625868474 1020443090 /nfs/dbraw/zinc/44/30/90/1020443090.db2.gz BNRVFMQVTBTINR-UHFFFAOYSA-N -1 3 345.464 3.969 20 0 EHADHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000581256443 1020594480 /nfs/dbraw/zinc/59/44/80/1020594480.db2.gz ANSCKLZPEPCSRS-SFHVURJKSA-N -1 3 348.443 3.882 20 0 EHADHM CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c1[O-] ZINC000581267209 1020612365 /nfs/dbraw/zinc/61/23/65/1020612365.db2.gz XGTHCCJVHHCNCO-LBPRGKRZSA-N -1 3 347.798 3.963 20 0 EHADHM Cc1csc(-c2cccc(C(=O)Nc3nc(C)ccc3[O-])c2)n1 ZINC000345931753 1020620127 /nfs/dbraw/zinc/62/01/27/1020620127.db2.gz RDLCQONAAYXFSL-UHFFFAOYSA-N -1 3 325.393 3.780 20 0 EHADHM Cc1cc(CN2CCCC[C@@H]2CCC(=O)[O-])ccc1Br ZINC000091477032 1020833084 /nfs/dbraw/zinc/83/30/84/1020833084.db2.gz MTARTXZAQMTFCT-CQSZACIVSA-N -1 3 340.261 3.977 20 0 EHADHM C[C@@H](NC(=O)NCc1ncccc1[O-])c1ccc(C(C)(C)C)cc1 ZINC000471661473 1020965711 /nfs/dbraw/zinc/96/57/11/1020965711.db2.gz DGGIAWGKTXCHJB-CYBMUJFWSA-N -1 3 327.428 3.645 20 0 EHADHM COc1ccccc1CC(C)(C)C(=O)[N-]OCc1ccc(F)cc1 ZINC000754721140 1021207250 /nfs/dbraw/zinc/20/72/50/1021207250.db2.gz UGMOTSDTCRDLTD-UHFFFAOYSA-N -1 3 331.387 3.651 20 0 EHADHM CCc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)c([O-])c1 ZINC000436797973 1021242702 /nfs/dbraw/zinc/24/27/02/1021242702.db2.gz QAWYJBBSPGSENU-FQEVSTJZSA-N -1 3 332.403 3.869 20 0 EHADHM CCc1ccc(C(=O)Nc2cccc3c2OCC[C@@H]3OC)c([O-])c1 ZINC000436812338 1021257016 /nfs/dbraw/zinc/25/70/16/1021257016.db2.gz MFCLKYCTAAJQDD-KRWDZBQOSA-N -1 3 327.380 3.677 20 0 EHADHM CCO[C@H](C)c1nc(CN(C)C(=O)c2ccc(CC)cc2[O-])cs1 ZINC000436829936 1021263060 /nfs/dbraw/zinc/26/30/60/1021263060.db2.gz BWNOBYDDMALYFO-GFCCVEGCSA-N -1 3 348.468 3.781 20 0 EHADHM CCc1ccc(C(=O)N2C[C@@H](c3ccccc3C)OC[C@H]2C)c([O-])c1 ZINC000436831971 1021265268 /nfs/dbraw/zinc/26/52/68/1021265268.db2.gz IBYXBANCDXIIDU-QRWLVFNGSA-N -1 3 339.435 3.865 20 0 EHADHM O=c1ccnc(C(=Cc2cc(F)c(F)c(F)c2)Cc2ccccc2)[n-]1 ZINC000427290557 1021284284 /nfs/dbraw/zinc/28/42/84/1021284284.db2.gz ZVWSMGRSVMQRHD-ZROIWOOFSA-N -1 3 342.320 3.971 20 0 EHADHM COc1cccc(C(=O)Nc2ccc(Oc3cccnc3)cc2)c1[O-] ZINC000436847444 1021290798 /nfs/dbraw/zinc/29/07/98/1021290798.db2.gz KCOXGKVCWGZQJP-UHFFFAOYSA-N -1 3 336.347 3.840 20 0 EHADHM CCc1ccc(-c2nc(-c3cc(OC)cc(OC)c3)no2)c([O-])c1 ZINC000436871433 1021312947 /nfs/dbraw/zinc/31/29/47/1021312947.db2.gz SRTNFSLKBYHMCF-UHFFFAOYSA-N -1 3 326.352 3.689 20 0 EHADHM O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1ccccc1[O-] ZINC000436883402 1021336045 /nfs/dbraw/zinc/33/60/45/1021336045.db2.gz FMSCNIUGQANOID-HNNXBMFYSA-N -1 3 333.334 3.801 20 0 EHADHM CC(C)[C@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CCO1 ZINC000436887433 1021342241 /nfs/dbraw/zinc/34/22/41/1021342241.db2.gz JTRSQQOOHAWTJJ-LJQANCHMSA-N -1 3 341.407 3.682 20 0 EHADHM COc1cccc(-c2nc(-c3ccccc3OC(F)F)no2)c1[O-] ZINC000436896272 1021357623 /nfs/dbraw/zinc/35/76/23/1021357623.db2.gz YCAHRADNAYFKKZ-UHFFFAOYSA-N -1 3 334.278 3.719 20 0 EHADHM Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)c([O-])c1 ZINC000436914390 1021371569 /nfs/dbraw/zinc/37/15/69/1021371569.db2.gz LGIHSVUHXOMJTM-LSDHHAIUSA-N -1 3 333.334 3.588 20 0 EHADHM COc1ccc(C(=O)N2CCc3c(cccc3C(C)C)C2)c([O-])c1 ZINC000436991631 1021449447 /nfs/dbraw/zinc/44/94/47/1021449447.db2.gz WGFAMKJLUMOOHG-UHFFFAOYSA-N -1 3 325.408 3.723 20 0 EHADHM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cccc(Oc2ccccc2)c1 ZINC000607104183 1032988001 /nfs/dbraw/zinc/98/80/01/1032988001.db2.gz DWSWFYNWRGQJTK-SFHVURJKSA-N -1 3 347.436 3.790 20 0 EHADHM CC(=O)c1cccc(NC(=O)[C@H]2SCCc3ccccc32)c1[O-] ZINC000519662124 1021608127 /nfs/dbraw/zinc/60/81/27/1021608127.db2.gz NMIOQKUNXFEBBA-KRWDZBQOSA-N -1 3 327.405 3.564 20 0 EHADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3cc([O-])ccc3Cl)[nH][nH]2)c1 ZINC000518843827 1021624235 /nfs/dbraw/zinc/62/42/35/1021624235.db2.gz AUCRKAFNILJOPB-UHFFFAOYSA-N -1 3 341.798 3.727 20 0 EHADHM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1ccc(O)cc1[O-] ZINC000437310490 1021732109 /nfs/dbraw/zinc/73/21/09/1021732109.db2.gz SJFJDLVALWAAOA-GXTWGEPZSA-N -1 3 338.190 3.691 20 0 EHADHM COc1ccccc1CCN(C)Cc1c(Cl)cccc1C(=O)[O-] ZINC000516932337 1021867980 /nfs/dbraw/zinc/86/79/80/1021867980.db2.gz LCEQOMSUNKFKGS-UHFFFAOYSA-N -1 3 333.815 3.721 20 0 EHADHM C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1c(F)cncc1F ZINC000344126132 1033028265 /nfs/dbraw/zinc/02/82/65/1033028265.db2.gz ZXJZPIBNSXTPLC-JTQLQIEISA-N -1 3 328.318 3.710 20 0 EHADHM CSc1ccc([C@H](C)NC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000341497630 1022035814 /nfs/dbraw/zinc/03/58/14/1022035814.db2.gz PMVXIHSRLMOEFN-NSHDSACASA-N -1 3 334.416 3.814 20 0 EHADHM COc1ccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c([O-])c1 ZINC000440270586 1022058307 /nfs/dbraw/zinc/05/83/07/1022058307.db2.gz WQXVZCXOCKCOIY-UHFFFAOYSA-N -1 3 344.798 3.508 20 0 EHADHM CC[C@@H]1CCCN(Cc2nc3cc(C(=O)[O-])ccc3n2CC)CC1 ZINC000581889618 1022143487 /nfs/dbraw/zinc/14/34/87/1022143487.db2.gz FDUNIYBGKGTPOI-CQSZACIVSA-N -1 3 329.444 3.767 20 0 EHADHM CCC1(CC)[C@H](NC(=O)c2cc([O-])ccc2Cl)[C@@H](C)[C@H]1OC ZINC000517267392 1022200105 /nfs/dbraw/zinc/20/01/05/1022200105.db2.gz QAMKNWCYXBMSDD-VCTAVGKDSA-N -1 3 325.836 3.615 20 0 EHADHM O=S(=O)([N-]c1cccc(Cl)c1SCC(F)F)C1CC1 ZINC000135330913 1022239422 /nfs/dbraw/zinc/23/94/22/1022239422.db2.gz XJAQOECSMQLZCH-UHFFFAOYSA-N -1 3 327.805 3.601 20 0 EHADHM CC(C)Sc1ccc([C@H](C)NC(=O)NCc2ncccc2[O-])cc1 ZINC000471828878 1022458568 /nfs/dbraw/zinc/45/85/68/1022458568.db2.gz ZFPVYELLKJBUBP-ZDUSSCGKSA-N -1 3 345.468 3.848 20 0 EHADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@H]3C(C)C)cc2)cc(=O)[n-]1 ZINC000328875278 1022523652 /nfs/dbraw/zinc/52/36/52/1022523652.db2.gz ZLGXPXIYHGCSDE-KRWDZBQOSA-N -1 3 340.427 3.810 20 0 EHADHM Cc1cc(CN(C)C(=O)c2cc(Cc3ccccc3)ccc2[O-])no1 ZINC000101639397 1022605575 /nfs/dbraw/zinc/60/55/75/1022605575.db2.gz YXUDKKWLFHKHPD-UHFFFAOYSA-N -1 3 336.391 3.552 20 0 EHADHM C[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1cccc2ccccc21 ZINC000520441071 1022615664 /nfs/dbraw/zinc/61/56/64/1022615664.db2.gz HJQBZVOLRKQNBG-LBPRGKRZSA-N -1 3 333.391 3.704 20 0 EHADHM CCc1ccc(-c2noc([C@@H](C)NCc3cc([O-])cc(F)c3)n2)cc1 ZINC000276762084 1022693134 /nfs/dbraw/zinc/69/31/34/1022693134.db2.gz MXMYPVHJSYIKBP-GFCCVEGCSA-N -1 3 341.386 3.995 20 0 EHADHM COC(=O)c1c(F)ccc([N-]C(=O)c2cc(C(C)C)no2)c1Cl ZINC000894357622 1022769877 /nfs/dbraw/zinc/76/98/77/1022769877.db2.gz VSOGKDDFPZCQKR-UHFFFAOYSA-N -1 3 340.738 3.629 20 0 EHADHM CCc1ccc(C(=O)N(C)Cc2cc(OC)c(OC)cc2C)c([O-])c1 ZINC000188619057 1022868250 /nfs/dbraw/zinc/86/82/50/1022868250.db2.gz DFYDWFSBQCMVHW-UHFFFAOYSA-N -1 3 343.423 3.552 20 0 EHADHM CCc1ccc(-c2noc([C@H](C)NCc3nc(C)ccc3[O-])n2)cc1 ZINC000276786330 1022916998 /nfs/dbraw/zinc/91/69/98/1022916998.db2.gz RREQBCKOGOFYLD-ZDUSSCGKSA-N -1 3 338.411 3.559 20 0 EHADHM CCOCc1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2C)cc1 ZINC000438712237 1022944480 /nfs/dbraw/zinc/94/44/80/1022944480.db2.gz BAWUDAINFCWELI-UHFFFAOYSA-N -1 3 349.452 3.731 20 0 EHADHM CCCN(CC1CC1)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000520467849 1023034358 /nfs/dbraw/zinc/03/43/58/1023034358.db2.gz NKLRHPCIHIEMEG-UHFFFAOYSA-N -1 3 340.427 3.812 20 0 EHADHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(Cl)cc2C)c1 ZINC000426779664 1023041768 /nfs/dbraw/zinc/04/17/68/1023041768.db2.gz KBAVZCCCEDRTRX-KRWDZBQOSA-N -1 3 333.815 3.963 20 0 EHADHM O=C([O-])[C@H](NCc1ccc(Cl)c(Cl)c1)c1ccc(O)cc1 ZINC000426793017 1023049594 /nfs/dbraw/zinc/04/95/94/1023049594.db2.gz LRYGIOIRYMNJID-CQSZACIVSA-N -1 3 326.179 3.615 20 0 EHADHM COc1ccc(CN[C@H](C(=O)[O-])c2ccsc2)cc1OCC(C)C ZINC000426790282 1023050878 /nfs/dbraw/zinc/05/08/78/1023050878.db2.gz CHRVAVAJILCXPR-KRWDZBQOSA-N -1 3 349.452 3.707 20 0 EHADHM O=C([O-])[C@@H](NCc1ccc(OC(F)F)c(Cl)c1)c1ccsc1 ZINC000426795040 1023052078 /nfs/dbraw/zinc/05/20/78/1023052078.db2.gz WNTMSJTYFODYRZ-LBPRGKRZSA-N -1 3 347.770 3.918 20 0 EHADHM Cc1cc2[nH]c(CN[C@H](C(=O)[O-])c3cccc(F)c3)cc2c(C)c1 ZINC000426811157 1023061824 /nfs/dbraw/zinc/06/18/24/1023061824.db2.gz LFJUWAPPEZBQAX-SFHVURJKSA-N -1 3 326.371 3.839 20 0 EHADHM O=C([O-])C[C@H](NCc1cc2c(cccc2F)[nH]1)c1ccc(F)cc1 ZINC000426822049 1023068061 /nfs/dbraw/zinc/06/80/61/1023068061.db2.gz ZIAQPYATXSYHKP-KRWDZBQOSA-N -1 3 330.334 3.752 20 0 EHADHM O=C([O-])[C@@H](NCc1ccc(F)c(Br)c1)c1ccsc1 ZINC000426835027 1023081371 /nfs/dbraw/zinc/08/13/71/1023081371.db2.gz PQEDDJKTPRLCNI-LBPRGKRZSA-N -1 3 344.205 3.565 20 0 EHADHM O=S(=O)([N-]c1ccc(F)cc1Cl)c1cnc2ccccc2c1 ZINC000430984731 1023082973 /nfs/dbraw/zinc/08/29/73/1023082973.db2.gz GBBJZZJPLUKAIN-UHFFFAOYSA-N -1 3 336.775 3.828 20 0 EHADHM O=C(CCCc1ccc2ccccc2c1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473853038 1023153266 /nfs/dbraw/zinc/15/32/66/1023153266.db2.gz CTEPEZMCQFWCND-LJQANCHMSA-N -1 3 349.434 3.798 20 0 EHADHM O=c1[nH]c(-c2ccc([O-])cc2Cl)nc2cc(C(F)(F)F)ccc12 ZINC000190098321 1023165980 /nfs/dbraw/zinc/16/59/80/1023165980.db2.gz XTPXTOPWUGOZMV-UHFFFAOYSA-N -1 3 340.688 3.968 20 0 EHADHM Cc1nn(-c2ccccc2C)c(C)c1CN(C)Cc1ncccc1[O-] ZINC000518257580 1023168735 /nfs/dbraw/zinc/16/87/35/1023168735.db2.gz OBWHDRSBXGMCPZ-UHFFFAOYSA-N -1 3 336.439 3.530 20 0 EHADHM C[C@@H]1[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])CCN1c1ccccc1 ZINC000476311465 1033113606 /nfs/dbraw/zinc/11/36/06/1033113606.db2.gz DWLKQACKDVZUPY-DOMZBBRYSA-N -1 3 330.815 3.899 20 0 EHADHM C[C@H](C(=O)N=c1cc(-c2ccccc2)[n-][nH]1)c1ccc(F)c(F)c1 ZINC000439025668 1023215646 /nfs/dbraw/zinc/21/56/46/1023215646.db2.gz JGBWCXOETBQAJE-NSHDSACASA-N -1 3 327.334 3.519 20 0 EHADHM CCc1noc(C)c1[N-]C(=O)c1cc(Br)c(F)cc1F ZINC000190503528 1023218112 /nfs/dbraw/zinc/21/81/12/1023218112.db2.gz SPGQXKNSOINVFM-UHFFFAOYSA-N -1 3 345.143 3.838 20 0 EHADHM O=C(NCCc1cccc(O)c1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000439053094 1023243298 /nfs/dbraw/zinc/24/32/98/1023243298.db2.gz FTSPZOUJGIDJCJ-UHFFFAOYSA-N -1 3 347.414 3.661 20 0 EHADHM Cc1ccc(C(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)c([O-])c1 ZINC000439054043 1023244786 /nfs/dbraw/zinc/24/47/86/1023244786.db2.gz GNHZEZJIWNWNIR-CRAIPNDOSA-N -1 3 325.408 3.598 20 0 EHADHM COc1ccc(Cl)cc1NCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000536218299 1033134137 /nfs/dbraw/zinc/13/41/37/1033134137.db2.gz BFUMEDGNMDUHIB-UHFFFAOYSA-N -1 3 341.194 3.758 20 0 EHADHM O=C([O-])C[C@@H](NCc1ccc(OC(F)F)c(F)c1)c1ccsc1 ZINC000277000871 1023671161 /nfs/dbraw/zinc/67/11/61/1023671161.db2.gz LGHOEDWMPUKFRL-GFCCVEGCSA-N -1 3 345.342 3.794 20 0 EHADHM CN(CCc1cccc2ccccc21)C(=O)N=c1cc2ccccn2[n-]1 ZINC000569605318 1023994499 /nfs/dbraw/zinc/99/44/99/1023994499.db2.gz VPGNZGUODIEFFB-UHFFFAOYSA-N -1 3 344.418 3.616 20 0 EHADHM COc1cc2c(cc1OC)CCN(Cc1cccc([O-])c1Cl)CC2 ZINC000507784403 1024223288 /nfs/dbraw/zinc/22/32/88/1024223288.db2.gz KXGBNQAYPZONLB-UHFFFAOYSA-N -1 3 347.842 3.664 20 0 EHADHM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000909514277 1024271136 /nfs/dbraw/zinc/27/11/36/1024271136.db2.gz XLHHHZJAXVKUFT-SFHVURJKSA-N -1 3 344.455 3.737 20 0 EHADHM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)c1 ZINC000029046430 1024333385 /nfs/dbraw/zinc/33/33/85/1024333385.db2.gz UKMHXNMLJHBKOT-UHFFFAOYSA-N -1 3 347.436 3.725 20 0 EHADHM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000520679312 1024404042 /nfs/dbraw/zinc/40/40/42/1024404042.db2.gz UKWHWEQWUIAKBG-ZDUSSCGKSA-N -1 3 331.437 3.934 20 0 EHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OC)c2C)cc1 ZINC000029048405 1024434801 /nfs/dbraw/zinc/43/48/01/1024434801.db2.gz RXNAFZFXNDUXAZ-UHFFFAOYSA-N -1 3 349.452 3.902 20 0 EHADHM CCC[C@H](C)Sc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1 ZINC000657283214 1024555028 /nfs/dbraw/zinc/55/50/28/1024555028.db2.gz BNYLMWIARFEYRS-LBPRGKRZSA-N -1 3 328.441 3.861 20 0 EHADHM [O-]c1cccc(CN2CC[C@@H](c3nccs3)C2)c1Br ZINC000895584239 1024628523 /nfs/dbraw/zinc/62/85/23/1024628523.db2.gz RTJLAVXRYMIEHE-LLVKDONJSA-N -1 3 339.258 3.601 20 0 EHADHM Cc1onc(C2CC2)c1C(=O)Nc1ccc(Br)cc1[O-] ZINC000514652560 1024637726 /nfs/dbraw/zinc/63/77/26/1024637726.db2.gz SPVJCCQHDFLIEQ-UHFFFAOYSA-N -1 3 337.173 3.581 20 0 EHADHM COC(=O)c1ccc(-c2nc(-c3c(Cl)cccc3Cl)no2)[n-]1 ZINC000427648693 1024681985 /nfs/dbraw/zinc/68/19/85/1024681985.db2.gz QXJKRLIDBCRTBB-UHFFFAOYSA-N -1 3 338.150 3.825 20 0 EHADHM CCCCOc1ccc(C(=O)N(C)CCc2ncc(C)s2)c([O-])c1 ZINC000190863513 1024797385 /nfs/dbraw/zinc/79/73/85/1024797385.db2.gz MERHMSIIARLPCL-UHFFFAOYSA-N -1 3 348.468 3.651 20 0 EHADHM CSc1cccnc1[N-]C(=O)c1cc(C2CC2)nc2onc(C)c21 ZINC000652875993 1024885533 /nfs/dbraw/zinc/88/55/33/1024885533.db2.gz FKYFBNHBNWMYLJ-UHFFFAOYSA-N -1 3 340.408 3.778 20 0 EHADHM Cc1nc2ccccc2nc1CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000514925709 1024892847 /nfs/dbraw/zinc/89/28/47/1024892847.db2.gz JHGDPPFBNXVYHQ-UHFFFAOYSA-N -1 3 338.436 3.745 20 0 EHADHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1ccccn1 ZINC000435432617 1024903143 /nfs/dbraw/zinc/90/31/43/1024903143.db2.gz JSFCCCUAVCDMSE-MRVPVSSYSA-N -1 3 349.214 3.567 20 0 EHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nccn2-c2ccccc2C)n1 ZINC000346595157 1024906031 /nfs/dbraw/zinc/90/60/31/1024906031.db2.gz NHBRLIFINZGAPE-ZDUSSCGKSA-N -1 3 326.425 3.838 20 0 EHADHM Cc1cccc(C)c1NC(=O)CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000515049663 1024986137 /nfs/dbraw/zinc/98/61/37/1024986137.db2.gz RIAHTGHENLIVGE-UHFFFAOYSA-N -1 3 343.452 3.548 20 0 EHADHM CO[C@H]1CCC[C@H](CC(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000281407916 1025009956 /nfs/dbraw/zinc/00/99/56/1025009956.db2.gz ZXORJGXJTFHBDE-JQWIXIFHSA-N -1 3 342.233 3.689 20 0 EHADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)[C@@H]1SCCc2sccc21 ZINC000435672534 1025075993 /nfs/dbraw/zinc/07/59/93/1025075993.db2.gz JOXFKTJDRRGJDD-MRXNPFEDSA-N -1 3 341.461 3.529 20 0 EHADHM O=S(=O)(CCc1cccc(Cl)c1)[N-]c1cccc2ccncc21 ZINC000515343548 1025181428 /nfs/dbraw/zinc/18/14/28/1025181428.db2.gz WPNHUWRPAGHDLX-UHFFFAOYSA-N -1 3 346.839 3.873 20 0 EHADHM O=C(c1ccc(O)cc1[O-])N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000116137058 1025203237 /nfs/dbraw/zinc/20/32/37/1025203237.db2.gz JFCNNKUWULNALL-OAHLLOKOSA-N -1 3 349.839 3.682 20 0 EHADHM O=C([O-])C[C@@H]1CCCN(CCOc2ccc(Cl)cc2Cl)C1 ZINC000054299091 1025218638 /nfs/dbraw/zinc/21/86/38/1025218638.db2.gz POKLGOFWQRULGQ-NSHDSACASA-N -1 3 332.227 3.559 20 0 EHADHM CC[C@H](C)n1nc(C(=O)N=c2cc(C3(C)CCCC3)o[n-]2)cc1C ZINC000515592767 1025388135 /nfs/dbraw/zinc/38/81/35/1025388135.db2.gz VORSAJGXTQZFBW-LBPRGKRZSA-N -1 3 330.432 3.656 20 0 EHADHM CCCC[C@H](NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)C1CCC1 ZINC000896405678 1025410255 /nfs/dbraw/zinc/41/02/55/1025410255.db2.gz KJDQVBZCCHPBLH-INIZCTEOSA-N -1 3 348.393 3.895 20 0 EHADHM Cc1nc(C)c(CCC(=O)NCC[C@@H]2C[C@@H](C)CC(C)(C)C2)c(=O)[n-]1 ZINC000436238430 1025504281 /nfs/dbraw/zinc/50/42/81/1025504281.db2.gz KNPIYXCOKKJUQR-CZUORRHYSA-N -1 3 347.503 3.700 20 0 EHADHM CC1(C)CN(C(=O)Cc2ccc([O-])c(F)c2)CC[C@@H]1C(F)(F)F ZINC000451150838 1025604449 /nfs/dbraw/zinc/60/44/49/1025604449.db2.gz VPBMNICMTKDZKU-ZDUSSCGKSA-N -1 3 333.325 3.511 20 0 EHADHM CC(C)c1ccc(C(=O)N(C)Cc2cnc(C(C)C)nc2)c([O-])c1 ZINC000442961262 1025621159 /nfs/dbraw/zinc/62/11/59/1025621159.db2.gz DUEHUGBBIYZXAU-UHFFFAOYSA-N -1 3 327.428 3.701 20 0 EHADHM CCc1ccc(C(=O)N2CCCc3cc(OC)ccc3C2)c([O-])c1 ZINC000530331073 1025670129 /nfs/dbraw/zinc/67/01/29/1025670129.db2.gz NACAVOLQPPQOFR-UHFFFAOYSA-N -1 3 325.408 3.552 20 0 EHADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000436481697 1025757632 /nfs/dbraw/zinc/75/76/32/1025757632.db2.gz AWOBUYSIFCKFEV-NSHDSACASA-N -1 3 349.789 3.738 20 0 EHADHM C[C@@H]1[C@H](C)SCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436541008 1025872219 /nfs/dbraw/zinc/87/22/19/1025872219.db2.gz YQUITABCKRAGHJ-CABCVRRESA-N -1 3 341.476 3.949 20 0 EHADHM Cc1nc(-c2ccc(CNC(=O)c3ccc(C)cc3[O-])o2)cs1 ZINC000436561759 1025886493 /nfs/dbraw/zinc/88/64/93/1025886493.db2.gz HQBRDOVWMXTVQY-UHFFFAOYSA-N -1 3 328.393 3.656 20 0 EHADHM Cc1ccc(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)c([O-])c1C ZINC000436563720 1025891133 /nfs/dbraw/zinc/89/11/33/1025891133.db2.gz PURSOBBSINRPEJ-UHFFFAOYSA-N -1 3 340.423 3.790 20 0 EHADHM Cc1nc(C[N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)[nH]c1C ZINC000896907204 1025892258 /nfs/dbraw/zinc/89/22/58/1025892258.db2.gz JHCUSFMKVYEPST-UHFFFAOYSA-N -1 3 348.180 3.742 20 0 EHADHM CC[C@@H]1CO[C@H](C)CN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436592525 1025908227 /nfs/dbraw/zinc/90/82/27/1025908227.db2.gz WGBVVEOUUFYKDN-CRAIPNDOSA-N -1 3 339.435 3.623 20 0 EHADHM CC[C@H]1CO[C@@H](C)CN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436591766 1025908399 /nfs/dbraw/zinc/90/83/99/1025908399.db2.gz RJBTWVKIFKEWHZ-GJZGRUSLSA-N -1 3 341.407 3.824 20 0 EHADHM Cc1nc2ccccc2n1CCc1noc(-c2ccc(C)cc2[O-])n1 ZINC000436580904 1025920956 /nfs/dbraw/zinc/92/09/56/1025920956.db2.gz CRILBYFEWAGKNJ-UHFFFAOYSA-N -1 3 334.379 3.651 20 0 EHADHM CC(=O)c1ccc(C(=O)N[C@H](C)c2cccc(OC(C)C)c2)cc1[O-] ZINC000436581320 1025922710 /nfs/dbraw/zinc/92/27/10/1025922710.db2.gz ZPKQVOXFRJPXAT-CYBMUJFWSA-N -1 3 341.407 3.873 20 0 EHADHM CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000451400350 1025926679 /nfs/dbraw/zinc/92/66/79/1025926679.db2.gz AQENRQMJBCTBHH-SJLPKXTDSA-N -1 3 337.435 3.564 20 0 EHADHM C[C@@H]1CCCN(c2cc(C(=O)Nc3ccc(Cl)cc3[O-])ccn2)C1 ZINC000436629955 1025958271 /nfs/dbraw/zinc/95/82/71/1025958271.db2.gz YJONFIMAYPBGRC-GFCCVEGCSA-N -1 3 345.830 3.929 20 0 EHADHM C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000451444108 1025972995 /nfs/dbraw/zinc/97/29/95/1025972995.db2.gz HDFUYDDNHYWEGM-PBHICJAKSA-N -1 3 327.399 3.869 20 0 EHADHM C[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000436672089 1026012869 /nfs/dbraw/zinc/01/28/69/1026012869.db2.gz BOUJMXWXNGVZQD-VIFPVBQESA-N -1 3 325.286 3.608 20 0 EHADHM Cc1ccc(C(=O)NCc2cccc(COC(C)(C)C)c2)c([O-])c1 ZINC000436677688 1026024925 /nfs/dbraw/zinc/02/49/25/1026024925.db2.gz DIVYYDKAUCHKCX-UHFFFAOYSA-N -1 3 327.424 3.946 20 0 EHADHM CCN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000042186098 1026039570 /nfs/dbraw/zinc/03/95/70/1026039570.db2.gz WCRVHXVDMAVIKM-MRXNPFEDSA-N -1 3 332.787 3.641 20 0 EHADHM Cc1cc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)nn1C(F)F ZINC000436699861 1026056956 /nfs/dbraw/zinc/05/69/56/1026056956.db2.gz SZPZUPRCOOWCEP-UHFFFAOYSA-N -1 3 335.232 3.563 20 0 EHADHM CC[C@H](C[C@@H](C)CO)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436731541 1026123319 /nfs/dbraw/zinc/12/33/19/1026123319.db2.gz MAEZSISJAHIHGN-CRAIPNDOSA-N -1 3 341.451 3.510 20 0 EHADHM Cc1nn(C)c(C)c1NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436758070 1026128604 /nfs/dbraw/zinc/12/86/04/1026128604.db2.gz XLOCHKBLJVNVGT-UHFFFAOYSA-N -1 3 337.379 3.787 20 0 EHADHM COc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)c(OC)c1 ZINC000436748182 1026135167 /nfs/dbraw/zinc/13/51/67/1026135167.db2.gz REYNGGCMRVRHPE-UHFFFAOYSA-N -1 3 327.380 3.541 20 0 EHADHM CC(F)(F)CCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000451609764 1026135498 /nfs/dbraw/zinc/13/54/98/1026135498.db2.gz QXAMABRBGQBMHW-UHFFFAOYSA-N -1 3 332.199 3.707 20 0 EHADHM CCC[C@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)C1CCCCC1 ZINC000436771907 1026146685 /nfs/dbraw/zinc/14/66/85/1026146685.db2.gz YMTAACWJAJKLSS-HNNXBMFYSA-N -1 3 335.444 3.888 20 0 EHADHM O=C(Cc1ccccc1Cl)Nc1cc(Br)ccc1[O-] ZINC000530678362 1026212132 /nfs/dbraw/zinc/21/21/32/1026212132.db2.gz PLIGOWAJTBTJJS-UHFFFAOYSA-N -1 3 340.604 3.989 20 0 EHADHM O=C(c1ccc(O)cc1[O-])N(Cc1ccccc1)Cc1ccccc1 ZINC000192753844 1026335734 /nfs/dbraw/zinc/33/57/34/1026335734.db2.gz QHZOUYPTWXXWBK-UHFFFAOYSA-N -1 3 333.387 3.940 20 0 EHADHM Cc1cccc(C(=O)Nc2ccc(OCc3cccnc3)cc2)c1[O-] ZINC000728496720 1026683010 /nfs/dbraw/zinc/68/30/10/1026683010.db2.gz CDNWKGAUMPUVKF-UHFFFAOYSA-N -1 3 334.375 3.927 20 0 EHADHM O=C(COc1ccc(Cl)c(Cl)c1)Nc1cc(F)ccc1[O-] ZINC000531372546 1026856251 /nfs/dbraw/zinc/85/62/51/1026856251.db2.gz YJPOKOSGXDWGDU-UHFFFAOYSA-N -1 3 330.142 3.856 20 0 EHADHM O=C(CCc1ccc(F)cc1)Nc1cc(Br)ccc1[O-] ZINC000531393984 1026862190 /nfs/dbraw/zinc/86/21/90/1026862190.db2.gz RQDMAIOGYIMNKB-UHFFFAOYSA-N -1 3 338.176 3.865 20 0 EHADHM CCSc1nnc([N-]C(=O)c2cc(F)c(F)cc2Cl)s1 ZINC000006232389 1026864522 /nfs/dbraw/zinc/86/45/22/1026864522.db2.gz FZFQUEDGBXWQSM-UHFFFAOYSA-N -1 3 335.788 3.834 20 0 EHADHM COc1ccc([O-])c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c1 ZINC000320851910 1026901533 /nfs/dbraw/zinc/90/15/33/1026901533.db2.gz PKRZGMZGXBNZHN-UHFFFAOYSA-N -1 3 329.249 3.811 20 0 EHADHM Cc1nc2c(c(NCc3ccc([O-])c(Br)c3)n1)CCCC2 ZINC000302071079 1027043384 /nfs/dbraw/zinc/04/33/84/1027043384.db2.gz FGIOHCHIZJDANY-UHFFFAOYSA-N -1 3 348.244 3.744 20 0 EHADHM Cc1ccn2ncc(C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)c2c1 ZINC000501157894 1027091820 /nfs/dbraw/zinc/09/18/20/1027091820.db2.gz ZJYSGPYAZFZNSW-UHFFFAOYSA-N -1 3 335.285 3.619 20 0 EHADHM CO[C@@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@H]1C ZINC000452879989 1027091804 /nfs/dbraw/zinc/09/18/04/1027091804.db2.gz LVWVXUBIQDZJPZ-AUUYWEPGSA-N -1 3 341.407 3.682 20 0 EHADHM CCOc1cc(Sc2nnc([N-]c3ccccc3F)s2)ncn1 ZINC000302239715 1027104871 /nfs/dbraw/zinc/10/48/71/1027104871.db2.gz MMVIEIUBKHLDJQ-UHFFFAOYSA-N -1 3 349.416 3.761 20 0 EHADHM C[C@@H]1CCCC[C@@H]1CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000531762677 1027331406 /nfs/dbraw/zinc/33/14/06/1027331406.db2.gz HKOLNADFYYKVTL-DGCLKSJQSA-N -1 3 340.261 3.987 20 0 EHADHM O=c1cc(CN(Cc2ccc(F)cc2F)C2CC2)nc(C2CC2)[n-]1 ZINC000459292477 1027336920 /nfs/dbraw/zinc/33/69/20/1027336920.db2.gz 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1136043914 /nfs/dbraw/zinc/04/39/14/1136043914.db2.gz AIDSRRQUOZXTEV-UHFFFAOYSA-N -1 3 326.377 3.675 20 0 EHADHM CCOC(=O)c1nc(C2CC2)oc1[N-]C(=O)Nc1ccc(F)cc1 ZINC001202348481 1136127402 /nfs/dbraw/zinc/12/74/02/1136127402.db2.gz ZLRIJFMITWOXKX-UHFFFAOYSA-N -1 3 333.319 3.512 20 0 EHADHM O=C(CCCn1ccc2cc(Cl)ccc21)[N-]OC/C=C/Cl ZINC000812400323 1136201294 /nfs/dbraw/zinc/20/12/94/1136201294.db2.gz JTEJAZITFJDXGD-FARCUNLSSA-N -1 3 327.211 3.875 20 0 EHADHM C[C@@H](CC(=O)[N-]OC/C=C\Cl)c1ccc(Br)cc1 ZINC000812407202 1136209417 /nfs/dbraw/zinc/20/94/17/1136209417.db2.gz HGQIPNXHDCYVCH-ATRZURONSA-N -1 3 332.625 3.743 20 0 EHADHM CC(C)OCCO[N-]C(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC000812805688 1136254382 /nfs/dbraw/zinc/25/43/82/1136254382.db2.gz VZDQBSBAPMNSMJ-FQEVSTJZSA-N -1 3 341.451 3.876 20 0 EHADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H](O)c1ccc(Cl)cc1F ZINC000813493604 1136342610 /nfs/dbraw/zinc/34/26/10/1136342610.db2.gz GSXPQTSPNRVHFT-CYBMUJFWSA-N -1 3 330.142 3.510 20 0 EHADHM CCCc1nc(C)c(COC(=O)c2cc(-c3ccc(C)o3)[n-]n2)o1 ZINC000814078160 1136400956 /nfs/dbraw/zinc/40/09/56/1136400956.db2.gz KWCQGKDOORKWDP-UHFFFAOYSA-N -1 3 329.356 3.584 20 0 EHADHM CCCc1nc(C)c(COC(=O)c2cc(-c3ccc(C)o3)n[n-]2)o1 ZINC000814078160 1136400959 /nfs/dbraw/zinc/40/09/59/1136400959.db2.gz KWCQGKDOORKWDP-UHFFFAOYSA-N -1 3 329.356 3.584 20 0 EHADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cc(F)ccc1Cl ZINC000814509959 1136464019 /nfs/dbraw/zinc/46/40/19/1136464019.db2.gz NGFRYCIIPOJKHE-UHFFFAOYSA-N -1 3 348.717 3.592 20 0 EHADHM CCN(C(=O)c1cc([O-])ccc1Cl)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000854558760 1136625985 /nfs/dbraw/zinc/62/59/85/1136625985.db2.gz ANRKPCPGILIUMN-YVEFUNNKSA-N -1 3 333.815 3.630 20 0 EHADHM CCC(F)(F)C(=O)[N-][C@@H]1CCc2c1ccc(F)c2Br ZINC000854828500 1136646367 /nfs/dbraw/zinc/64/63/67/1136646367.db2.gz YCSBFQGPUDHJOG-SNVBAGLBSA-N -1 3 336.151 3.737 20 0 EHADHM CCOc1cccc([C@H](CC)OC(=O)c2c[n-]c(C(=O)OC)c2)c1 ZINC000815974606 1136655513 /nfs/dbraw/zinc/65/55/13/1136655513.db2.gz KZYGGFJDHPJZGG-INIZCTEOSA-N -1 3 331.368 3.508 20 0 EHADHM [O-]c1ccc(F)c(CNC[C@H](O)c2ccccc2C(F)(F)F)c1F ZINC000816543631 1136731781 /nfs/dbraw/zinc/73/17/81/1136731781.db2.gz ILHWXSOGLPFPGN-AWEZNQCLSA-N -1 3 347.283 3.512 20 0 EHADHM O=C(Nc1nc(-c2ccccc2)cs1)c1[n-]cnc1C(F)(F)F ZINC001135795379 1136771725 /nfs/dbraw/zinc/77/17/25/1136771725.db2.gz RWQCGDDVZKVBFA-UHFFFAOYSA-N -1 3 338.314 3.804 20 0 EHADHM O=C(Nc1nc(-c2ccccc2)cs1)c1nc[n-]c1C(F)(F)F ZINC001135795379 1136771728 /nfs/dbraw/zinc/77/17/28/1136771728.db2.gz RWQCGDDVZKVBFA-UHFFFAOYSA-N -1 3 338.314 3.804 20 0 EHADHM C[C@@H]([N-]C(=O)C(F)(F)C1(O)CCC1)c1ccc(Cl)cc1Cl ZINC000752898224 1136775674 /nfs/dbraw/zinc/77/56/74/1136775674.db2.gz CHXUZVHUGRPRKL-MRVPVSSYSA-N -1 3 338.181 3.721 20 0 EHADHM COc1ccc(C(F)(F)C(=O)[N-][C@@H](c2ccccc2)C(F)F)cc1 ZINC000817224484 1136784599 /nfs/dbraw/zinc/78/45/99/1136784599.db2.gz RBJPQIWYUFFVBC-AWEZNQCLSA-N -1 3 341.304 3.910 20 0 EHADHM Cc1cccc(COc2cccc(CC(=O)[N-]OCC3CC3)c2)c1 ZINC000817330505 1136798666 /nfs/dbraw/zinc/79/86/66/1136798666.db2.gz MICQOWNZFVQLDG-UHFFFAOYSA-N -1 3 325.408 3.574 20 0 EHADHM C/C=C\C[C@@H](CO)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817591981 1136827160 /nfs/dbraw/zinc/82/71/60/1136827160.db2.gz NZOHLXKVDLZHHD-ZMWSMAPVSA-N -1 3 338.181 3.529 20 0 EHADHM Nc1ccc(C(=O)N2CC3(CCCC3)c3c2cccc3F)c([O-])c1 ZINC000817932585 1136852782 /nfs/dbraw/zinc/85/27/82/1136852782.db2.gz UIRCJCCVDDMEQI-UHFFFAOYSA-N -1 3 326.371 3.586 20 0 EHADHM O=C(c1cc2sccc2c([O-])c1)N1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000818794924 1136889358 /nfs/dbraw/zinc/88/93/58/1136889358.db2.gz AKDKSYVVBWQRPR-KRWDZBQOSA-N -1 3 343.448 3.638 20 0 EHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000339007564 1136910161 /nfs/dbraw/zinc/91/01/61/1136910161.db2.gz QKQVBCDYWPWHAD-QWHCGFSZSA-N -1 3 345.782 3.559 20 0 EHADHM Cc1ccc(-n2ccnc2)c(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000339008742 1136924700 /nfs/dbraw/zinc/92/47/00/1136924700.db2.gz MYQVSJLYJKQVRS-UHFFFAOYSA-N -1 3 327.771 3.792 20 0 EHADHM COCc1sccc1C(=O)Nc1ccc(Br)cc1[O-] ZINC001136220200 1136942668 /nfs/dbraw/zinc/94/26/68/1136942668.db2.gz SZWPDMWVIUWAOX-UHFFFAOYSA-N -1 3 342.214 3.615 20 0 EHADHM O=C([N-]OCCC(F)(F)F)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC000819504114 1136946726 /nfs/dbraw/zinc/94/67/26/1136946726.db2.gz PTMDMIRXQOJBPU-QLEHZGMVSA-N -1 3 333.272 3.601 20 0 EHADHM CC[C@@H]1CCc2[nH]c(=O)c(C(=O)Nc3c([O-])cccc3Cl)cc2C1 ZINC000820557476 1136997407 /nfs/dbraw/zinc/99/74/07/1136997407.db2.gz FDDZUSWXPRDDQT-SNVBAGLBSA-N -1 3 346.814 3.913 20 0 EHADHM CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1cc2sccc2c([O-])c1 ZINC001136394199 1137010976 /nfs/dbraw/zinc/01/09/76/1137010976.db2.gz HTSWFQDTWDRXGB-MRXNPFEDSA-N -1 3 343.452 3.648 20 0 EHADHM O=S(=O)([N-]c1ccc(F)cc1F)c1ccc2onc(Cl)c2c1 ZINC000821119448 1137017534 /nfs/dbraw/zinc/01/75/34/1137017534.db2.gz QGZODBUSDILREJ-UHFFFAOYSA-N -1 3 344.726 3.560 20 0 EHADHM CCc1ccc(C(=O)NCc2cccc(OCC(F)F)c2)c([O-])c1 ZINC001136562281 1137053094 /nfs/dbraw/zinc/05/30/94/1137053094.db2.gz NOQQZVMIHCGENV-UHFFFAOYSA-N -1 3 335.350 3.529 20 0 EHADHM O=C([N-]O[C@@H]1CCCCO1)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC000822917387 1137079151 /nfs/dbraw/zinc/07/91/51/1137079151.db2.gz BMPDOWCFDWZIIL-OSAQELSMSA-N -1 3 327.783 3.547 20 0 EHADHM C[C@H]1CCC[C@H](C)N(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1 ZINC001136825346 1137125460 /nfs/dbraw/zinc/12/54/60/1137125460.db2.gz RGAMYOXSFJBAGG-RYUDHWBXSA-N -1 3 332.831 3.832 20 0 EHADHM C/C(=C/C1CCC(C)CC1)C(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000824150357 1137126743 /nfs/dbraw/zinc/12/67/43/1137126743.db2.gz HXHUDXGOSMGLDD-RAXLEYEMSA-N -1 3 331.460 3.615 20 0 EHADHM O=C([N-]CCCSCc1cccc2cccnc21)C(F)(F)F ZINC000863370964 1137183654 /nfs/dbraw/zinc/18/36/54/1137183654.db2.gz PBJDJXGJWKKNSD-UHFFFAOYSA-N -1 3 328.359 3.537 20 0 EHADHM C/C=C/C[C@@H](CO)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843856107 1137184716 /nfs/dbraw/zinc/18/47/16/1137184716.db2.gz HGBASADDJBPFKF-HPOULIHZSA-N -1 3 338.181 3.529 20 0 EHADHM CC[C@@H](C(=O)[O-])N(C)Cc1cc2ccc(SC)cc2nc1Cl ZINC000844839712 1137258917 /nfs/dbraw/zinc/25/89/17/1137258917.db2.gz SQCBHJIERLRSIH-AWEZNQCLSA-N -1 3 338.860 3.905 20 0 EHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@H]3C[C@H]3C3CCCC3)c2)n1 ZINC000845474467 1137295806 /nfs/dbraw/zinc/29/58/06/1137295806.db2.gz ACXOKXGYXXWIAJ-IRXDYDNUSA-N -1 3 338.407 3.889 20 0 EHADHM [O-]c1ccc(F)c(CN2CCC3(CC2)C(F)(F)C3(F)F)c1F ZINC000846015079 1137325976 /nfs/dbraw/zinc/32/59/76/1137325976.db2.gz KCVFPGVRGHONNN-UHFFFAOYSA-N -1 3 325.252 3.537 20 0 EHADHM CCn1cc(CN(C(=O)c2cc3sccc3c([O-])c2)C(C)C)cn1 ZINC000846478369 1137353321 /nfs/dbraw/zinc/35/33/21/1137353321.db2.gz OYARXBBCHBNQPL-UHFFFAOYSA-N -1 3 343.452 3.874 20 0 EHADHM CC[C@@H]1CCCN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)CC1 ZINC001146332145 1137388634 /nfs/dbraw/zinc/38/86/34/1137388634.db2.gz JAYOAJUOLHCDBI-GFCCVEGCSA-N -1 3 332.831 3.834 20 0 EHADHM Cc1sc([N-]C(=O)c2csnn2)c(C(=O)c2ccccc2)c1C ZINC001146811725 1137394761 /nfs/dbraw/zinc/39/47/61/1137394761.db2.gz 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3.857 20 0 EHADHM COc1cc2c(c(CNCc3ccc([O-])c(Cl)c3)c1)O[C@H](C)C2 ZINC000873179006 1137592741 /nfs/dbraw/zinc/59/27/41/1137592741.db2.gz JCNUDJOFWDOJRO-LLVKDONJSA-N -1 3 333.815 3.667 20 0 EHADHM O=C(CCCc1ccc([O-])c(F)c1)OCc1scnc1Cl ZINC000873380994 1137598648 /nfs/dbraw/zinc/59/86/48/1137598648.db2.gz UMTPSULTIPQFCQ-UHFFFAOYSA-N -1 3 329.780 3.707 20 0 EHADHM CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000874834432 1137624339 /nfs/dbraw/zinc/62/43/39/1137624339.db2.gz RXUVWIAQPCOJKV-IAGOWNOFSA-N -1 3 344.842 3.508 20 0 EHADHM Cc1cc(Br)c(C=C2SC(=O)[N-]C2=O)cc1Cl ZINC000874929673 1137626491 /nfs/dbraw/zinc/62/64/91/1137626491.db2.gz MAJVBFMVHHISBA-RUDMXATFSA-N -1 3 332.606 3.735 20 0 EHADHM Cc1cc(Br)cc2cc(C(=O)Nc3cncc([O-])c3)[nH]c21 ZINC001153962794 1137633059 /nfs/dbraw/zinc/63/30/59/1137633059.db2.gz IDWAWDDKBBGEHS-UHFFFAOYSA-N -1 3 346.184 3.592 20 0 EHADHM Cc1ccc(NC(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)c(C)c1 ZINC000021729899 1137656371 /nfs/dbraw/zinc/65/63/71/1137656371.db2.gz IROYNACABAOMGV-UHFFFAOYSA-N -1 3 341.194 3.734 20 0 EHADHM [O-]c1ccccc1-c1nnc(CN2CCC[C@@H]2c2ccsc2)o1 ZINC000877961307 1137697227 /nfs/dbraw/zinc/69/72/27/1137697227.db2.gz NSZLXYZFEYGTLK-CQSZACIVSA-N -1 3 327.409 3.841 20 0 EHADHM [O-]c1ccccc1-c1nnc(CN2CCC(c3ccsc3)CC2)o1 ZINC000878458331 1137716849 /nfs/dbraw/zinc/71/68/49/1137716849.db2.gz NGEVVMZEEYORCH-UHFFFAOYSA-N -1 3 341.436 3.883 20 0 EHADHM [O-]c1ccccc1-c1nnc(CN2CC[C@@](F)(c3ccccc3)C2)o1 ZINC000878565588 1137720392 /nfs/dbraw/zinc/72/03/92/1137720392.db2.gz QHCGULPKGVOSAL-IBGZPJMESA-N -1 3 339.370 3.513 20 0 EHADHM Cc1ccc(-c2nc(NC(=O)CC(C)(C)CC(F)(F)F)n[n-]2)o1 ZINC000879175016 1137740127 /nfs/dbraw/zinc/74/01/27/1137740127.db2.gz ANAKUZCJXMVWRB-UHFFFAOYSA-N -1 3 330.310 3.680 20 0 EHADHM CC1(C[N-]C(=O)C(F)(F)c2cc(F)cc(F)c2)CC(F)(F)C1 ZINC000881521425 1137808844 /nfs/dbraw/zinc/80/88/44/1137808844.db2.gz TUPVHMSNCVXYOV-UHFFFAOYSA-N -1 3 325.252 3.608 20 0 EHADHM CCc1cccc(C(=O)N2CCCC[C@H](C3CCOCC3)C2)c1[O-] ZINC000882912037 1137838088 /nfs/dbraw/zinc/83/80/88/1137838088.db2.gz JFSCPRGFCAZXHU-KRWDZBQOSA-N -1 3 331.456 3.624 20 0 EHADHM CC1(c2cccc(CNCc3cccc([O-])c3Cl)c2)OCCO1 ZINC000883128319 1137845630 /nfs/dbraw/zinc/84/56/30/1137845630.db2.gz BLXWBOGZLFFRKG-UHFFFAOYSA-N -1 3 333.815 3.555 20 0 EHADHM Cc1noc(C)c1CSCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000109091862 1137891076 /nfs/dbraw/zinc/89/10/76/1137891076.db2.gz BBRJNKZXHCOXEK-UHFFFAOYSA-N -1 3 326.805 3.522 20 0 EHADHM CC(=O)c1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)cc1[O-] ZINC000332380679 1137942179 /nfs/dbraw/zinc/94/21/79/1137942179.db2.gz GNLWAHWPYTWFIL-KSSFIOAISA-N -1 3 337.419 3.861 20 0 EHADHM Cc1ccc(C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)c([O-])c1 ZINC000120957448 1137953916 /nfs/dbraw/zinc/95/39/16/1137953916.db2.gz RROJVVZHXDGEAI-UHFFFAOYSA-N -1 3 326.396 3.856 20 0 EHADHM CC1(C)Cc2ccc(C(=O)Nc3scnc3C3CC3)c([O-])c2O1 ZINC000333057901 1137954151 /nfs/dbraw/zinc/95/41/51/1137954151.db2.gz MONKRQNXWUCRGP-UHFFFAOYSA-N -1 3 330.409 3.692 20 0 EHADHM COc1ccc([C@@H]2CCCN2C(=O)c2ccc(C)cc2[O-])cc1OC ZINC000121304746 1137956715 /nfs/dbraw/zinc/95/67/15/1137956715.db2.gz ABWFYKPWHSJSCU-INIZCTEOSA-N -1 3 341.407 3.695 20 0 EHADHM O=C(CCCc1ccc([O-])c(F)c1)N1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000885222638 1137989169 /nfs/dbraw/zinc/98/91/69/1137989169.db2.gz JBNCGTVINZHTLQ-SJLPKXTDSA-N -1 3 331.431 3.891 20 0 EHADHM CCN(C(=O)CCc1c(C)nc(C)[n-]c1=O)c1ccc2ccccc2c1 ZINC000064969649 1138072881 /nfs/dbraw/zinc/07/28/81/1138072881.db2.gz SEXQADSNYVEAAE-UHFFFAOYSA-N -1 3 349.434 3.526 20 0 EHADHM CC(C)Oc1cccc(CN(C)C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000125097726 1138301128 /nfs/dbraw/zinc/30/11/28/1138301128.db2.gz PFYLNPFTJRYMRX-UHFFFAOYSA-N -1 3 346.402 3.660 20 0 EHADHM CCN(CC)C(=O)c1ccc(Nc2nc3c(cccc3[O-])s2)cn1 ZINC001212819923 1138410452 /nfs/dbraw/zinc/41/04/52/1138410452.db2.gz VBDBQJJXHBNLSV-UHFFFAOYSA-N -1 3 342.424 3.623 20 0 EHADHM Cc1ccc(-c2nc(NC(=O)C[C@@H](C)c3ccc(F)cc3F)n[n-]2)o1 ZINC000337598419 1138617445 /nfs/dbraw/zinc/61/74/45/1138617445.db2.gz BZAVBRJOJZWWAU-SECBINFHSA-N -1 3 346.337 3.784 20 0 EHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)c3ccncc3F)nc2)n1 ZINC000337828770 1138677726 /nfs/dbraw/zinc/67/77/26/1138677726.db2.gz UVNMBBHKLIBMPI-LLVKDONJSA-N -1 3 339.374 3.514 20 0 EHADHM C[C@@H](c1ccco1)N(Cc1cc(=O)oc2cc([O-])ccc12)C1CC1 ZINC000182694980 1139986758 /nfs/dbraw/zinc/98/67/58/1139986758.db2.gz BBUGCNZURBTFQX-LBPRGKRZSA-N -1 3 325.364 3.817 20 0 EHADHM COc1ccc(N[C@H](C)c2ccc(C)cc2)cc1[N-]S(C)(=O)=O ZINC000182733261 1139988973 /nfs/dbraw/zinc/98/89/73/1139988973.db2.gz UBAVLGVKQLMEHS-CYBMUJFWSA-N -1 3 334.441 3.548 20 0 EHADHM CCc1cc(=O)[n-]c(CN[C@H](C)c2nc(-c3ccccc3)cs2)n1 ZINC000184520183 1140106755 /nfs/dbraw/zinc/10/67/55/1140106755.db2.gz PWXXVHNVGYLBAJ-GFCCVEGCSA-N -1 3 340.452 3.719 20 0 EHADHM Cc1ccc(C(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)c([O-])c1 ZINC000185966048 1140179531 /nfs/dbraw/zinc/17/95/31/1140179531.db2.gz HPKBEARNDGPDAZ-KRWDZBQOSA-N -1 3 331.799 3.568 20 0 EHADHM COc1cc(Cl)c(Cl)cc1NC([O-])=NO[C@H]1CCCCO1 ZINC000191280061 1140450374 /nfs/dbraw/zinc/45/03/74/1140450374.db2.gz WCGIHYCEQHMKQO-LBPRGKRZSA-N -1 3 335.187 3.582 20 0 EHADHM COc1cc(Cl)c(Cl)cc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000191280061 1140450378 /nfs/dbraw/zinc/45/03/78/1140450378.db2.gz WCGIHYCEQHMKQO-LBPRGKRZSA-N -1 3 335.187 3.582 20 0 EHADHM CC[C@H](N[C@@H](C)c1nc(C)cc(=O)[n-]1)c1ccccc1OC(F)F ZINC000192726372 1140547112 /nfs/dbraw/zinc/54/71/12/1140547112.db2.gz PSYFPQDGFWVBGI-AAEUAGOBSA-N -1 3 337.370 3.894 20 0 EHADHM Cc1ccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c([O-])c1 ZINC000194916444 1140625966 /nfs/dbraw/zinc/62/59/66/1140625966.db2.gz LHMNFYLDFJGFOW-UHFFFAOYSA-N -1 3 341.382 3.575 20 0 EHADHM CSc1nc(NC(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)n[n-]1 ZINC000266891155 1140735060 /nfs/dbraw/zinc/73/50/60/1140735060.db2.gz AQMOPQGNQQHYJA-LURJTMIESA-N -1 3 331.228 3.576 20 0 EHADHM C[C@H]1[C@@H](Cc2ccccc2)CCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000266907297 1140736412 /nfs/dbraw/zinc/73/64/12/1140736412.db2.gz BOIHIXROGNGQDJ-DZGCQCFKSA-N -1 3 339.464 3.850 20 0 EHADHM CC(C)c1ccc(C(=O)N2CCO[C@@H](c3ccsc3)C2)c([O-])c1 ZINC000268470067 1140943902 /nfs/dbraw/zinc/94/39/02/1140943902.db2.gz WLESJAGDOLNTTB-QGZVFWFLSA-N -1 3 331.437 3.791 20 0 EHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2CCC2CCCC2)c1 ZINC000270065766 1141174637 /nfs/dbraw/zinc/17/46/37/1141174637.db2.gz ROFDJIMYYSVAFV-QGZVFWFLSA-N -1 3 344.455 3.926 20 0 EHADHM COc1cc(C(=O)N(CCC(C)C)C2CCCC2)cc(OC)c1[O-] ZINC000270703219 1141259105 /nfs/dbraw/zinc/25/91/05/1141259105.db2.gz AFMSOXBDLAXHEW-UHFFFAOYSA-N -1 3 335.444 3.840 20 0 EHADHM COc1cc(C(=O)N2CC[C@@H]2c2ccc(Cl)cc2)cc(OC)c1[O-] ZINC000270799807 1141271420 /nfs/dbraw/zinc/27/14/20/1141271420.db2.gz LUEZHASEZROGFV-CQSZACIVSA-N -1 3 347.798 3.650 20 0 EHADHM O=C(NCc1ncccc1[O-])Nc1cccc(-c2cccs2)c1 ZINC000348787215 1141579764 /nfs/dbraw/zinc/57/97/64/1141579764.db2.gz QEFXQPXHAOUQSV-UHFFFAOYSA-N -1 3 325.393 3.837 20 0 EHADHM CC(C)[C@H](C)CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000735701013 598836876 /nfs/dbraw/zinc/83/68/76/598836876.db2.gz JFXPNWBDEQCUQA-CQSZACIVSA-N -1 3 349.438 3.556 20 0 EHADHM CC(C)[C@H](C)CNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000735701013 598836877 /nfs/dbraw/zinc/83/68/77/598836877.db2.gz JFXPNWBDEQCUQA-CQSZACIVSA-N -1 3 349.438 3.556 20 0 EHADHM CCC[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000736435269 598935690 /nfs/dbraw/zinc/93/56/90/598935690.db2.gz ANZVTTUMQISOHU-AWEZNQCLSA-N -1 3 328.807 3.868 20 0 EHADHM CCC[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000736435269 598935692 /nfs/dbraw/zinc/93/56/92/598935692.db2.gz ANZVTTUMQISOHU-AWEZNQCLSA-N -1 3 328.807 3.868 20 0 EHADHM Cc1ccc([C@@H]2CCCN2c2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737330971 598937314 /nfs/dbraw/zinc/93/73/14/598937314.db2.gz LDUMENDZDDXWBA-HNNXBMFYSA-N -1 3 340.818 3.565 20 0 EHADHM Cc1ccc([C@@H]2CCCN2c2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737330971 598937315 /nfs/dbraw/zinc/93/73/15/598937315.db2.gz LDUMENDZDDXWBA-HNNXBMFYSA-N -1 3 340.818 3.565 20 0 EHADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CC=CC1 ZINC000738184309 598941956 /nfs/dbraw/zinc/94/19/56/598941956.db2.gz OJVFHQIDJNMDCU-UHFFFAOYSA-N -1 3 347.378 3.564 20 0 EHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CC=CC1 ZINC000738184309 598941958 /nfs/dbraw/zinc/94/19/58/598941958.db2.gz OJVFHQIDJNMDCU-UHFFFAOYSA-N -1 3 347.378 3.564 20 0 EHADHM Clc1cc(-c2nnn[n-]2)cnc1SCCCc1ccccc1 ZINC000737557464 598942729 /nfs/dbraw/zinc/94/27/29/598942729.db2.gz FFIRLFYAGWWERP-UHFFFAOYSA-N -1 3 331.832 3.640 20 0 EHADHM Clc1cc(-c2nn[n-]n2)cnc1SCCCc1ccccc1 ZINC000737557464 598942730 /nfs/dbraw/zinc/94/27/30/598942730.db2.gz FFIRLFYAGWWERP-UHFFFAOYSA-N -1 3 331.832 3.640 20 0 EHADHM C[C@H]1CCC[C@@H](CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000736254421 599045909 /nfs/dbraw/zinc/04/59/09/599045909.db2.gz ZICURPIMIGTSAM-VHSXEESVSA-N -1 3 340.353 3.519 20 0 EHADHM C[C@H]1CCC[C@@H](CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000736254421 599045912 /nfs/dbraw/zinc/04/59/12/599045912.db2.gz ZICURPIMIGTSAM-VHSXEESVSA-N -1 3 340.353 3.519 20 0 EHADHM C[C@H](CNc1ccc(Cl)cc1-c1nnn[n-]1)Oc1ccc(F)cc1 ZINC000820281119 599069068 /nfs/dbraw/zinc/06/90/68/599069068.db2.gz ROGKTLHIPJETRH-SNVBAGLBSA-N -1 3 347.781 3.539 20 0 EHADHM C[C@H](CNc1ccc(Cl)cc1-c1nn[n-]n1)Oc1ccc(F)cc1 ZINC000820281119 599069071 /nfs/dbraw/zinc/06/90/71/599069071.db2.gz ROGKTLHIPJETRH-SNVBAGLBSA-N -1 3 347.781 3.539 20 0 EHADHM C[C@@H]1C[C@H](c2ccccc2F)N(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000820667436 599077417 /nfs/dbraw/zinc/07/74/17/599077417.db2.gz MHBGHULRRMFCAA-BDJLRTHQSA-N -1 3 341.365 3.732 20 0 EHADHM C[C@@H]1C[C@H](c2ccccc2F)N(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000820667436 599077420 /nfs/dbraw/zinc/07/74/20/599077420.db2.gz MHBGHULRRMFCAA-BDJLRTHQSA-N -1 3 341.365 3.732 20 0 EHADHM C[C@H](CNc1c(F)cc(-c2nnn[n-]2)cc1F)Sc1ccccc1 ZINC000820274308 599079219 /nfs/dbraw/zinc/07/92/19/599079219.db2.gz GVFSDGUFCHXXOP-SNVBAGLBSA-N -1 3 347.394 3.738 20 0 EHADHM C[C@H](CNc1c(F)cc(-c2nn[n-]n2)cc1F)Sc1ccccc1 ZINC000820274308 599079222 /nfs/dbraw/zinc/07/92/22/599079222.db2.gz GVFSDGUFCHXXOP-SNVBAGLBSA-N -1 3 347.394 3.738 20 0 EHADHM C[C@H](CNc1ccc(F)cc1-c1nnn[n-]1)Sc1ccccc1 ZINC000820280532 599080198 /nfs/dbraw/zinc/08/01/98/599080198.db2.gz IRAQKNDYQDTHMK-LLVKDONJSA-N -1 3 329.404 3.599 20 0 EHADHM C[C@H](CNc1ccc(F)cc1-c1nn[n-]n1)Sc1ccccc1 ZINC000820280532 599080201 /nfs/dbraw/zinc/08/02/01/599080201.db2.gz IRAQKNDYQDTHMK-LLVKDONJSA-N -1 3 329.404 3.599 20 0 EHADHM CCC(CC)(CNc1cc(Cl)ccc1-c1nnn[n-]1)SC ZINC000820887506 599084826 /nfs/dbraw/zinc/08/48/26/599084826.db2.gz DXZCTXRPKXZNOW-UHFFFAOYSA-N -1 3 325.869 3.854 20 0 EHADHM CCC(CC)(CNc1cc(Cl)ccc1-c1nn[n-]n1)SC ZINC000820887506 599084829 /nfs/dbraw/zinc/08/48/29/599084829.db2.gz DXZCTXRPKXZNOW-UHFFFAOYSA-N -1 3 325.869 3.854 20 0 EHADHM c1ccc2sc(CSc3ccccc3-c3nnn[n-]3)nc2c1 ZINC000738427393 599111206 /nfs/dbraw/zinc/11/12/06/599111206.db2.gz WFYJMGFVKNAMQT-UHFFFAOYSA-N -1 3 325.422 3.769 20 0 EHADHM c1ccc2sc(CSc3ccccc3-c3nn[n-]n3)nc2c1 ZINC000738427393 599111208 /nfs/dbraw/zinc/11/12/08/599111208.db2.gz WFYJMGFVKNAMQT-UHFFFAOYSA-N -1 3 325.422 3.769 20 0 EHADHM CCCCCC[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736448482 599177051 /nfs/dbraw/zinc/17/70/51/599177051.db2.gz YJVHMYXEXOHXRX-LLVKDONJSA-N -1 3 347.488 3.962 20 0 EHADHM CCCCCC[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736448482 599177053 /nfs/dbraw/zinc/17/70/53/599177053.db2.gz YJVHMYXEXOHXRX-LLVKDONJSA-N -1 3 347.488 3.962 20 0 EHADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821034287 607285598 /nfs/dbraw/zinc/28/55/98/607285598.db2.gz KDYXWQUKSLZCDM-BLLLJJGKSA-N -1 3 342.447 3.608 20 0 EHADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821034287 607285599 /nfs/dbraw/zinc/28/55/99/607285599.db2.gz KDYXWQUKSLZCDM-BLLLJJGKSA-N -1 3 342.447 3.608 20 0 EHADHM Cc1c(NC(=O)N2CCC[C@H]2CC(C)(C)C)cccc1-c1nnn[n-]1 ZINC000822084882 607286469 /nfs/dbraw/zinc/28/64/69/607286469.db2.gz RHTHZVZYUKFNJN-ZDUSSCGKSA-N -1 3 342.447 3.608 20 0 EHADHM Cc1c(NC(=O)N2CCC[C@H]2CC(C)(C)C)cccc1-c1nn[n-]n1 ZINC000822084882 607286470 /nfs/dbraw/zinc/28/64/70/607286470.db2.gz RHTHZVZYUKFNJN-ZDUSSCGKSA-N -1 3 342.447 3.608 20 0 EHADHM Cc1c(NC(=O)[C@@H](CC(C)C)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822059559 607294810 /nfs/dbraw/zinc/29/48/10/607294810.db2.gz CCABCZJMMXKQFJ-KRWDZBQOSA-N -1 3 349.438 3.944 20 0 EHADHM Cc1c(NC(=O)[C@@H](CC(C)C)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822059559 607294811 /nfs/dbraw/zinc/29/48/11/607294811.db2.gz CCABCZJMMXKQFJ-KRWDZBQOSA-N -1 3 349.438 3.944 20 0 EHADHM C[C@H](Nc1cccc(Cl)c1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000820462668 599273502 /nfs/dbraw/zinc/27/35/02/599273502.db2.gz ZPCXMFIRFNVHMR-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@H](Nc1cccc(Cl)c1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000820462668 599273506 /nfs/dbraw/zinc/27/35/06/599273506.db2.gz ZPCXMFIRFNVHMR-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM Cc1nc2ccccc2c(S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737482598 599285491 /nfs/dbraw/zinc/28/54/91/599285491.db2.gz JEUXEZDWGBDLAO-NSHDSACASA-N -1 3 348.435 3.972 20 0 EHADHM Cc1nc2ccccc2c(S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737482598 599285494 /nfs/dbraw/zinc/28/54/94/599285494.db2.gz JEUXEZDWGBDLAO-NSHDSACASA-N -1 3 348.435 3.972 20 0 EHADHM CCC(CC)n1ccc(CSCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820898229 607325720 /nfs/dbraw/zinc/32/57/20/607325720.db2.gz WRBGPZZBRVINBQ-UHFFFAOYSA-N -1 3 342.472 3.858 20 0 EHADHM CCC(CC)n1ccc(CSCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820898229 607325721 /nfs/dbraw/zinc/32/57/21/607325721.db2.gz WRBGPZZBRVINBQ-UHFFFAOYSA-N -1 3 342.472 3.858 20 0 EHADHM O=C([O-])C1CCC(N[C@@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000821494876 598115939 /nfs/dbraw/zinc/11/59/39/598115939.db2.gz WBHMYSHQZLTAMP-PVARCSIZSA-N -1 3 328.387 3.543 20 0 EHADHM CC(C)(C)OCc1cccc(CNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735640086 598298513 /nfs/dbraw/zinc/29/85/13/598298513.db2.gz WZQVSJXBSDGPIX-UHFFFAOYSA-N -1 3 337.427 3.794 20 0 EHADHM Cc1ccc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737360070 598315965 /nfs/dbraw/zinc/31/59/65/598315965.db2.gz LIFBUQBQEQIJCT-UHFFFAOYSA-N -1 3 344.831 3.637 20 0 EHADHM Cc1ccc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737360070 598315967 /nfs/dbraw/zinc/31/59/67/598315967.db2.gz LIFBUQBQEQIJCT-UHFFFAOYSA-N -1 3 344.831 3.637 20 0 EHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(F)ccc1F ZINC000736193769 598391957 /nfs/dbraw/zinc/39/19/57/598391957.db2.gz SVIHJNNQDVXQJW-SECBINFHSA-N -1 3 346.362 3.508 20 0 EHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(F)ccc1F ZINC000736193769 598391959 /nfs/dbraw/zinc/39/19/59/598391959.db2.gz SVIHJNNQDVXQJW-SECBINFHSA-N -1 3 346.362 3.508 20 0 EHADHM CCN(C(=O)C[C@@H](C)CC(C)C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502194 598494604 /nfs/dbraw/zinc/49/46/04/598494604.db2.gz LGWFLJIWSSDSHI-GJZGRUSLSA-N -1 3 343.475 3.849 20 0 EHADHM CCN(C(=O)C[C@@H](C)CC(C)C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502194 598494605 /nfs/dbraw/zinc/49/46/05/598494605.db2.gz LGWFLJIWSSDSHI-GJZGRUSLSA-N -1 3 343.475 3.849 20 0 EHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1occc1-c1ccccc1 ZINC000738166062 598601590 /nfs/dbraw/zinc/60/15/90/598601590.db2.gz QZQGNOJFFYKXFX-UHFFFAOYSA-N -1 3 349.325 3.518 20 0 EHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1occc1-c1ccccc1 ZINC000738166062 598601592 /nfs/dbraw/zinc/60/15/92/598601592.db2.gz QZQGNOJFFYKXFX-UHFFFAOYSA-N -1 3 349.325 3.518 20 0 EHADHM FC(F)(F)c1cc(NCc2ccc(Cl)o2)ccc1-c1nnn[n-]1 ZINC000737630992 598636357 /nfs/dbraw/zinc/63/63/57/598636357.db2.gz APOGHURLUIXKCW-UHFFFAOYSA-N -1 3 343.696 3.744 20 0 EHADHM FC(F)(F)c1cc(NCc2ccc(Cl)o2)ccc1-c1nn[n-]n1 ZINC000737630992 598636358 /nfs/dbraw/zinc/63/63/58/598636358.db2.gz APOGHURLUIXKCW-UHFFFAOYSA-N -1 3 343.696 3.744 20 0 EHADHM CCC(=CC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736303135 598785978 /nfs/dbraw/zinc/78/59/78/598785978.db2.gz IGGCAIFERDGMQS-JNINTMOKSA-N -1 3 348.406 3.965 20 0 EHADHM CCC(=CC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736303135 598785979 /nfs/dbraw/zinc/78/59/79/598785979.db2.gz IGGCAIFERDGMQS-JNINTMOKSA-N -1 3 348.406 3.965 20 0 EHADHM C[C@H](Nc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000736137366 598791143 /nfs/dbraw/zinc/79/11/43/598791143.db2.gz JZLIRTNAJYCIDR-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@H](Nc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000736137366 598791144 /nfs/dbraw/zinc/79/11/44/598791144.db2.gz JZLIRTNAJYCIDR-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM CC(C)(C)C[C@H](Nc1ncccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000735593677 598814926 /nfs/dbraw/zinc/81/49/26/598814926.db2.gz MGYSORIROHIZCX-HNNXBMFYSA-N -1 3 340.406 3.990 20 0 EHADHM CC(C)(C)C[C@H](Nc1ncccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000735593677 598814927 /nfs/dbraw/zinc/81/49/27/598814927.db2.gz MGYSORIROHIZCX-HNNXBMFYSA-N -1 3 340.406 3.990 20 0 EHADHM C[C@@H](SCCOc1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191895 599325523 /nfs/dbraw/zinc/32/55/23/599325523.db2.gz XOVALHAHFPOICW-GFCCVEGCSA-N -1 3 344.415 3.879 20 0 EHADHM C[C@@H](SCCOc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191895 599325526 /nfs/dbraw/zinc/32/55/26/599325526.db2.gz XOVALHAHFPOICW-GFCCVEGCSA-N -1 3 344.415 3.879 20 0 EHADHM C[C@@H](SCc1noc2c1CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192028 599325550 /nfs/dbraw/zinc/32/55/50/599325550.db2.gz JYYVBLSBAHZQLV-LLVKDONJSA-N -1 3 341.440 3.728 20 0 EHADHM C[C@@H](SCc1noc2c1CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192028 599325553 /nfs/dbraw/zinc/32/55/53/599325553.db2.gz JYYVBLSBAHZQLV-LLVKDONJSA-N -1 3 341.440 3.728 20 0 EHADHM C[C@H](SCc1noc(C(C)(C)C)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193334 599326168 /nfs/dbraw/zinc/32/61/68/599326168.db2.gz PBRGAKJWBPFGSV-JTQLQIEISA-N -1 3 344.444 3.542 20 0 EHADHM C[C@H](SCc1noc(C(C)(C)C)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193334 599326171 /nfs/dbraw/zinc/32/61/71/599326171.db2.gz PBRGAKJWBPFGSV-JTQLQIEISA-N -1 3 344.444 3.542 20 0 EHADHM CC(C)(C)c1nc(CSc2ccccc2-c2nnn[n-]2)cs1 ZINC000819965566 599345967 /nfs/dbraw/zinc/34/59/67/599345967.db2.gz IJGQXKIGVTWXAU-UHFFFAOYSA-N -1 3 331.470 3.913 20 0 EHADHM CC(C)(C)c1nc(CSc2ccccc2-c2nn[n-]n2)cs1 ZINC000819965566 599345968 /nfs/dbraw/zinc/34/59/68/599345968.db2.gz IJGQXKIGVTWXAU-UHFFFAOYSA-N -1 3 331.470 3.913 20 0 EHADHM CC(C)OCc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820145602 599370313 /nfs/dbraw/zinc/37/03/13/599370313.db2.gz BQKAUFFFNUWWIW-CQSZACIVSA-N -1 3 337.427 3.965 20 0 EHADHM CC(C)OCc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820145602 599370316 /nfs/dbraw/zinc/37/03/16/599370316.db2.gz BQKAUFFFNUWWIW-CQSZACIVSA-N -1 3 337.427 3.965 20 0 EHADHM C[C@@H]1C[C@H]1c1ccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)o1 ZINC000736236861 599413944 /nfs/dbraw/zinc/41/39/44/599413944.db2.gz MAUWDMKHYLCWBD-BXUZGUMPSA-N -1 3 346.394 3.743 20 0 EHADHM C[C@@H]1C[C@H]1c1ccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)o1 ZINC000736236861 599413948 /nfs/dbraw/zinc/41/39/48/599413948.db2.gz MAUWDMKHYLCWBD-BXUZGUMPSA-N -1 3 346.394 3.743 20 0 EHADHM C[C@H](Cc1ccsc1)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736066553 599415924 /nfs/dbraw/zinc/41/59/24/599415924.db2.gz OKXCRDRUFGXOMH-LLVKDONJSA-N -1 3 336.424 3.520 20 0 EHADHM C[C@H](Cc1ccsc1)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736066553 599415925 /nfs/dbraw/zinc/41/59/25/599415925.db2.gz OKXCRDRUFGXOMH-LLVKDONJSA-N -1 3 336.424 3.520 20 0 EHADHM CCOc1ccc(SCc2cc(-c3nnn[n-]3)ccc2OC)cc1 ZINC000821427181 607376935 /nfs/dbraw/zinc/37/69/35/607376935.db2.gz NPDPYXNRNJDLBE-UHFFFAOYSA-N -1 3 342.424 3.566 20 0 EHADHM CCOc1ccc(SCc2cc(-c3nn[n-]n3)ccc2OC)cc1 ZINC000821427181 607376937 /nfs/dbraw/zinc/37/69/37/607376937.db2.gz NPDPYXNRNJDLBE-UHFFFAOYSA-N -1 3 342.424 3.566 20 0 EHADHM Clc1cccc(-c2nnn[n-]2)c1NCc1cc2ccccc2o1 ZINC000822585531 599481153 /nfs/dbraw/zinc/48/11/53/599481153.db2.gz CJXQRASNHMJTNQ-UHFFFAOYSA-N -1 3 325.759 3.878 20 0 EHADHM Clc1cccc(-c2nn[n-]n2)c1NCc1cc2ccccc2o1 ZINC000822585531 599481154 /nfs/dbraw/zinc/48/11/54/599481154.db2.gz CJXQRASNHMJTNQ-UHFFFAOYSA-N -1 3 325.759 3.878 20 0 EHADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2C[C@@H](c3ccccc3C)C[C@@H]2C)n1 ZINC000737243537 599528325 /nfs/dbraw/zinc/52/83/25/599528325.db2.gz AEHURPCKWITNIC-HOTGVXAUSA-N -1 3 348.454 3.569 20 0 EHADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2C[C@@H](c3ccccc3C)C[C@@H]2C)n1 ZINC000737243537 599528326 /nfs/dbraw/zinc/52/83/26/599528326.db2.gz AEHURPCKWITNIC-HOTGVXAUSA-N -1 3 348.454 3.569 20 0 EHADHM Clc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000822568426 599579429 /nfs/dbraw/zinc/57/94/29/599579429.db2.gz QSRYFQZTFNZMQE-AWEZNQCLSA-N -1 3 339.830 3.589 20 0 EHADHM Clc1ccc(-c2nn[n-]n2)c(N2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000822568426 599579432 /nfs/dbraw/zinc/57/94/32/599579432.db2.gz QSRYFQZTFNZMQE-AWEZNQCLSA-N -1 3 339.830 3.589 20 0 EHADHM Cc1ccc([C@H]2CCCCN2c2cccc(F)c2-c2nnn[n-]2)o1 ZINC000822233697 599579738 /nfs/dbraw/zinc/57/97/38/599579738.db2.gz SZOPQUVIPYDWNL-CYBMUJFWSA-N -1 3 327.363 3.639 20 0 EHADHM Cc1ccc([C@H]2CCCCN2c2cccc(F)c2-c2nn[n-]n2)o1 ZINC000822233697 599579740 /nfs/dbraw/zinc/57/97/40/599579740.db2.gz SZOPQUVIPYDWNL-CYBMUJFWSA-N -1 3 327.363 3.639 20 0 EHADHM CC(=CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)C(C)(C)C ZINC000819765786 599628517 /nfs/dbraw/zinc/62/85/17/599628517.db2.gz RLVZIXHHISKUOB-KTKRTIGZSA-N -1 3 345.472 3.738 20 0 EHADHM C/C(=C/C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)C(C)(C)C ZINC000819765786 599628518 /nfs/dbraw/zinc/62/85/18/599628518.db2.gz RLVZIXHHISKUOB-KTKRTIGZSA-N -1 3 345.472 3.738 20 0 EHADHM O=C(CC1CCC1)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000822941096 599630901 /nfs/dbraw/zinc/63/09/01/599630901.db2.gz PQDYYWFXCPGXEK-UHFFFAOYSA-N -1 3 339.424 3.724 20 0 EHADHM O=C(CC1CCC1)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000822941096 599630902 /nfs/dbraw/zinc/63/09/02/599630902.db2.gz PQDYYWFXCPGXEK-UHFFFAOYSA-N -1 3 339.424 3.724 20 0 EHADHM Cc1[nH]c(C(=O)CN(CC2CC2)C2CCCCC2)c(C)c1C(=O)[O-] ZINC000738233450 599773280 /nfs/dbraw/zinc/77/32/80/599773280.db2.gz OFUPFWQNILSJPN-UHFFFAOYSA-N -1 3 332.444 3.557 20 0 EHADHM COc1ccc(CN(Cc2ccc(F)cc2C(=O)[O-])C2CC2)cc1 ZINC000652380613 600082941 /nfs/dbraw/zinc/08/29/41/600082941.db2.gz BFGMWZXGSHMVTA-UHFFFAOYSA-N -1 3 329.371 3.697 20 0 EHADHM O=C([O-])[C@@H]1CC12CCN(CCOc1cc(Cl)ccc1Cl)CC2 ZINC000572168600 600304226 /nfs/dbraw/zinc/30/42/26/600304226.db2.gz DJSOQWKRKFRWBH-LBPRGKRZSA-N -1 3 344.238 3.559 20 0 EHADHM COc1cc(CN(C)[C@H](C(=O)[O-])c2cccc(Cl)c2)cc(OC)c1 ZINC000737882167 600401644 /nfs/dbraw/zinc/40/16/44/600401644.db2.gz ULHMNCUVFDNWIH-KRWDZBQOSA-N -1 3 349.814 3.615 20 0 EHADHM Cc1cc(C)n([C@H]2CCCN([C@H](C(=O)[O-])c3cccc(Cl)c3)C2)n1 ZINC000738371791 600408681 /nfs/dbraw/zinc/40/86/81/600408681.db2.gz ZSQGKFZKJKACKD-IRXDYDNUSA-N -1 3 347.846 3.616 20 0 EHADHM C[C@@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(OC(F)F)cc1 ZINC000736662645 600420608 /nfs/dbraw/zinc/42/06/08/600420608.db2.gz QSXAYJZHIOQXME-BMIGLBTASA-N -1 3 339.313 3.904 20 0 EHADHM O=C([O-])[C@H](NCc1cc(F)cc(Br)c1)c1ccccc1 ZINC000093996290 600426326 /nfs/dbraw/zinc/42/63/26/600426326.db2.gz VVLPPZOMZMKUGH-CQSZACIVSA-N -1 3 338.176 3.504 20 0 EHADHM CSc1ccc2cc(CN3CCC[C@@H]3C(=O)[O-])c(Cl)nc2c1 ZINC000738215439 600437292 /nfs/dbraw/zinc/43/72/92/600437292.db2.gz XMEAJJXEBGFPAL-CQSZACIVSA-N -1 3 336.844 3.659 20 0 EHADHM COc1ccc(CN(C)CCOc2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000574816095 600816585 /nfs/dbraw/zinc/81/65/85/600816585.db2.gz FEKLDSCMNYLIFA-UHFFFAOYSA-N -1 3 349.814 3.558 20 0 EHADHM Cc1csc(C2(NCCOc3cccc(C(=O)[O-])c3)CCCC2)n1 ZINC000832989026 601045724 /nfs/dbraw/zinc/04/57/24/601045724.db2.gz QSWMOJWLHJBIGY-UHFFFAOYSA-N -1 3 346.452 3.588 20 0 EHADHM C[C@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1cccc(N2CCCC2)c1 ZINC000827717344 601499714 /nfs/dbraw/zinc/49/97/14/601499714.db2.gz GRJYTGFAAQSONJ-IFXJQAMLSA-N -1 3 342.414 3.902 20 0 EHADHM CN(CCOc1ccccc1Cl)Cc1ccsc1C(=O)[O-] ZINC000652382168 601805580 /nfs/dbraw/zinc/80/55/80/601805580.db2.gz HMCWEDXBYSDWFB-UHFFFAOYSA-N -1 3 325.817 3.611 20 0 EHADHM O=C([O-])c1ccc(CN2CC=C(c3c[nH]c4ncccc34)CC2)s1 ZINC000833315418 601940409 /nfs/dbraw/zinc/94/04/09/601940409.db2.gz ULPVIVXWEFUDKU-UHFFFAOYSA-N -1 3 339.420 3.612 20 0 EHADHM O=C([O-])c1ccc(CN(Cc2ccccc2)C[C@H]2CCCO2)s1 ZINC000575130165 601944283 /nfs/dbraw/zinc/94/42/83/601944283.db2.gz MFKLZMBZSYVTLU-OAHLLOKOSA-N -1 3 331.437 3.628 20 0 EHADHM COc1ccc([C@H]2CCCN2Cc2ccc(C(=O)[O-])s2)cc1OC ZINC000563278114 601954133 /nfs/dbraw/zinc/95/41/33/601954133.db2.gz OVKNBEUNRKXMAT-CQSZACIVSA-N -1 3 347.436 3.801 20 0 EHADHM COc1cc(OC)cc([C@@H](N[C@@H](C)c2ccc(C)c(C)c2)C(=O)[O-])c1 ZINC000832049902 602169550 /nfs/dbraw/zinc/16/95/50/602169550.db2.gz KZCYKMGOUQUAFQ-IFXJQAMLSA-N -1 3 343.423 3.797 20 0 EHADHM C[C@@H](c1nc2ccccc2s1)N(C)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739064761 602701569 /nfs/dbraw/zinc/70/15/69/602701569.db2.gz RTYCXVCCHZTADM-STQMWFEESA-N -1 3 333.457 3.679 20 0 EHADHM C[C@@H](NC(=O)[O-])c1ccc(CN[C@H]2CCc3ccc(F)cc32)cc1 ZINC000825397861 604303627 /nfs/dbraw/zinc/30/36/27/604303627.db2.gz QXQPFEQCXFERTL-XIKOKIGWSA-N -1 3 328.387 3.931 20 0 EHADHM C[C@@H](NCc1ccc(C(=O)[O-])o1)[C@H](C)c1nc2ccccc2s1 ZINC000827740779 604330171 /nfs/dbraw/zinc/33/01/71/604330171.db2.gz BXAKSAUNGPACFS-WDEREUQCSA-N -1 3 330.409 3.869 20 0 EHADHM C[C@H](Oc1ccc(CN2CCc3ccccc3[C@@H]2C)cc1)C(=O)[O-] ZINC000833537809 604633327 /nfs/dbraw/zinc/63/33/27/604633327.db2.gz AUHBRCVDFUXION-GJZGRUSLSA-N -1 3 325.408 3.658 20 0 EHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2ccc(Br)s2)C1 ZINC000135027776 604936026 /nfs/dbraw/zinc/93/60/26/604936026.db2.gz XYZZQJWMLFPWIY-JTQLQIEISA-N -1 3 346.290 3.833 20 0 EHADHM O=C([O-])NCCc1ccc(CN[C@H]2CCCOc3ccccc32)cc1 ZINC000832671490 604943651 /nfs/dbraw/zinc/94/36/51/604943651.db2.gz BQPMPJBTLAOJFE-SFHVURJKSA-N -1 3 340.423 3.500 20 0 EHADHM COc1cccc(-c2ccc(CN[C@H](C(=O)[O-])c3cccnc3)cc2)c1 ZINC000832510628 605004539 /nfs/dbraw/zinc/00/45/39/605004539.db2.gz ZPNNLDLFDVWABN-FQEVSTJZSA-N -1 3 348.402 3.673 20 0 EHADHM Cc1ccc(-c2cccc(CN[C@@H](C(=O)[O-])c3cccnc3)c2)cc1 ZINC000832905596 605007602 /nfs/dbraw/zinc/00/76/02/605007602.db2.gz CXLHOCYXPLNTPZ-HXUWFJFHSA-N -1 3 332.403 3.973 20 0 EHADHM CCN(C(=O)CCCSC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371015 607829787 /nfs/dbraw/zinc/82/97/87/607829787.db2.gz APIKNGJNKGGEAO-UHFFFAOYSA-N -1 3 347.488 3.532 20 0 EHADHM CCN(C(=O)CCCSC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371015 607829788 /nfs/dbraw/zinc/82/97/88/607829788.db2.gz APIKNGJNKGGEAO-UHFFFAOYSA-N -1 3 347.488 3.532 20 0 EHADHM Cc1nc2c(s1)[C@H](NCc1ccc([C@@H](C)NC(=O)[O-])cc1)CCC2 ZINC000830780129 605119946 /nfs/dbraw/zinc/11/99/46/605119946.db2.gz OFTSQYGYPTXDLD-IAQYHMDHSA-N -1 3 345.468 3.947 20 0 EHADHM C[C@@H]1CN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)C[C@@H](C)S1 ZINC000567479060 605265453 /nfs/dbraw/zinc/26/54/53/605265453.db2.gz LTUHKIGCGZHYDQ-BREBYQMCSA-N -1 3 333.375 3.657 20 0 EHADHM C[C@H](NC(=O)C=C1CCC(C)(C)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824480062 607745469 /nfs/dbraw/zinc/74/54/69/607745469.db2.gz SBSCFBGONDDMHS-ZDUSSCGKSA-N -1 3 339.443 3.571 20 0 EHADHM C[C@H](NC(=O)C=C1CCC(C)(C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824480062 607745470 /nfs/dbraw/zinc/74/54/70/607745470.db2.gz SBSCFBGONDDMHS-ZDUSSCGKSA-N -1 3 339.443 3.571 20 0 EHADHM C[C@@H]1CCN(Cc2ccc(OCC(=O)[O-])cc2)[C@@H](c2ccco2)C1 ZINC000833615289 605299407 /nfs/dbraw/zinc/29/94/07/605299407.db2.gz AKQGDLYIXJLTAR-RHSMWYFYSA-N -1 3 329.396 3.716 20 0 EHADHM c1ccc2c(c1)SC[C@H]2Nc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000823802165 606087892 /nfs/dbraw/zinc/08/78/92/606087892.db2.gz IHZZIGKGEFINCH-OAHLLOKOSA-N -1 3 346.419 3.674 20 0 EHADHM c1ccc2c(c1)SC[C@H]2Nc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000823802165 606087894 /nfs/dbraw/zinc/08/78/94/606087894.db2.gz IHZZIGKGEFINCH-OAHLLOKOSA-N -1 3 346.419 3.674 20 0 EHADHM C/C=C(/C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000820825724 606281504 /nfs/dbraw/zinc/28/15/04/606281504.db2.gz CGIBIRSWYCFSRF-BASWHVEKSA-N -1 3 335.367 3.564 20 0 EHADHM C/C=C(/C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000820825724 606281505 /nfs/dbraw/zinc/28/15/05/606281505.db2.gz CGIBIRSWYCFSRF-BASWHVEKSA-N -1 3 335.367 3.564 20 0 EHADHM CSc1ccsc1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821988767 606348091 /nfs/dbraw/zinc/34/80/91/606348091.db2.gz GTTRQKBDLAHQJQ-SECBINFHSA-N -1 3 346.437 3.568 20 0 EHADHM CSc1ccsc1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821988767 606348093 /nfs/dbraw/zinc/34/80/93/606348093.db2.gz GTTRQKBDLAHQJQ-SECBINFHSA-N -1 3 346.437 3.568 20 0 EHADHM COc1cccc([C@H](C)Sc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821860249 606360624 /nfs/dbraw/zinc/36/06/24/606360624.db2.gz ZKSWKFQJMYINBY-JTQLQIEISA-N -1 3 330.388 3.868 20 0 EHADHM COc1cccc([C@H](C)Sc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821860249 606360625 /nfs/dbraw/zinc/36/06/25/606360625.db2.gz ZKSWKFQJMYINBY-JTQLQIEISA-N -1 3 330.388 3.868 20 0 EHADHM CC(C)(C)c1ccccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819959030 606441290 /nfs/dbraw/zinc/44/12/90/606441290.db2.gz VQLFLWYOEKAWCO-UHFFFAOYSA-N -1 3 325.391 3.915 20 0 EHADHM CC(C)(C)c1ccccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819959030 606441292 /nfs/dbraw/zinc/44/12/92/606441292.db2.gz VQLFLWYOEKAWCO-UHFFFAOYSA-N -1 3 325.391 3.915 20 0 EHADHM Cc1cccc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1C ZINC000822323892 606597145 /nfs/dbraw/zinc/59/71/45/606597145.db2.gz QIJXUKUKIAOTNL-UHFFFAOYSA-N -1 3 345.353 3.697 20 0 EHADHM Cc1cccc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1C ZINC000822323892 606597147 /nfs/dbraw/zinc/59/71/47/606597147.db2.gz QIJXUKUKIAOTNL-UHFFFAOYSA-N -1 3 345.353 3.697 20 0 EHADHM C[C@H](SCc1cn2ccccc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820549666 606598320 /nfs/dbraw/zinc/59/83/20/606598320.db2.gz PZMVIZGNGUERGJ-LBPRGKRZSA-N -1 3 336.424 3.509 20 0 EHADHM C[C@H](SCc1cn2ccccc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820549666 606598322 /nfs/dbraw/zinc/59/83/22/606598322.db2.gz PZMVIZGNGUERGJ-LBPRGKRZSA-N -1 3 336.424 3.509 20 0 EHADHM CC(C)c1cnc(CSCc2ccc(F)cc2-c2nnn[n-]2)o1 ZINC000820198148 606636778 /nfs/dbraw/zinc/63/67/78/606636778.db2.gz QXNLDPFRKSWJOG-UHFFFAOYSA-N -1 3 333.392 3.551 20 0 EHADHM CC(C)c1cnc(CSCc2ccc(F)cc2-c2nn[n-]n2)o1 ZINC000820198148 606636779 /nfs/dbraw/zinc/63/67/79/606636779.db2.gz QXNLDPFRKSWJOG-UHFFFAOYSA-N -1 3 333.392 3.551 20 0 EHADHM CSc1cc(C)ccc1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000821979529 606800979 /nfs/dbraw/zinc/80/09/79/606800979.db2.gz STVYDNIVPZSSCK-UHFFFAOYSA-N -1 3 346.847 3.558 20 0 EHADHM CSc1cc(C)ccc1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000821979529 606800981 /nfs/dbraw/zinc/80/09/81/606800981.db2.gz STVYDNIVPZSSCK-UHFFFAOYSA-N -1 3 346.847 3.558 20 0 EHADHM Cc1ncsc1CCSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822481760 606851766 /nfs/dbraw/zinc/85/17/66/606851766.db2.gz FRDUMOYPRPFQAO-UHFFFAOYSA-N -1 3 337.861 3.620 20 0 EHADHM Cc1ncsc1CCSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822481760 606851767 /nfs/dbraw/zinc/85/17/67/606851767.db2.gz FRDUMOYPRPFQAO-UHFFFAOYSA-N -1 3 337.861 3.620 20 0 EHADHM Cc1ccc(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)s1 ZINC000822238872 606922989 /nfs/dbraw/zinc/92/29/89/606922989.db2.gz YFWFRUCQULSVHY-UHFFFAOYSA-N -1 3 339.346 3.868 20 0 EHADHM Cc1ccc(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)s1 ZINC000822238872 606922991 /nfs/dbraw/zinc/92/29/91/606922991.db2.gz YFWFRUCQULSVHY-UHFFFAOYSA-N -1 3 339.346 3.868 20 0 EHADHM C[C@@H]1c2ccccc2CN1c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000820827013 606940999 /nfs/dbraw/zinc/94/09/99/606940999.db2.gz PXDRYDICIGYHJN-SNVBAGLBSA-N -1 3 345.328 3.967 20 0 EHADHM C[C@@H]1c2ccccc2CN1c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000820827013 606941000 /nfs/dbraw/zinc/94/10/00/606941000.db2.gz PXDRYDICIGYHJN-SNVBAGLBSA-N -1 3 345.328 3.967 20 0 EHADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(Cl)c1 ZINC000820556676 607009719 /nfs/dbraw/zinc/00/97/19/607009719.db2.gz VHLVVKLJWLRGRG-JTQLQIEISA-N -1 3 344.827 3.884 20 0 EHADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(Cl)c1 ZINC000820556676 607009720 /nfs/dbraw/zinc/00/97/20/607009720.db2.gz VHLVVKLJWLRGRG-JTQLQIEISA-N -1 3 344.827 3.884 20 0 EHADHM Cc1oc(-c2ccccc2)nc1COc1cc(-c2nnn[n-]2)ccc1C ZINC000822221116 607029177 /nfs/dbraw/zinc/02/91/77/607029177.db2.gz AOQJAJSMZULDBO-UHFFFAOYSA-N -1 3 347.378 3.718 20 0 EHADHM Cc1oc(-c2ccccc2)nc1COc1cc(-c2nn[n-]n2)ccc1C ZINC000822221116 607029179 /nfs/dbraw/zinc/02/91/79/607029179.db2.gz AOQJAJSMZULDBO-UHFFFAOYSA-N -1 3 347.378 3.718 20 0 EHADHM CCC(=CC(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)CC ZINC000820832263 607032458 /nfs/dbraw/zinc/03/24/58/607032458.db2.gz ISLBEZRSSLLRDO-ZDUSSCGKSA-N -1 3 327.432 3.523 20 0 EHADHM CCC(=CC(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)CC ZINC000820832263 607032461 /nfs/dbraw/zinc/03/24/61/607032461.db2.gz ISLBEZRSSLLRDO-ZDUSSCGKSA-N -1 3 327.432 3.523 20 0 EHADHM c1ccc2c(c1)OC1(CCCC1)C[C@H]2Nc1ncccc1-c1nnn[n-]1 ZINC000823802466 607034930 /nfs/dbraw/zinc/03/49/30/607034930.db2.gz PLTRHYRQLIKPCY-OAHLLOKOSA-N -1 3 348.410 3.510 20 0 EHADHM c1ccc2c(c1)OC1(CCCC1)C[C@H]2Nc1ncccc1-c1nn[n-]n1 ZINC000823802466 607034932 /nfs/dbraw/zinc/03/49/32/607034932.db2.gz PLTRHYRQLIKPCY-OAHLLOKOSA-N -1 3 348.410 3.510 20 0 EHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)=C1CCCC1 ZINC000821118003 607042781 /nfs/dbraw/zinc/04/27/81/607042781.db2.gz DPRADXYZRCJYSE-UHFFFAOYSA-N -1 3 340.431 3.518 20 0 EHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(Cl)c(C)c2)s1 ZINC000821465452 607067592 /nfs/dbraw/zinc/06/75/92/607067592.db2.gz HTCSNNCGQZFOHZ-UHFFFAOYSA-N -1 3 347.831 3.705 20 0 EHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(Cl)c(C)c2)s1 ZINC000821465452 607067594 /nfs/dbraw/zinc/06/75/94/607067594.db2.gz HTCSNNCGQZFOHZ-UHFFFAOYSA-N -1 3 347.831 3.705 20 0 EHADHM CCCCC[C@H]1CCCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821050025 607194698 /nfs/dbraw/zinc/19/46/98/607194698.db2.gz OXALAKYSIMBGIA-ZDUSSCGKSA-N -1 3 346.410 3.582 20 0 EHADHM CCCCC[C@H]1CCCN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821050025 607194699 /nfs/dbraw/zinc/19/46/99/607194699.db2.gz OXALAKYSIMBGIA-ZDUSSCGKSA-N -1 3 346.410 3.582 20 0 EHADHM Cc1c2cccc(C)c2oc1C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000826234399 607787651 /nfs/dbraw/zinc/78/76/51/607787651.db2.gz URHLCWBJPRUDOS-UHFFFAOYSA-N -1 3 347.378 3.506 20 0 EHADHM Cc1c2cccc(C)c2oc1C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000826234399 607787652 /nfs/dbraw/zinc/78/76/52/607787652.db2.gz URHLCWBJPRUDOS-UHFFFAOYSA-N -1 3 347.378 3.506 20 0 EHADHM Fc1ccc2c(c1)[C@H](Sc1cc(-c3nnn[n-]3)ccn1)CCC2 ZINC000826375784 607809123 /nfs/dbraw/zinc/80/91/23/607809123.db2.gz BMUUZZHQQDJVRN-CQSZACIVSA-N -1 3 327.388 3.571 20 0 EHADHM Fc1ccc2c(c1)[C@H](Sc1cc(-c3nn[n-]n3)ccn1)CCC2 ZINC000826375784 607809124 /nfs/dbraw/zinc/80/91/24/607809124.db2.gz BMUUZZHQQDJVRN-CQSZACIVSA-N -1 3 327.388 3.571 20 0 EHADHM C[C@H](OC(=O)CCCSC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824712889 607830284 /nfs/dbraw/zinc/83/02/84/607830284.db2.gz DVXQPLARQGPVQA-LBPRGKRZSA-N -1 3 348.472 3.783 20 0 EHADHM C[C@H](OC(=O)CCCSC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824712889 607830285 /nfs/dbraw/zinc/83/02/85/607830285.db2.gz DVXQPLARQGPVQA-LBPRGKRZSA-N -1 3 348.472 3.783 20 0 EHADHM c1ccc(-c2ncccc2NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826519060 607843381 /nfs/dbraw/zinc/84/33/81/607843381.db2.gz IIFOFVAWLXZKAQ-UHFFFAOYSA-N -1 3 328.379 3.541 20 0 EHADHM c1ccc(-c2ncccc2NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826519060 607843382 /nfs/dbraw/zinc/84/33/82/607843382.db2.gz IIFOFVAWLXZKAQ-UHFFFAOYSA-N -1 3 328.379 3.541 20 0 EHADHM c1ccc2c(c1)CC[C@H]2Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826523591 608222629 /nfs/dbraw/zinc/22/26/29/608222629.db2.gz QXCIYOKNDVHCDF-QGZVFWFLSA-N -1 3 328.379 3.514 20 0 EHADHM c1ccc2c(c1)CC[C@H]2Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826523591 608222630 /nfs/dbraw/zinc/22/26/30/608222630.db2.gz QXCIYOKNDVHCDF-QGZVFWFLSA-N -1 3 328.379 3.514 20 0 EHADHM Cc1cccc([C@@H](Nc2ccc(-c3nn[n-]n3)cc2)c2ccccn2)c1 ZINC000826296697 608230688 /nfs/dbraw/zinc/23/06/88/608230688.db2.gz GDOIANVOYIUOIM-LJQANCHMSA-N -1 3 342.406 3.772 20 0 EHADHM CCC[C@@H](C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825234060 608303429 /nfs/dbraw/zinc/30/34/29/608303429.db2.gz VWGYODQURAWINY-CQSZACIVSA-N -1 3 349.438 3.586 20 0 EHADHM CCC[C@@H](C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825234060 608303430 /nfs/dbraw/zinc/30/34/30/608303430.db2.gz VWGYODQURAWINY-CQSZACIVSA-N -1 3 349.438 3.586 20 0 EHADHM CCN(C(=O)C[C@H]1CC[C@@H](C)C1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367296 608344921 /nfs/dbraw/zinc/34/49/21/608344921.db2.gz MYRZFXQXJDLUEQ-NEPJUHHUSA-N -1 3 347.850 3.699 20 0 EHADHM CCN(C(=O)C[C@H]1CC[C@@H](C)C1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367296 608344923 /nfs/dbraw/zinc/34/49/23/608344923.db2.gz MYRZFXQXJDLUEQ-NEPJUHHUSA-N -1 3 347.850 3.699 20 0 EHADHM Fc1cc(F)c(SCc2cccc(-c3nnn[n-]3)c2F)c(F)c1 ZINC000826372998 608397426 /nfs/dbraw/zinc/39/74/26/608397426.db2.gz VGGGDRGDYLEJGF-UHFFFAOYSA-N -1 3 340.305 3.715 20 0 EHADHM Fc1cc(F)c(SCc2cccc(-c3nn[n-]n3)c2F)c(F)c1 ZINC000826372998 608397428 /nfs/dbraw/zinc/39/74/28/608397428.db2.gz VGGGDRGDYLEJGF-UHFFFAOYSA-N -1 3 340.305 3.715 20 0 EHADHM Cc1cc(C)c(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000826263463 608571921 /nfs/dbraw/zinc/57/19/21/608571921.db2.gz CFTUJYSZEQFUGI-UHFFFAOYSA-N -1 3 341.802 3.698 20 0 EHADHM Cc1cc(C)c(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000826263463 608571923 /nfs/dbraw/zinc/57/19/23/608571923.db2.gz CFTUJYSZEQFUGI-UHFFFAOYSA-N -1 3 341.802 3.698 20 0 EHADHM Clc1cccc2c1OCCC[C@@H]2Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826353553 608589292 /nfs/dbraw/zinc/58/92/92/608589292.db2.gz UVWNQIKGPHAERN-HNNXBMFYSA-N -1 3 341.802 3.846 20 0 EHADHM COc1ccc(CNc2cccc(-c3nnn[n-]3)c2)c2ccccc12 ZINC000378965808 608867651 /nfs/dbraw/zinc/86/76/51/608867651.db2.gz ZUCGNKCWAJKVMY-UHFFFAOYSA-N -1 3 331.379 3.641 20 0 EHADHM COc1ccc(CNc2cccc(-c3nn[n-]n3)c2)c2ccccc12 ZINC000378965808 608867652 /nfs/dbraw/zinc/86/76/52/608867652.db2.gz ZUCGNKCWAJKVMY-UHFFFAOYSA-N -1 3 331.379 3.641 20 0 EHADHM C(=Cc1ccc(-c2nnn[n-]2)cn1)c1ncc(-c2ccccc2)s1 ZINC000823861275 608875668 /nfs/dbraw/zinc/87/56/68/608875668.db2.gz CEIZLYNGJJJIIH-CMDGGOBGSA-N -1 3 332.392 3.556 20 0 EHADHM C(=Cc1ccc(-c2nn[n-]n2)cn1)c1ncc(-c2ccccc2)s1 ZINC000823861275 608875671 /nfs/dbraw/zinc/87/56/71/608875671.db2.gz CEIZLYNGJJJIIH-CMDGGOBGSA-N -1 3 332.392 3.556 20 0 EHADHM CC(C)C[C@H]1C[C@H](Nc2c(Cl)cccc2-c2nnn[n-]2)CCO1 ZINC000824243035 609170658 /nfs/dbraw/zinc/17/06/58/609170658.db2.gz CVZWDSOXGVVXRU-NEPJUHHUSA-N -1 3 335.839 3.526 20 0 EHADHM CC(C)C[C@H]1C[C@H](Nc2c(Cl)cccc2-c2nn[n-]n2)CCO1 ZINC000824243035 609170660 /nfs/dbraw/zinc/17/06/60/609170660.db2.gz CVZWDSOXGVVXRU-NEPJUHHUSA-N -1 3 335.839 3.526 20 0 EHADHM COc1cc(C)nc(CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826178597 609183380 /nfs/dbraw/zinc/18/33/80/609183380.db2.gz DRNLAMISAJXBPN-GFCCVEGCSA-N -1 3 341.440 3.573 20 0 EHADHM COc1cc(C)nc(CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826178597 609183381 /nfs/dbraw/zinc/18/33/81/609183381.db2.gz DRNLAMISAJXBPN-GFCCVEGCSA-N -1 3 341.440 3.573 20 0 EHADHM FCc1ccc(CSCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000826370394 609184133 /nfs/dbraw/zinc/18/41/33/609184133.db2.gz QKKPVUGMJAMMRK-UHFFFAOYSA-N -1 3 332.379 3.909 20 0 EHADHM FCc1ccc(CSCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826370394 609184134 /nfs/dbraw/zinc/18/41/34/609184134.db2.gz QKKPVUGMJAMMRK-UHFFFAOYSA-N -1 3 332.379 3.909 20 0 EHADHM CCOc1ccccc1N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000825653535 609237135 /nfs/dbraw/zinc/23/71/35/609237135.db2.gz DSHUUULHKNIOSL-MRXNPFEDSA-N -1 3 335.411 3.755 20 0 EHADHM CCOc1ccccc1N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000825653535 609237137 /nfs/dbraw/zinc/23/71/37/609237137.db2.gz DSHUUULHKNIOSL-MRXNPFEDSA-N -1 3 335.411 3.755 20 0 EHADHM CCc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1F ZINC000825716777 609249157 /nfs/dbraw/zinc/24/91/57/609249157.db2.gz AYBXMHYYAXCIHC-SNVBAGLBSA-N -1 3 329.354 3.880 20 0 EHADHM CCc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1F ZINC000825716777 609249159 /nfs/dbraw/zinc/24/91/59/609249159.db2.gz AYBXMHYYAXCIHC-SNVBAGLBSA-N -1 3 329.354 3.880 20 0 EHADHM C[C@H](Nc1cccc2ccncc21)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824663055 609279968 /nfs/dbraw/zinc/27/99/68/609279968.db2.gz VNLCWFFHKVSQNH-NSHDSACASA-N -1 3 334.358 3.727 20 0 EHADHM CC1(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCCCCC1 ZINC000824784260 609283629 /nfs/dbraw/zinc/28/36/29/609283629.db2.gz QCEWWIKBRDBKLR-UHFFFAOYSA-N -1 3 333.823 3.819 20 0 EHADHM CC1(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCCCCC1 ZINC000824784260 609283630 /nfs/dbraw/zinc/28/36/30/609283630.db2.gz QCEWWIKBRDBKLR-UHFFFAOYSA-N -1 3 333.823 3.819 20 0 EHADHM C[C@@H](N[C@@H](C)c1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824531028 609324002 /nfs/dbraw/zinc/32/40/02/609324002.db2.gz OBKKIEDNUGXFOL-ZJUUUORDSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@@H](N[C@@H](C)c1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000824531028 609324004 /nfs/dbraw/zinc/32/40/04/609324004.db2.gz OBKKIEDNUGXFOL-ZJUUUORDSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@H](Nc1cccc(OC(F)F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824663167 609346457 /nfs/dbraw/zinc/34/64/57/609346457.db2.gz WAVCJRNXPAAMMG-VIFPVBQESA-N -1 3 349.316 3.780 20 0 EHADHM C[C@H](Nc1cccc(OC(F)F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824663167 609346458 /nfs/dbraw/zinc/34/64/58/609346458.db2.gz WAVCJRNXPAAMMG-VIFPVBQESA-N -1 3 349.316 3.780 20 0 EHADHM C[C@H](Nc1ccc2c(c1)CCCO2)c1ccc(-c2nnn[n-]2)cc1F ZINC000824658086 609349290 /nfs/dbraw/zinc/34/92/90/609349290.db2.gz VDBIZYIKIRWYJH-NSHDSACASA-N -1 3 339.374 3.504 20 0 EHADHM C[C@H](Nc1ccc2c(c1)CCCO2)c1ccc(-c2nn[n-]n2)cc1F ZINC000824658086 609349292 /nfs/dbraw/zinc/34/92/92/609349292.db2.gz VDBIZYIKIRWYJH-NSHDSACASA-N -1 3 339.374 3.504 20 0 EHADHM Cc1ccc(CNc2cc(-c3nnn[n-]3)ccc2OC(C)C)s1 ZINC000826288869 609478282 /nfs/dbraw/zinc/47/82/82/609478282.db2.gz ZWXHWVASLMAXET-UHFFFAOYSA-N -1 3 329.429 3.636 20 0 EHADHM Cc1ccc(CNc2cc(-c3nn[n-]n3)ccc2OC(C)C)s1 ZINC000826288869 609478285 /nfs/dbraw/zinc/47/82/85/609478285.db2.gz ZWXHWVASLMAXET-UHFFFAOYSA-N -1 3 329.429 3.636 20 0 EHADHM Cc1cccc(-c2ccc(CNCc3ccc(-c4nnn[n-]4)o3)cc2)c1 ZINC000826295650 609489458 /nfs/dbraw/zinc/48/94/58/609489458.db2.gz RIAXTBPVKPLOSV-UHFFFAOYSA-N -1 3 345.406 3.725 20 0 EHADHM CC[C@H](C)[C@H](C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000825051868 609522856 /nfs/dbraw/zinc/52/28/56/609522856.db2.gz TZIKCVFYCZXRDB-GJZGRUSLSA-N -1 3 343.475 3.534 20 0 EHADHM CC[C@H](C)[C@H](C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000825051868 609522858 /nfs/dbraw/zinc/52/28/58/609522858.db2.gz TZIKCVFYCZXRDB-GJZGRUSLSA-N -1 3 343.475 3.534 20 0 EHADHM Cc1cccc([C@H]2CCCN2c2nccc(C)c2-c2nnn[n-]2)c1C ZINC000826297706 609558480 /nfs/dbraw/zinc/55/84/80/609558480.db2.gz PKAGJSPXTNXPGU-MRXNPFEDSA-N -1 3 334.427 3.528 20 0 EHADHM Cc1cccc([C@H]2CCCN2c2nccc(C)c2-c2nn[n-]n2)c1C ZINC000826297706 609558483 /nfs/dbraw/zinc/55/84/83/609558483.db2.gz PKAGJSPXTNXPGU-MRXNPFEDSA-N -1 3 334.427 3.528 20 0 EHADHM CCOCCC1(CNc2c(Cl)cccc2-c2nnn[n-]2)CCC1 ZINC000821374319 945686945 /nfs/dbraw/zinc/68/69/45/945686945.db2.gz UZXJGUDSHGKIND-UHFFFAOYSA-N -1 3 335.839 3.529 20 0 EHADHM CCOCCC1(CNc2c(Cl)cccc2-c2nn[n-]n2)CCC1 ZINC000821374319 945686949 /nfs/dbraw/zinc/68/69/49/945686949.db2.gz UZXJGUDSHGKIND-UHFFFAOYSA-N -1 3 335.839 3.529 20 0 EHADHM COc1ccccc1C[C@@H](C)N(C)Cc1ccc(C(=O)[O-])cc1F ZINC000325219828 971194026 /nfs/dbraw/zinc/19/40/26/971194026.db2.gz QABOHYMFMXZDDP-CYBMUJFWSA-N -1 3 331.387 3.596 20 0 EHADHM FC(F)(F)CCc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822718543 946162950 /nfs/dbraw/zinc/16/29/50/946162950.db2.gz MKHIXEJDQZVUEU-UHFFFAOYSA-N -1 3 347.344 3.974 20 0 EHADHM FC(F)(F)CCc1ccccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822718543 946162956 /nfs/dbraw/zinc/16/29/56/946162956.db2.gz MKHIXEJDQZVUEU-UHFFFAOYSA-N -1 3 347.344 3.974 20 0 EHADHM CC(C)CCOCCSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000824249219 946633599 /nfs/dbraw/zinc/63/35/99/946633599.db2.gz LLSKTCXPXFRBIR-UHFFFAOYSA-N -1 3 326.853 3.675 20 0 EHADHM CC(C)CCOCCSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000824249219 946633603 /nfs/dbraw/zinc/63/36/03/946633603.db2.gz LLSKTCXPXFRBIR-UHFFFAOYSA-N -1 3 326.853 3.675 20 0 EHADHM C[C@@H](NC(=O)C(C)(C)C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824470709 946721996 /nfs/dbraw/zinc/72/19/96/946721996.db2.gz LDNLUGJURQJVFG-CYBMUJFWSA-N -1 3 349.438 3.757 20 0 EHADHM C[C@@H](NC(=O)C(C)(C)C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824470709 946722001 /nfs/dbraw/zinc/72/20/01/946722001.db2.gz LDNLUGJURQJVFG-CYBMUJFWSA-N -1 3 349.438 3.757 20 0 EHADHM C[C@H](NCc1ccccc1Cl)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824627112 946873678 /nfs/dbraw/zinc/87/36/78/946873678.db2.gz USDQYPBNPGNLSP-JTQLQIEISA-N -1 3 331.782 3.510 20 0 EHADHM CCOc1ccc(CSc2cccc(Cl)c2-c2nnn[n-]2)nc1 ZINC000825638323 947267368 /nfs/dbraw/zinc/26/73/68/947267368.db2.gz JRVMVXKCOULUHF-UHFFFAOYSA-N -1 3 347.831 3.606 20 0 EHADHM CCOc1ccc(CSc2cccc(Cl)c2-c2nn[n-]n2)nc1 ZINC000825638323 947267384 /nfs/dbraw/zinc/26/73/84/947267384.db2.gz JRVMVXKCOULUHF-UHFFFAOYSA-N -1 3 347.831 3.606 20 0 EHADHM CSCCCSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826229086 947671312 /nfs/dbraw/zinc/67/13/12/947671312.db2.gz OGDYIADINDVIIJ-UHFFFAOYSA-N -1 3 334.392 3.731 20 0 EHADHM CSCCCSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826229086 947671316 /nfs/dbraw/zinc/67/13/16/947671316.db2.gz OGDYIADINDVIIJ-UHFFFAOYSA-N -1 3 334.392 3.731 20 0 EHADHM Cc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c(Cl)c1C ZINC000826282551 947813592 /nfs/dbraw/zinc/81/35/92/947813592.db2.gz UGMPZMMMBYWCQM-UHFFFAOYSA-N -1 3 341.802 3.698 20 0 EHADHM Cc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c(Cl)c1C ZINC000826282551 947813599 /nfs/dbraw/zinc/81/35/99/947813599.db2.gz UGMPZMMMBYWCQM-UHFFFAOYSA-N -1 3 341.802 3.698 20 0 EHADHM Cc1nc(-c2cccc(NCc3ccc(-c4nnn[n-]4)cc3)c2)cs1 ZINC000826322770 947944811 /nfs/dbraw/zinc/94/48/11/947944811.db2.gz AVUIURLEPMYOON-UHFFFAOYSA-N -1 3 348.435 3.911 20 0 EHADHM Cc1nc(-c2cccc(NCc3ccc(-c4nn[n-]n4)cc3)c2)cs1 ZINC000826322770 947944819 /nfs/dbraw/zinc/94/48/19/947944819.db2.gz AVUIURLEPMYOON-UHFFFAOYSA-N -1 3 348.435 3.911 20 0 EHADHM CC[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1)C1CCC(C)CC1 ZINC001464616926 948530706 /nfs/dbraw/zinc/53/07/06/948530706.db2.gz CMCYLECDRRFZCI-SEEARECTSA-N -1 3 327.432 3.658 20 0 EHADHM CC[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)C1CCC(C)CC1 ZINC001464616926 948530716 /nfs/dbraw/zinc/53/07/16/948530716.db2.gz CMCYLECDRRFZCI-SEEARECTSA-N -1 3 327.432 3.658 20 0 EHADHM CC(C)c1ccc2occ(C(=O)Oc3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC001574417049 948761664 /nfs/dbraw/zinc/76/16/64/948761664.db2.gz KFBMFCSACKPJFW-UHFFFAOYSA-N -1 3 348.362 3.956 20 0 EHADHM CC(C)c1ccc2occ(C(=O)Oc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC001574417049 948761674 /nfs/dbraw/zinc/76/16/74/948761674.db2.gz KFBMFCSACKPJFW-UHFFFAOYSA-N -1 3 348.362 3.956 20 0 EHADHM C[C@H](C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@H](C)C(C)(C)C ZINC001573755422 948766544 /nfs/dbraw/zinc/76/65/44/948766544.db2.gz DPAHIXPXAJUJCZ-UWVGGRQHSA-N -1 3 335.839 3.777 20 0 EHADHM C[C@H](C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@H](C)C(C)(C)C ZINC001573755422 948766552 /nfs/dbraw/zinc/76/65/52/948766552.db2.gz DPAHIXPXAJUJCZ-UWVGGRQHSA-N -1 3 335.839 3.777 20 0 EHADHM C[C@@H](c1cccc(Br)c1)N1CCC[C@H](CC(=O)[O-])C1 ZINC000086756918 949063743 /nfs/dbraw/zinc/06/37/43/949063743.db2.gz NCLXCEOADQZJOA-NWDGAFQWSA-N -1 3 326.234 3.697 20 0 EHADHM C[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1)c1ccccc1 ZINC001574520057 950711563 /nfs/dbraw/zinc/71/15/63/950711563.db2.gz KWACGTJIQDJLRD-ZDUSSCGKSA-N -1 3 347.422 3.876 20 0 EHADHM C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1)c1ccccc1 ZINC001574520057 950711576 /nfs/dbraw/zinc/71/15/76/950711576.db2.gz KWACGTJIQDJLRD-ZDUSSCGKSA-N -1 3 347.422 3.876 20 0 EHADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(NC[C@H]2CCCC2(C)C)n1 ZINC001573881811 950754152 /nfs/dbraw/zinc/75/41/52/950754152.db2.gz HWDQHNXDOOZOOQ-GFCCVEGCSA-N -1 3 328.464 3.797 20 0 EHADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(NC[C@H]2CCCC2(C)C)n1 ZINC001573881811 950754167 /nfs/dbraw/zinc/75/41/67/950754167.db2.gz HWDQHNXDOOZOOQ-GFCCVEGCSA-N -1 3 328.464 3.797 20 0 EHADHM C[C@@H]1CCc2nc(CN3CCC[C@@H](C(C)(C)C(=O)[O-])C3)sc2C1 ZINC001350600166 962544699 /nfs/dbraw/zinc/54/46/99/962544699.db2.gz NRKFTHSEWOPUBZ-CHWSQXEVSA-N -1 3 336.501 3.591 20 0 EHADHM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000263342539 1125483748 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Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000120390532 1022463483 /nfs/dbraw/zinc/46/34/83/1022463483.db2.gz CWBGZTHOBUYFFK-UHFFFAOYSA-N -1 3 331.437 3.854 20 0 EHADHM O=C(NCc1ncccc1[O-])NCC1CCC(c2ccccc2)CC1 ZINC000471853495 1022594484 /nfs/dbraw/zinc/59/44/84/1022594484.db2.gz RKRAOGNTYSYUJA-UHFFFAOYSA-N -1 3 339.439 3.560 20 0 EHADHM C[C@@H](C(=O)[O-])[C@H](C)NCc1csc(Cc2ccc(Cl)cc2)n1 ZINC000567055162 1022705567 /nfs/dbraw/zinc/70/55/67/1022705567.db2.gz QBCFTIJBPCOUSF-MNOVXSKESA-N -1 3 338.860 3.586 20 0 EHADHM CC(=O)c1ccc(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)cc1[O-] ZINC000331320174 1022787365 /nfs/dbraw/zinc/78/73/65/1022787365.db2.gz DVXSTXGUGXAPJD-LRDDRELGSA-N -1 3 341.382 3.752 20 0 EHADHM CC(=O)c1ccc(-c2ccc(C(=O)Nc3nc(C)ccc3[O-])o2)cc1 ZINC000345986778 1022794532 /nfs/dbraw/zinc/79/45/32/1022794532.db2.gz OKJWMCSPGICBLJ-UHFFFAOYSA-N -1 3 336.347 3.811 20 0 EHADHM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1c([O-])cccc1O ZINC000438579583 1022810455 /nfs/dbraw/zinc/81/04/55/1022810455.db2.gz DLRWHGCLHZFRBX-JOYOIKCWSA-N -1 3 338.190 3.691 20 0 EHADHM COc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)cc1 ZINC000476247035 1033082827 /nfs/dbraw/zinc/08/28/27/1033082827.db2.gz BNRSQPLQTHJURC-UHFFFAOYSA-N -1 3 345.342 3.823 20 0 EHADHM CC(C)c1ccc([C@@H](C)CC(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cc1 ZINC000473847257 1022949801 /nfs/dbraw/zinc/94/98/01/1022949801.db2.gz CXFCMCONIRZWHQ-KBXCAEBGSA-N -1 3 341.455 3.939 20 0 EHADHM O=C([O-])[C@H](CNCc1c(F)cccc1F)Cc1ccccc1Cl ZINC000426701866 1022972784 /nfs/dbraw/zinc/97/27/84/1022972784.db2.gz BKIVRRHVSWTHJK-LBPRGKRZSA-N -1 3 339.769 3.651 20 0 EHADHM O=C([O-])Cc1ccccc1CNCc1cc(F)cc(C(F)(F)F)c1 ZINC000426692989 1022978507 /nfs/dbraw/zinc/97/85/07/1022978507.db2.gz XDRBFJARFMKWSP-UHFFFAOYSA-N -1 3 341.304 3.761 20 0 EHADHM O=C([O-])C[C@H](NCc1ccc(Br)cc1)c1ccsc1 ZINC000426693278 1022979714 /nfs/dbraw/zinc/97/97/14/1022979714.db2.gz CFZFRYPSGLQPDP-ZDUSSCGKSA-N -1 3 340.242 3.816 20 0 EHADHM Cc1cccc(CN[C@@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)c1C ZINC000426721867 1022988350 /nfs/dbraw/zinc/98/83/50/1022988350.db2.gz DPIOQVJFIFSZTB-FQEVSTJZSA-N -1 3 349.434 3.795 20 0 EHADHM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1 ZINC000438798761 1023004192 /nfs/dbraw/zinc/00/41/92/1023004192.db2.gz VCTCCYXQJFBGQR-UHFFFAOYSA-N -1 3 339.363 3.604 20 0 EHADHM C[C@H](c1ccsc1)N1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000438824157 1023041909 /nfs/dbraw/zinc/04/19/09/1023041909.db2.gz BJTAHQFWGMLATL-GFCCVEGCSA-N -1 3 338.423 3.611 20 0 EHADHM COc1ccccc1[C@@H](NCc1cccc(-c2ccncc2)c1)C(=O)[O-] ZINC000426783755 1023043326 /nfs/dbraw/zinc/04/33/26/1023043326.db2.gz NJKANBIDDODCRA-HXUWFJFHSA-N -1 3 348.402 3.673 20 0 EHADHM Cn1cnc2cc(CN[C@@H](CC(=O)[O-])c3cccc(Cl)c3)ccc21 ZINC000426816663 1023063592 /nfs/dbraw/zinc/06/35/92/1023063592.db2.gz LNWIXNRHXJGJBU-HNNXBMFYSA-N -1 3 343.814 3.532 20 0 EHADHM O=C([O-])C[C@@H](NCc1ccsc1)c1cccc(Br)c1 ZINC000426821665 1023066689 /nfs/dbraw/zinc/06/66/89/1023066689.db2.gz VTNZAGDSYUCNBV-CYBMUJFWSA-N -1 3 340.242 3.816 20 0 EHADHM O=C([O-])[C@H](NCc1ccc(OCC2CC2)cc1)c1cccc(F)c1 ZINC000426830291 1023072875 /nfs/dbraw/zinc/07/28/75/1023072875.db2.gz XBBJXUWZTHLYRT-GOSISDBHSA-N -1 3 329.371 3.530 20 0 EHADHM Cc1cc(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CC2)sc1Cl ZINC000473851470 1023141538 /nfs/dbraw/zinc/14/15/38/1023141538.db2.gz BSSOXMLVWPOWGY-UHFFFAOYSA-N -1 3 345.848 3.817 20 0 EHADHM C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(Cl)cn1 ZINC000507191249 1023183244 /nfs/dbraw/zinc/18/32/44/1023183244.db2.gz YHCZEBMXSOAEHV-LLVKDONJSA-N -1 3 336.794 3.780 20 0 EHADHM C[C@@H](Cc1ccccc1F)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000507284909 1023231832 /nfs/dbraw/zinc/23/18/32/1023231832.db2.gz OYIHRMHKYYXHKO-JTQLQIEISA-N -1 3 345.798 3.528 20 0 EHADHM Cc1nc(CC2CC2)oc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476310930 1033128766 /nfs/dbraw/zinc/12/87/66/1033128766.db2.gz OWPJOYQXLLBQTG-UHFFFAOYSA-N -1 3 340.301 3.912 20 0 EHADHM O=C(c1ccc([O-])cc1)C1CCN(c2cc[nH+]c3c([O-])cccc23)CC1 ZINC000684577552 1023489125 /nfs/dbraw/zinc/48/91/25/1023489125.db2.gz DOUAISKMFBGQDX-UHFFFAOYSA-N -1 3 348.402 3.745 20 0 EHADHM COc1cc(CN[C@H](C(=O)[O-])c2ccc(C)cc2)ccc1SC ZINC000277000784 1023670477 /nfs/dbraw/zinc/67/04/77/1023670477.db2.gz LDNSCRGZTNXHDU-KRWDZBQOSA-N -1 3 331.437 3.641 20 0 EHADHM Cc1cccc2cc(S(=O)(=O)[N-]C[C@@]3(C)CC3(F)F)sc21 ZINC000657154936 1023786284 /nfs/dbraw/zinc/78/62/84/1023786284.db2.gz FMSQAEKGSWHVGH-CYBMUJFWSA-N -1 3 331.409 3.533 20 0 EHADHM CCCCOc1ccc(C(=O)N(CC)Cc2ccccn2)c([O-])c1 ZINC000190600407 1023964614 /nfs/dbraw/zinc/96/46/14/1023964614.db2.gz SUEMVWRNHOTNKW-UHFFFAOYSA-N -1 3 328.412 3.628 20 0 EHADHM Cc1nnsc1[C@@H](C)OC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000909507994 1024035717 /nfs/dbraw/zinc/03/57/17/1024035717.db2.gz AQTLLNQRCIPOKN-SSDOTTSWSA-N -1 3 338.339 3.578 20 0 EHADHM Cc1ccc(CN(CC(=O)[O-])CC(C)(C)C)c(Br)c1 ZINC000665350222 1024138474 /nfs/dbraw/zinc/13/84/74/1024138474.db2.gz IDFABOHVUOSMRI-UHFFFAOYSA-N -1 3 328.250 3.690 20 0 EHADHM CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469636747 1024190170 /nfs/dbraw/zinc/19/01/70/1024190170.db2.gz BYAGODUZXWZSED-WMZOPIPTSA-N -1 3 337.435 3.564 20 0 EHADHM CC[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000022279683 1024191724 /nfs/dbraw/zinc/19/17/24/1024191724.db2.gz WCYRWKUXQBCNSH-NSHDSACASA-N -1 3 329.874 3.874 20 0 EHADHM CC[C@@H](C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1)c1c(C)noc1C ZINC000342143713 1024236041 /nfs/dbraw/zinc/23/60/41/1024236041.db2.gz AXGJNTSGJZRKLO-CQSZACIVSA-N -1 3 338.411 3.544 20 0 EHADHM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2ccc(F)cc2Cl)o1 ZINC000614622799 1024269343 /nfs/dbraw/zinc/26/93/43/1024269343.db2.gz WZQDPPZNLXVYAU-SKDRFNHKSA-N -1 3 343.807 3.674 20 0 EHADHM COCCC[C@@H](Cc1ccccc1)NC(=O)c1cc([O-])ccc1Cl ZINC000509991644 1024334087 /nfs/dbraw/zinc/33/40/87/1024334087.db2.gz IFAMFDSKYKHOHG-HNNXBMFYSA-N -1 3 347.842 3.813 20 0 EHADHM Cc1cnc([C@H](NC(=O)CCCc2ccc([O-])c(F)c2)C2CC2)s1 ZINC000346111858 1024410752 /nfs/dbraw/zinc/41/07/52/1024410752.db2.gz SZEZKOMIZSHYGN-QGZVFWFLSA-N -1 3 348.443 3.886 20 0 EHADHM CCCCC[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000664454324 1024471641 /nfs/dbraw/zinc/47/16/41/1024471641.db2.gz NWUNAGLNTQTCJK-CQSZACIVSA-N -1 3 343.427 3.537 20 0 EHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)c(C)c1 ZINC000761280065 1033218923 /nfs/dbraw/zinc/21/89/23/1033218923.db2.gz LLNVMKFUAINKGQ-UHFFFAOYSA-N -1 3 341.436 3.803 20 0 EHADHM Cc1ccc(-n2ncc([N-]S(=O)(=O)CCC3CC3)c2C(C)C)cc1 ZINC000514768190 1024729136 /nfs/dbraw/zinc/72/91/36/1024729136.db2.gz DJGCDQNKIQIIOY-UHFFFAOYSA-N -1 3 347.484 3.846 20 0 EHADHM CO[C@H]1CCC[C@H](CC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)C1 ZINC000281283225 1024847869 /nfs/dbraw/zinc/84/78/69/1024847869.db2.gz SDFCAJFDIVATMO-ZFWWWQNUSA-N -1 3 345.361 3.849 20 0 EHADHM CCc1cnccc1[C@@H](C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000346578042 1024915133 /nfs/dbraw/zinc/91/51/33/1024915133.db2.gz ANRKIYICXWJYSV-CYBMUJFWSA-N -1 3 330.403 3.689 20 0 EHADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc3ccccc3c2)o1 ZINC000435435667 1024922473 /nfs/dbraw/zinc/92/24/73/1024922473.db2.gz BOSHFRKPTHPUFN-DLBZAZTESA-N -1 3 327.405 3.576 20 0 EHADHM Cc1nc2cc(NC(=O)CCCc3ccc([O-])c(F)c3)ccc2[nH]1 ZINC000344508211 1024989532 /nfs/dbraw/zinc/98/95/32/1024989532.db2.gz DOUGCSGOLWKCIR-UHFFFAOYSA-N -1 3 327.359 3.677 20 0 EHADHM O=C(NCc1nc2ccccc2n1C1CC1)c1cc([O-])ccc1Cl ZINC000346701248 1025024857 /nfs/dbraw/zinc/02/48/57/1025024857.db2.gz RWIIVOBGMBJLBA-UHFFFAOYSA-N -1 3 341.798 3.660 20 0 EHADHM Cc1ncc(CN[C@@H](c2cc3ccccc3o2)c2cccnc2)c(=O)[n-]1 ZINC000346805890 1025127254 /nfs/dbraw/zinc/12/72/54/1025127254.db2.gz ZXBGMUKUHXHHFX-LJQANCHMSA-N -1 3 346.390 3.511 20 0 EHADHM Cc1ccc(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c(C2CC2)n1 ZINC000515296933 1025158433 /nfs/dbraw/zinc/15/84/33/1025158433.db2.gz CURIAGHRLWNXOB-UHFFFAOYSA-N -1 3 332.407 3.640 20 0 EHADHM O=S(=O)(CCc1ccccc1)[N-]c1cc(Cl)cc(F)c1F ZINC000442222416 1025220791 /nfs/dbraw/zinc/22/07/91/1025220791.db2.gz NDSUEHSBETVIDK-UHFFFAOYSA-N -1 3 331.771 3.603 20 0 EHADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1 ZINC000442238270 1025222123 /nfs/dbraw/zinc/22/21/23/1025222123.db2.gz QUHQIYIZAFDNKX-UHFFFAOYSA-N -1 3 345.754 3.622 20 0 EHADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000346998386 1025374487 /nfs/dbraw/zinc/37/44/87/1025374487.db2.gz SFLVPEXDSLUOQQ-SNVBAGLBSA-N -1 3 337.753 3.954 20 0 EHADHM CC(C)CC1(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000442632653 1025403752 /nfs/dbraw/zinc/40/37/52/1025403752.db2.gz FLGNZRXEQQBOOJ-UHFFFAOYSA-N -1 3 326.234 3.597 20 0 EHADHM Cc1cc[nH]c1C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000436177788 1025450091 /nfs/dbraw/zinc/45/00/91/1025450091.db2.gz GKUSHAPOUIRVMJ-UHFFFAOYSA-N -1 3 335.194 3.694 20 0 EHADHM CO[C@@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])[C@H](C)C1 ZINC000442892964 1025573485 /nfs/dbraw/zinc/57/34/85/1025573485.db2.gz FZAGOVHSLRVMPL-CRAIPNDOSA-N -1 3 339.435 3.623 20 0 EHADHM CN1CCCN(C(=O)c2cc3c(cc2[O-])CCCC3)c2ccccc21 ZINC000436529880 1025835926 /nfs/dbraw/zinc/83/59/26/1025835926.db2.gz PJPRQTYOUPGNKQ-UHFFFAOYSA-N -1 3 336.435 3.758 20 0 EHADHM C[C@@H](NC(=O)c1ccccc1[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000436534371 1025845978 /nfs/dbraw/zinc/84/59/78/1025845978.db2.gz OUDIHJXOQCDTOX-LLVKDONJSA-N -1 3 339.313 3.824 20 0 EHADHM CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(C)cc2[O-])c(C)c1 ZINC000436552980 1025856838 /nfs/dbraw/zinc/85/68/38/1025856838.db2.gz YSGCEBFRNRXUSM-CQSZACIVSA-N -1 3 340.423 3.790 20 0 EHADHM CCCCOc1ccc(C(=O)N(C)Cc2csc(CC)n2)c([O-])c1 ZINC000530459752 1025874849 /nfs/dbraw/zinc/87/48/49/1025874849.db2.gz RXOBOEKMHUDHMO-UHFFFAOYSA-N -1 3 348.468 3.862 20 0 EHADHM CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(C(C)=O)c2[O-])c1C(C)C ZINC000522004803 1025877152 /nfs/dbraw/zinc/87/71/52/1025877152.db2.gz MOJHXDDUIJTUOC-UHFFFAOYSA-N -1 3 342.395 3.810 20 0 EHADHM CC(C)c1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)c([O-])c1 ZINC000436565324 1025894015 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Cc1sc2[n-]c([C@H](C)OC(=O)[C@@H]3C[C@@H]3[C@@H]3C[C@H]3C)nc(=O)c2c1C ZINC000869886770 1137470698 /nfs/dbraw/zinc/47/06/98/1137470698.db2.gz AMCXKFAXVRZKRT-YBHTYTBLSA-N -1 3 346.452 3.910 20 0 EHADHM Cc1ccc(C)c(C(=O)CCC(=O)[N-]OCCCC(F)(F)F)c1 ZINC000871209920 1137527322 /nfs/dbraw/zinc/52/73/22/1137527322.db2.gz LTXXFGYMNOZOGL-UHFFFAOYSA-N -1 3 331.334 3.657 20 0 EHADHM COc1ccc(C(=O)[O-])c2c1CN(C[C@@H](C)Cc1ccccc1)CC2 ZINC000871621205 1137549633 /nfs/dbraw/zinc/54/96/33/1137549633.db2.gz WIHYOBUEKNMJND-HNNXBMFYSA-N -1 3 339.435 3.630 20 0 EHADHM O=C([O-])[C@]12CCC[C@H]1N(Cc1csc(Cc3ccccc3)n1)CC2 ZINC000872169404 1137575054 /nfs/dbraw/zinc/57/50/54/1137575054.db2.gz ODXDGUWNSYTVPW-APWZRJJASA-N -1 3 342.464 3.563 20 0 EHADHM C[C@]1(C(F)(F)F)CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000874475974 1137614945 /nfs/dbraw/zinc/61/49/45/1137614945.db2.gz VMBHADHYQHYHAK-LBPRGKRZSA-N -1 3 341.251 3.826 20 0 EHADHM O=C1[N-]C(=O)C(=Cc2ccccc2OCc2ccc(F)cc2F)S1 ZINC000874929602 1137626457 /nfs/dbraw/zinc/62/64/57/1137626457.db2.gz IYFGWVUHIUKVSA-VIZOYTHASA-N -1 3 347.342 3.868 20 0 EHADHM CS[C@H]1CC[C@H](NC(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC001137116036 1137669732 /nfs/dbraw/zinc/66/97/32/1137669732.db2.gz OGYONYSCAQYEKZ-IRXDYDNUSA-N -1 3 341.476 3.997 20 0 EHADHM [O-]c1ccccc1-c1nnc(CN(Cc2cccc(F)c2)C2CC2)o1 ZINC000877977012 1137697926 /nfs/dbraw/zinc/69/79/26/1137697926.db2.gz UTHKEIMFJAUIPZ-UHFFFAOYSA-N -1 3 339.370 3.746 20 0 EHADHM CC(C)N(Cc1nnc(-c2ccccc2[O-])o1)Cc1ccccc1F ZINC000878005089 1137699226 /nfs/dbraw/zinc/69/92/26/1137699226.db2.gz HNEJJXAWVVPGID-UHFFFAOYSA-N -1 3 341.386 3.992 20 0 EHADHM [O-]c1ccccc1-c1nnc(CN2CCC3(CCSCC3)CC2)o1 ZINC000879200097 1137741018 /nfs/dbraw/zinc/74/10/18/1137741018.db2.gz FWNDDFWJWZDWJA-UHFFFAOYSA-N -1 3 345.468 3.551 20 0 EHADHM Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc2ccsc2[n-]1 ZINC000023345589 1137748763 /nfs/dbraw/zinc/74/87/63/1137748763.db2.gz IWDDPQPWFKFVFD-UHFFFAOYSA-N -1 3 348.811 3.987 20 0 EHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000881164591 1137802161 /nfs/dbraw/zinc/80/21/61/1137802161.db2.gz ZHISKEJYHUDENP-RYUDHWBXSA-N -1 3 336.285 3.839 20 0 EHADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000881164591 1137802162 /nfs/dbraw/zinc/80/21/62/1137802162.db2.gz ZHISKEJYHUDENP-RYUDHWBXSA-N -1 3 336.285 3.839 20 0 EHADHM Cc1sc2ncnc(S[C@H](C)c3nc(C)cc(=O)[n-]3)c2c1C ZINC000331820002 1137921955 /nfs/dbraw/zinc/92/19/55/1137921955.db2.gz PUCCKIDWAUSPMY-SNVBAGLBSA-N -1 3 332.454 3.965 20 0 EHADHM CC(C)c1ccc(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)c([O-])c1 ZINC000332028973 1137929040 /nfs/dbraw/zinc/92/90/40/1137929040.db2.gz ZBNRLQHWUVDDFI-FUHWJXTLSA-N -1 3 343.398 3.603 20 0 EHADHM C[C@@H](CC(=O)[N-]OC1CCCC1)c1ccc(Br)cc1 ZINC000135135658 1137964117 /nfs/dbraw/zinc/96/41/17/1137964117.db2.gz JOGKFPUNOJKPHI-NSHDSACASA-N -1 3 326.234 3.933 20 0 EHADHM CCCCOC(=O)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000046438707 1138041690 /nfs/dbraw/zinc/04/16/90/1138041690.db2.gz KBGGRMHQYSXOIQ-UHFFFAOYSA-N -1 3 342.420 3.537 20 0 EHADHM Cc1ccccc1S(=O)(=O)[N-]c1c(F)cccc1N1CCCC1 ZINC000127289262 1138352762 /nfs/dbraw/zinc/35/27/62/1138352762.db2.gz QULBCESRYAROON-UHFFFAOYSA-N -1 3 334.416 3.535 20 0 EHADHM CSc1ccccc1[C@@H](C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000337533817 1138597576 /nfs/dbraw/zinc/59/75/76/1138597576.db2.gz FVFGRPVISCQLHL-GFCCVEGCSA-N -1 3 338.432 3.741 20 0 EHADHM C[C@@H](O)C[C@@H]1CCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000179949622 1139795960 /nfs/dbraw/zinc/79/59/60/1139795960.db2.gz YCKQXYSGNSFWLX-CABCVRRESA-N -1 3 341.407 3.560 20 0 EHADHM CC(C)c1c(NC([O-])=NO[C@H]2CCCCO2)cnn1-c1ccccc1 ZINC000192343716 1140524661 /nfs/dbraw/zinc/52/46/61/1140524661.db2.gz CRTKEGLDXAJXRV-INIZCTEOSA-N -1 3 344.415 3.575 20 0 EHADHM CC(C)c1c(NC(=O)[N-]O[C@H]2CCCCO2)cnn1-c1ccccc1 ZINC000192343716 1140524669 /nfs/dbraw/zinc/52/46/69/1140524669.db2.gz CRTKEGLDXAJXRV-INIZCTEOSA-N -1 3 344.415 3.575 20 0 EHADHM Cc1cccnc1C(F)(F)C(=O)[N-]Cc1cccc(C(F)(F)F)c1 ZINC000195289747 1140635008 /nfs/dbraw/zinc/63/50/08/1140635008.db2.gz MOTJZEZQGKWPPT-UHFFFAOYSA-N -1 3 344.283 3.817 20 0 EHADHM Cc1csc([C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C2CC2)n1 ZINC000266212686 1140656212 /nfs/dbraw/zinc/65/62/12/1140656212.db2.gz PIVBHSBOOHDOOF-MRXNPFEDSA-N -1 3 339.420 3.586 20 0 EHADHM Cn1cccc1[C@H]1CCCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000266962545 1140743900 /nfs/dbraw/zinc/74/39/00/1140743900.db2.gz UQVNRHWHAFDQLZ-GOSISDBHSA-N -1 3 335.407 3.646 20 0 EHADHM Cc1cc([C@@H](C)NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)ccc1F ZINC000267834762 1140841596 /nfs/dbraw/zinc/84/15/96/1140841596.db2.gz LFNGWXZTNDCQPJ-LLVKDONJSA-N -1 3 345.418 3.727 20 0 EHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N(CCC(F)(F)F)CC1CC1 ZINC000267861159 1140844040 /nfs/dbraw/zinc/84/40/40/1140844040.db2.gz SCSDSPOYPSJBAO-UHFFFAOYSA-N -1 3 338.329 3.745 20 0 EHADHM C/C(=C\c1ccncc1)C(=O)Nc1cc(Br)ccc1[O-] ZINC001295979804 1141308536 /nfs/dbraw/zinc/30/85/36/1141308536.db2.gz SWQHWZRJEUOXEH-CSKARUKUSA-N -1 3 333.185 3.592 20 0 EHADHM C[C@H]1CN(c2ccc(NCc3cc([O-])cc(F)c3)cc2)C[C@H](C)O1 ZINC000274409345 1141519423 /nfs/dbraw/zinc/51/94/23/1141519423.db2.gz HSDHFYKILFNSDD-KBPBESRZSA-N -1 3 330.403 3.757 20 0 EHADHM O=C(Nc1ccccc1-c1ccccc1)c1ccc2[n-]c(=O)nc-2[nH]1 ZINC000339231436 1141536000 /nfs/dbraw/zinc/53/60/00/1141536000.db2.gz KIDLXYJEAJLJCJ-UHFFFAOYSA-N -1 3 330.347 3.583 20 0 EHADHM Cc1cc(=O)[nH]c2cc(C(=O)Nc3ccc(Cl)cc3[O-])ccc12 ZINC000349075637 1141633523 /nfs/dbraw/zinc/63/35/23/1141633523.db2.gz OSUJDJQSIWIFHK-UHFFFAOYSA-N -1 3 328.755 3.860 20 0 EHADHM CC(C)CCO[C@H](C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000068858591 215340653 /nfs/dbraw/zinc/34/06/53/215340653.db2.gz FGLLHIZSJUHZFC-SNVBAGLBSA-N -1 3 330.222 3.544 20 0 EHADHM COc1cc(C)c([C@@H](C)NC(=O)c2cc(C)ccc2[O-])cc1OC ZINC000097335171 219012496 /nfs/dbraw/zinc/01/24/96/219012496.db2.gz JXVMIIZOPHRNEW-CYBMUJFWSA-N -1 3 329.396 3.517 20 0 EHADHM CCCc1nnc([N-]C(=O)c2sccc2Br)s1 ZINC000042387928 521565565 /nfs/dbraw/zinc/56/55/65/521565565.db2.gz JOSQNGWMVSAJQL-UHFFFAOYSA-N -1 3 332.248 3.567 20 0 EHADHM O=C(NCCCc1ccc(Cl)cc1)c1cc(=O)c2ccccc2[n-]1 ZINC000069530551 564170229 /nfs/dbraw/zinc/17/02/29/564170229.db2.gz WQKKWKVPQNMTCG-UHFFFAOYSA-N -1 3 340.810 3.544 20 0 EHADHM CCSc1cccc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736668090 598876801 /nfs/dbraw/zinc/87/68/01/598876801.db2.gz VHIJRPHXSLCUPW-UHFFFAOYSA-N -1 3 340.412 3.623 20 0 EHADHM CCSc1cccc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736668090 598876803 /nfs/dbraw/zinc/87/68/03/598876803.db2.gz VHIJRPHXSLCUPW-UHFFFAOYSA-N -1 3 340.412 3.623 20 0 EHADHM Clc1cccc(NCc2nc3ccccc3s2)c1-c1nnn[n-]1 ZINC000822586002 599295703 /nfs/dbraw/zinc/29/57/03/599295703.db2.gz QIESGJOTRWPKQL-UHFFFAOYSA-N -1 3 342.815 3.742 20 0 EHADHM Clc1cccc(NCc2nc3ccccc3s2)c1-c1nn[n-]n1 ZINC000822586002 599295704 /nfs/dbraw/zinc/29/57/04/599295704.db2.gz QIESGJOTRWPKQL-UHFFFAOYSA-N -1 3 342.815 3.742 20 0 EHADHM CC1CCC(=CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000736236523 598925625 /nfs/dbraw/zinc/92/56/25/598925625.db2.gz KSYHLDDLQJRHCH-UHFFFAOYSA-N -1 3 331.807 3.595 20 0 EHADHM CC1CCC(=CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000736236523 598925627 /nfs/dbraw/zinc/92/56/27/598925627.db2.gz KSYHLDDLQJRHCH-UHFFFAOYSA-N -1 3 331.807 3.595 20 0 EHADHM Fc1ccc(Sc2ncc(-c3nnn[n-]3)cc2Cl)cc1Cl ZINC000737657522 598936790 /nfs/dbraw/zinc/93/67/90/598936790.db2.gz WQVJCCUAHONNDB-UHFFFAOYSA-N -1 3 342.186 3.859 20 0 EHADHM Fc1ccc(Sc2ncc(-c3nn[n-]n3)cc2Cl)cc1Cl ZINC000737657522 598936792 /nfs/dbraw/zinc/93/67/92/598936792.db2.gz WQVJCCUAHONNDB-UHFFFAOYSA-N -1 3 342.186 3.859 20 0 EHADHM Cc1sc(NC(=O)C(C)(C)c2cccs2)c(-c2nnn[n-]2)c1C ZINC000737564509 598980659 /nfs/dbraw/zinc/98/06/59/598980659.db2.gz VDYWYWGBMRKVCN-UHFFFAOYSA-N -1 3 347.469 3.523 20 0 EHADHM Cc1sc(NC(=O)C(C)(C)c2cccs2)c(-c2nn[n-]n2)c1C ZINC000737564509 598980661 /nfs/dbraw/zinc/98/06/61/598980661.db2.gz VDYWYWGBMRKVCN-UHFFFAOYSA-N -1 3 347.469 3.523 20 0 EHADHM CC[C@@H]1CCCC[C@@H]1Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736400135 599043888 /nfs/dbraw/zinc/04/38/88/599043888.db2.gz MEGIKTRCCFSXKT-KOLCDFICSA-N -1 3 340.353 3.661 20 0 EHADHM CC[C@@H]1CCCC[C@@H]1Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736400135 599043890 /nfs/dbraw/zinc/04/38/90/599043890.db2.gz MEGIKTRCCFSXKT-KOLCDFICSA-N -1 3 340.353 3.661 20 0 EHADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CC[C@@H](c3ccccc3)[C@H](C)C2)n1 ZINC000822191619 599051505 /nfs/dbraw/zinc/05/15/05/599051505.db2.gz MCFZRWRAYVZKSY-RHSMWYFYSA-N -1 3 348.454 3.509 20 0 EHADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CC[C@@H](c3ccccc3)[C@H](C)C2)n1 ZINC000822191619 599051508 /nfs/dbraw/zinc/05/15/08/599051508.db2.gz MCFZRWRAYVZKSY-RHSMWYFYSA-N -1 3 348.454 3.509 20 0 EHADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CC[C@@H](c3ccccc3)[C@@H](C)C2)n1 ZINC000822191620 599051542 /nfs/dbraw/zinc/05/15/42/599051542.db2.gz MCFZRWRAYVZKSY-WMLDXEAASA-N -1 3 348.454 3.509 20 0 EHADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CC[C@@H](c3ccccc3)[C@@H](C)C2)n1 ZINC000822191620 599051545 /nfs/dbraw/zinc/05/15/45/599051545.db2.gz MCFZRWRAYVZKSY-WMLDXEAASA-N -1 3 348.454 3.509 20 0 EHADHM C[C@@H]1CC[C@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)[C@H](C)C1 ZINC000736244565 599056974 /nfs/dbraw/zinc/05/69/74/599056974.db2.gz KFKMIIJBCIVODP-KKZNHRDASA-N -1 3 340.353 3.517 20 0 EHADHM C[C@@H]1CC[C@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)[C@H](C)C1 ZINC000736244565 599056977 /nfs/dbraw/zinc/05/69/77/599056977.db2.gz KFKMIIJBCIVODP-KKZNHRDASA-N -1 3 340.353 3.517 20 0 EHADHM CC(C)[C@@H](Nc1ncccc1-c1nnn[n-]1)c1ccccc1Cl ZINC000735734192 599058918 /nfs/dbraw/zinc/05/89/18/599058918.db2.gz LPDWROXKMQBPAF-CQSZACIVSA-N -1 3 328.807 3.724 20 0 EHADHM CC(C)[C@@H](Nc1ncccc1-c1nn[n-]n1)c1ccccc1Cl ZINC000735734192 599058921 /nfs/dbraw/zinc/05/89/21/599058921.db2.gz LPDWROXKMQBPAF-CQSZACIVSA-N -1 3 328.807 3.724 20 0 EHADHM COc1ccccc1[C@@H](C)Sc1ncc(-c2nnn[n-]2)cc1Cl ZINC000821882696 599068863 /nfs/dbraw/zinc/06/88/63/599068863.db2.gz IJSCATCVKNINRG-SECBINFHSA-N -1 3 347.831 3.777 20 0 EHADHM COc1ccccc1[C@@H](C)Sc1ncc(-c2nn[n-]n2)cc1Cl ZINC000821882696 599068865 /nfs/dbraw/zinc/06/88/65/599068865.db2.gz IJSCATCVKNINRG-SECBINFHSA-N -1 3 347.831 3.777 20 0 EHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)C1CCCCCCC1 ZINC000735655869 599069588 /nfs/dbraw/zinc/06/95/88/599069588.db2.gz SDFCPQROTRQXCT-UHFFFAOYSA-N -1 3 344.463 3.722 20 0 EHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)C1CCCCCCC1 ZINC000735655869 599069591 /nfs/dbraw/zinc/06/95/91/599069591.db2.gz SDFCPQROTRQXCT-UHFFFAOYSA-N -1 3 344.463 3.722 20 0 EHADHM CCCCC[C@H](C)CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821048367 599137430 /nfs/dbraw/zinc/13/74/30/599137430.db2.gz BNSLDNNQXKLVQJ-UONOGXRCSA-N -1 3 329.448 3.650 20 0 EHADHM CCCCC[C@H](C)CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821048367 599137432 /nfs/dbraw/zinc/13/74/32/599137432.db2.gz BNSLDNNQXKLVQJ-UONOGXRCSA-N -1 3 329.448 3.650 20 0 EHADHM O=C(/C=C/C1CC1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822924082 599151531 /nfs/dbraw/zinc/15/15/31/599151531.db2.gz WSZNUEAKWVMNBY-IZZDOVSWSA-N -1 3 347.378 3.564 20 0 EHADHM O=C(/C=C/C1CC1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822924082 599151533 /nfs/dbraw/zinc/15/15/33/599151533.db2.gz WSZNUEAKWVMNBY-IZZDOVSWSA-N -1 3 347.378 3.564 20 0 EHADHM CC(C)(CNc1ncc(-c2nnn[n-]2)cc1Cl)Cc1ccccc1 ZINC000735671340 599230251 /nfs/dbraw/zinc/23/02/51/599230251.db2.gz UXAAVVGUTWQKSP-UHFFFAOYSA-N -1 3 342.834 3.596 20 0 EHADHM CC(C)(CNc1ncc(-c2nn[n-]n2)cc1Cl)Cc1ccccc1 ZINC000735671340 599230252 /nfs/dbraw/zinc/23/02/52/599230252.db2.gz UXAAVVGUTWQKSP-UHFFFAOYSA-N -1 3 342.834 3.596 20 0 EHADHM c1cc(-c2nnn[n-]2)sc1CNc1cccc(OC2CCCC2)c1 ZINC000823757244 607309258 /nfs/dbraw/zinc/30/92/58/607309258.db2.gz MYJXHSIRCPWGPZ-UHFFFAOYSA-N -1 3 341.440 3.862 20 0 EHADHM Cc1nc(-c2ccc(NCc3cccc(-c4nnn[n-]4)c3)cc2)oc1C ZINC000822420006 607314769 /nfs/dbraw/zinc/31/47/69/607314769.db2.gz YINLWYDTYLZBQL-UHFFFAOYSA-N -1 3 346.394 3.751 20 0 EHADHM Cc1nc(-c2ccc(NCc3cccc(-c4nn[n-]n4)c3)cc2)oc1C ZINC000822420006 607314770 /nfs/dbraw/zinc/31/47/70/607314770.db2.gz YINLWYDTYLZBQL-UHFFFAOYSA-N -1 3 346.394 3.751 20 0 EHADHM CCCCN(C)c1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821062583 607317014 /nfs/dbraw/zinc/31/70/14/607317014.db2.gz YPAKKWKSOMLIIW-UHFFFAOYSA-N -1 3 336.443 3.715 20 0 EHADHM C[C@@H](SCCOc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188279 599285253 /nfs/dbraw/zinc/28/52/53/599285253.db2.gz KBGQCPWKCYLFFC-CYBMUJFWSA-N -1 3 326.425 3.740 20 0 EHADHM C[C@@H](SCCOc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188279 599285254 /nfs/dbraw/zinc/28/52/54/599285254.db2.gz KBGQCPWKCYLFFC-CYBMUJFWSA-N -1 3 326.425 3.740 20 0 EHADHM Cc1cccc([C@H]2CCCCN2c2ccc(-c3nnn[n-]3)nc2)c1C ZINC000822299522 607327504 /nfs/dbraw/zinc/32/75/04/607327504.db2.gz LPHVZXDYWNSYIO-GOSISDBHSA-N -1 3 334.427 3.610 20 0 EHADHM Cc1cccc([C@H]2CCCCN2c2ccc(-c3nn[n-]n3)nc2)c1C ZINC000822299522 607327505 /nfs/dbraw/zinc/32/75/05/607327505.db2.gz LPHVZXDYWNSYIO-GOSISDBHSA-N -1 3 334.427 3.610 20 0 EHADHM Fc1cccc2c1SCC[C@@H]2Nc1ccc(-c2nn[n-]n2)cc1F ZINC000737641177 598238197 /nfs/dbraw/zinc/23/81/97/598238197.db2.gz UIGMXGATUXZPRZ-ZDUSSCGKSA-N -1 3 345.378 3.794 20 0 EHADHM Cc1csc(-c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)n1 ZINC000737448795 598312874 /nfs/dbraw/zinc/31/28/74/598312874.db2.gz PRKYZDMOOVTIJN-UHFFFAOYSA-N -1 3 349.419 3.878 20 0 EHADHM Cc1csc(-c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)n1 ZINC000737448795 598312876 /nfs/dbraw/zinc/31/28/76/598312876.db2.gz PRKYZDMOOVTIJN-UHFFFAOYSA-N -1 3 349.419 3.878 20 0 EHADHM C[C@@H]1CCN(Cc2ccccc2-c2nnn[n-]2)c2ccccc2S1 ZINC000736275017 598430949 /nfs/dbraw/zinc/43/09/49/598430949.db2.gz FQQYTNUAXDXOMM-CYBMUJFWSA-N -1 3 337.452 3.758 20 0 EHADHM C[C@@H]1CCN(Cc2ccccc2-c2nn[n-]n2)c2ccccc2S1 ZINC000736275017 598430951 /nfs/dbraw/zinc/43/09/51/598430951.db2.gz FQQYTNUAXDXOMM-CYBMUJFWSA-N -1 3 337.452 3.758 20 0 EHADHM CC(=CC(=O)Nc1sccc1-c1nnn[n-]1)c1ccccc1Cl ZINC000735447676 598440723 /nfs/dbraw/zinc/44/07/23/598440723.db2.gz LLKLDXBTOYYPFZ-CMDGGOBGSA-N -1 3 345.815 3.624 20 0 EHADHM CC(=CC(=O)Nc1sccc1-c1nn[n-]n1)c1ccccc1Cl ZINC000735447676 598440724 /nfs/dbraw/zinc/44/07/24/598440724.db2.gz LLKLDXBTOYYPFZ-CMDGGOBGSA-N -1 3 345.815 3.624 20 0 EHADHM Fc1cccc(NCCCc2c[nH]c3ccccc23)c1-c1nnn[n-]1 ZINC000737663839 598468113 /nfs/dbraw/zinc/46/81/13/598468113.db2.gz KNNOHMPQWIQXCO-UHFFFAOYSA-N -1 3 336.374 3.532 20 0 EHADHM Fc1cccc(NCCCc2c[nH]c3ccccc23)c1-c1nn[n-]n1 ZINC000737663839 598468115 /nfs/dbraw/zinc/46/81/15/598468115.db2.gz KNNOHMPQWIQXCO-UHFFFAOYSA-N -1 3 336.374 3.532 20 0 EHADHM C[C@@H](OC(=O)C[C@H](C)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000735975672 598491087 /nfs/dbraw/zinc/49/10/87/598491087.db2.gz IFYDCUXWSWUQMB-UONOGXRCSA-N -1 3 336.395 3.665 20 0 EHADHM C[C@@H](OC(=O)C[C@H](C)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000735975672 598491089 /nfs/dbraw/zinc/49/10/89/598491089.db2.gz IFYDCUXWSWUQMB-UONOGXRCSA-N -1 3 336.395 3.665 20 0 EHADHM CCCC[C@H]1CCC[C@@H]1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736442337 598513544 /nfs/dbraw/zinc/51/35/44/598513544.db2.gz WNZXIGZZLNYDRK-JSGCOSHPSA-N -1 3 344.488 3.512 20 0 EHADHM CCCC[C@H]1CCC[C@@H]1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736442337 598513547 /nfs/dbraw/zinc/51/35/47/598513547.db2.gz WNZXIGZZLNYDRK-JSGCOSHPSA-N -1 3 344.488 3.512 20 0 EHADHM CCc1c(C)sc(NC(=O)c2cc(C)sc2C)c1-c1nnn[n-]1 ZINC000736676318 598517450 /nfs/dbraw/zinc/51/74/50/598517450.db2.gz RMPIHKAMIOXXJI-UHFFFAOYSA-N -1 3 347.469 3.730 20 0 EHADHM CCc1c(C)sc(NC(=O)c2cc(C)sc2C)c1-c1nn[n-]n1 ZINC000736676318 598517452 /nfs/dbraw/zinc/51/74/52/598517452.db2.gz RMPIHKAMIOXXJI-UHFFFAOYSA-N -1 3 347.469 3.730 20 0 EHADHM O=C(CCCCCc1cccs1)Nc1ccccc1-c1nnn[n-]1 ZINC000737825179 598568711 /nfs/dbraw/zinc/56/87/11/598568711.db2.gz LZDLQMHBAYDOJV-UHFFFAOYSA-N -1 3 341.440 3.670 20 0 EHADHM O=C(CCCCCc1cccs1)Nc1ccccc1-c1nn[n-]n1 ZINC000737825179 598568713 /nfs/dbraw/zinc/56/87/13/598568713.db2.gz LZDLQMHBAYDOJV-UHFFFAOYSA-N -1 3 341.440 3.670 20 0 EHADHM C[C@@H]1C[C@@H](CC(=O)Nc2ccccc2-c2nnn[n-]2)CC(C)(C)C1 ZINC000736225478 598572032 /nfs/dbraw/zinc/57/20/32/598572032.db2.gz CPNLXTNGSYUPAK-OLZOCXBDSA-N -1 3 327.432 3.658 20 0 EHADHM C[C@@H]1C[C@@H](CC(=O)Nc2ccccc2-c2nn[n-]n2)CC(C)(C)C1 ZINC000736225478 598572033 /nfs/dbraw/zinc/57/20/33/598572033.db2.gz CPNLXTNGSYUPAK-OLZOCXBDSA-N -1 3 327.432 3.658 20 0 EHADHM Clc1ccc(N2CCC[C@H]2c2cccs2)c(-c2nnn[n-]2)c1 ZINC000737573701 598592772 /nfs/dbraw/zinc/59/27/72/598592772.db2.gz APVANEFYVDGAQK-ZDUSSCGKSA-N -1 3 331.832 3.923 20 0 EHADHM Clc1ccc(N2CCC[C@H]2c2cccs2)c(-c2nn[n-]n2)c1 ZINC000737573701 598592774 /nfs/dbraw/zinc/59/27/74/598592774.db2.gz APVANEFYVDGAQK-ZDUSSCGKSA-N -1 3 331.832 3.923 20 0 EHADHM Fc1ccc(NCc2ccccc2C(F)(F)F)cc1-c1nnn[n-]1 ZINC000737655639 598603747 /nfs/dbraw/zinc/60/37/47/598603747.db2.gz AXWVHTGFTCWVJF-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Fc1ccc(NCc2ccccc2C(F)(F)F)cc1-c1nn[n-]n1 ZINC000737655639 598603748 /nfs/dbraw/zinc/60/37/48/598603748.db2.gz AXWVHTGFTCWVJF-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Clc1ccc(-c2nnn[n-]2)c(N2CCC[C@@H]2c2ccsc2)c1 ZINC000737570937 598635064 /nfs/dbraw/zinc/63/50/64/598635064.db2.gz MIXFOEOBZQDGMP-CYBMUJFWSA-N -1 3 331.832 3.923 20 0 EHADHM Clc1ccc(-c2nn[n-]n2)c(N2CCC[C@@H]2c2ccsc2)c1 ZINC000737570937 598635065 /nfs/dbraw/zinc/63/50/65/598635065.db2.gz MIXFOEOBZQDGMP-CYBMUJFWSA-N -1 3 331.832 3.923 20 0 EHADHM CC(C)[C@@H](CC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000484791089 598646755 /nfs/dbraw/zinc/64/67/55/598646755.db2.gz MZUMEPZGONOCGZ-QGZVFWFLSA-N -1 3 335.411 3.635 20 0 EHADHM CC(C)[C@@H](CC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000484791089 598646757 /nfs/dbraw/zinc/64/67/57/598646757.db2.gz MZUMEPZGONOCGZ-QGZVFWFLSA-N -1 3 335.411 3.635 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H](c1ccccc1)C(C)C ZINC000737291753 598657654 /nfs/dbraw/zinc/65/76/54/598657654.db2.gz OMUIEFKYYFZWSQ-KRWDZBQOSA-N -1 3 349.438 3.944 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](c1ccccc1)C(C)C ZINC000737291753 598657656 /nfs/dbraw/zinc/65/76/56/598657656.db2.gz OMUIEFKYYFZWSQ-KRWDZBQOSA-N -1 3 349.438 3.944 20 0 EHADHM Cc1ccc2c(c1)[C@@H](Nc1ccc(-c3nnn[n-]3)c(Cl)c1)CC2 ZINC000737371715 598674607 /nfs/dbraw/zinc/67/46/07/598674607.db2.gz JVGZGAHKRQYLQQ-INIZCTEOSA-N -1 3 325.803 3.928 20 0 EHADHM Cc1ccc2c(c1)[C@@H](Nc1ccc(-c3nn[n-]n3)c(Cl)c1)CC2 ZINC000737371715 598674610 /nfs/dbraw/zinc/67/46/10/598674610.db2.gz JVGZGAHKRQYLQQ-INIZCTEOSA-N -1 3 325.803 3.928 20 0 EHADHM CC[C@@H](CC(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736332416 598819732 /nfs/dbraw/zinc/81/97/32/598819732.db2.gz MUNQJMBDGPHGSU-HNNXBMFYSA-N -1 3 343.475 3.928 20 0 EHADHM CC[C@@H](CC(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736332416 598819733 /nfs/dbraw/zinc/81/97/33/598819733.db2.gz MUNQJMBDGPHGSU-HNNXBMFYSA-N -1 3 343.475 3.928 20 0 EHADHM CCN(C(=O)c1cc2ccccc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736506508 599309846 /nfs/dbraw/zinc/30/98/46/599309846.db2.gz ZZPABPDOPYUSKM-UHFFFAOYSA-N -1 3 349.419 3.748 20 0 EHADHM CCN(C(=O)c1cc2ccccc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736506508 599309849 /nfs/dbraw/zinc/30/98/49/599309849.db2.gz ZZPABPDOPYUSKM-UHFFFAOYSA-N -1 3 349.419 3.748 20 0 EHADHM Cc1ccc(-c2nc(CNc3cccc(-c4nnn[n-]4)c3)cs2)o1 ZINC000737288214 599326095 /nfs/dbraw/zinc/32/60/95/599326095.db2.gz LVQRRULQAHOUAB-UHFFFAOYSA-N -1 3 338.396 3.504 20 0 EHADHM Cc1ccc(-c2nc(CNc3cccc(-c4nn[n-]n4)c3)cs2)o1 ZINC000737288214 599326098 /nfs/dbraw/zinc/32/60/98/599326098.db2.gz LVQRRULQAHOUAB-UHFFFAOYSA-N -1 3 338.396 3.504 20 0 EHADHM CC(C)Oc1ccc(NCc2ccc(F)cc2F)cc1-c1nnn[n-]1 ZINC000820173421 607372311 /nfs/dbraw/zinc/37/23/11/607372311.db2.gz FSIAEVCVJBKWCR-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM CC(C)Oc1ccc(NCc2ccc(F)cc2F)cc1-c1nn[n-]n1 ZINC000820173421 607372313 /nfs/dbraw/zinc/37/23/13/607372313.db2.gz FSIAEVCVJBKWCR-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM Clc1ccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000737574529 599393641 /nfs/dbraw/zinc/39/36/41/599393641.db2.gz GYTZTOIKJKZWSJ-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM Clc1ccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000737574529 599393643 /nfs/dbraw/zinc/39/36/43/599393643.db2.gz GYTZTOIKJKZWSJ-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM Cc1ccnc(Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000737438012 599416936 /nfs/dbraw/zinc/41/69/36/599416936.db2.gz XKEMMUKGLYFOAF-UHFFFAOYSA-N -1 3 345.366 3.501 20 0 EHADHM Cc1ccnc(Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000737438012 599416937 /nfs/dbraw/zinc/41/69/37/599416937.db2.gz XKEMMUKGLYFOAF-UHFFFAOYSA-N -1 3 345.366 3.501 20 0 EHADHM Cc1ccc2c(c1)CC[C@@H]2Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737378530 599417155 /nfs/dbraw/zinc/41/71/55/599417155.db2.gz UATPFXCXTCLQAO-HNNXBMFYSA-N -1 3 325.803 3.928 20 0 EHADHM Cc1ccc2c(c1)CC[C@@H]2Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737378530 599417156 /nfs/dbraw/zinc/41/71/56/599417156.db2.gz UATPFXCXTCLQAO-HNNXBMFYSA-N -1 3 325.803 3.928 20 0 EHADHM Cc1cccc(-c2cccc(CNCc3ccc(-c4nnn[n-]4)o3)c2)c1 ZINC000822284571 599426647 /nfs/dbraw/zinc/42/66/47/599426647.db2.gz VLSAYSYEGYZTTB-UHFFFAOYSA-N -1 3 345.406 3.725 20 0 EHADHM COc1ccc(-c2nn[n-]n2)cc1CSc1ccnc2ccccc21 ZINC000821751746 607379128 /nfs/dbraw/zinc/37/91/28/607379128.db2.gz BDOMATJPNLSHBO-UHFFFAOYSA-N -1 3 349.419 3.716 20 0 EHADHM C[C@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1OC(F)F ZINC000820457132 599468789 /nfs/dbraw/zinc/46/87/89/599468789.db2.gz YDRIPBZSFIIYSQ-VIFPVBQESA-N -1 3 349.316 3.780 20 0 EHADHM C[C@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1OC(F)F ZINC000820457132 599468792 /nfs/dbraw/zinc/46/87/92/599468792.db2.gz YDRIPBZSFIIYSQ-VIFPVBQESA-N -1 3 349.316 3.780 20 0 EHADHM CC(C)OCc1ccccc1CNc1ccc(F)cc1-c1nnn[n-]1 ZINC000820145936 599468954 /nfs/dbraw/zinc/46/89/54/599468954.db2.gz GNUPRDPAPHDGHX-UHFFFAOYSA-N -1 3 341.390 3.543 20 0 EHADHM CC(C)OCc1ccccc1CNc1ccc(F)cc1-c1nn[n-]n1 ZINC000820145936 599468956 /nfs/dbraw/zinc/46/89/56/599468956.db2.gz GNUPRDPAPHDGHX-UHFFFAOYSA-N -1 3 341.390 3.543 20 0 EHADHM C[C@@H](NC(=O)c1ccc2ccccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820396310 599526058 /nfs/dbraw/zinc/52/60/58/599526058.db2.gz DYVDTXZQCMUSGS-CYBMUJFWSA-N -1 3 343.390 3.511 20 0 EHADHM C[C@@H](NC(=O)c1ccc2ccccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820396310 599526060 /nfs/dbraw/zinc/52/60/60/599526060.db2.gz DYVDTXZQCMUSGS-CYBMUJFWSA-N -1 3 343.390 3.511 20 0 EHADHM CC(C)Cc1ccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820107780 599543630 /nfs/dbraw/zinc/54/36/30/599543630.db2.gz BSAKMVHMKUFUGF-CQSZACIVSA-N -1 3 349.438 3.556 20 0 EHADHM CC(C)Cc1ccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820107780 599543633 /nfs/dbraw/zinc/54/36/33/599543633.db2.gz BSAKMVHMKUFUGF-CQSZACIVSA-N -1 3 349.438 3.556 20 0 EHADHM Clc1cccc2c1CCN(c1c(Cl)cccc1-c1nnn[n-]1)C2 ZINC000822586268 599567832 /nfs/dbraw/zinc/56/78/32/599567832.db2.gz VXLXUWVRCSKARS-UHFFFAOYSA-N -1 3 346.221 3.736 20 0 EHADHM Clc1cccc2c1CCN(c1c(Cl)cccc1-c1nn[n-]n1)C2 ZINC000822586268 599567833 /nfs/dbraw/zinc/56/78/33/599567833.db2.gz VXLXUWVRCSKARS-UHFFFAOYSA-N -1 3 346.221 3.736 20 0 EHADHM CCC(CC)(C(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000820881641 599620426 /nfs/dbraw/zinc/62/04/26/599620426.db2.gz CFVFONSJRQSHPY-UHFFFAOYSA-N -1 3 336.395 3.530 20 0 EHADHM CCC(CC)(C(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820881641 599620427 /nfs/dbraw/zinc/62/04/27/599620427.db2.gz CFVFONSJRQSHPY-UHFFFAOYSA-N -1 3 336.395 3.530 20 0 EHADHM COc1ccccc1CC1CCN(Cc2cc(C(=O)[O-])c(C)o2)CC1 ZINC000580898014 599852870 /nfs/dbraw/zinc/85/28/70/599852870.db2.gz UNZBCFDYHKZSFZ-UHFFFAOYSA-N -1 3 343.423 3.750 20 0 EHADHM COc1ccc([C@@H](NCc2ccc(Cl)c(Cl)c2)C(=O)[O-])cc1 ZINC000737968285 599857145 /nfs/dbraw/zinc/85/71/45/599857145.db2.gz FBCAMSPPBJLHHY-OAHLLOKOSA-N -1 3 340.206 3.918 20 0 EHADHM COc1ccc(CN(C)[C@@H](C(=O)[O-])c2cccc(Cl)c2)c(OC)c1 ZINC000737994653 600397904 /nfs/dbraw/zinc/39/79/04/600397904.db2.gz JLKZAFBHGCSPIR-QGZVFWFLSA-N -1 3 349.814 3.615 20 0 EHADHM 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CC(C)(C)OC(=O)c1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1 ZINC000833444422 605114749 /nfs/dbraw/zinc/11/47/49/605114749.db2.gz UVIDIYSYVLOGNE-UHFFFAOYSA-N -1 3 341.407 3.630 20 0 EHADHM CCn1nc(C)c([C@@H](C)NCc2ccc([C@H](C)NC(=O)[O-])cc2)c1C ZINC000827716678 605118630 /nfs/dbraw/zinc/11/86/30/605118630.db2.gz DHGGFVIBJPCUHD-QWHCGFSZSA-N -1 3 344.459 3.699 20 0 EHADHM CC(C)(C)OC(=O)c1cccc(CNCc2ccc(C(=O)[O-])cc2)c1 ZINC000417541962 605122365 /nfs/dbraw/zinc/12/23/65/605122365.db2.gz ZINOICPJKZJMJJ-UHFFFAOYSA-N -1 3 341.407 3.630 20 0 EHADHM CCc1oc(C(=O)[O-])cc1CN[C@H](C)c1cccc(-n2cccn2)c1 ZINC000833681297 605138054 /nfs/dbraw/zinc/13/80/54/605138054.db2.gz XBJOOTZPUJGSOA-CYBMUJFWSA-N -1 3 339.395 3.577 20 0 EHADHM O=C([O-])[C@H]1CC12CCN(Cc1c(Cl)cccc1N1CCCC1)CC2 ZINC000833771502 605243689 /nfs/dbraw/zinc/24/36/89/605243689.db2.gz HSONUASPYCHOIF-OAHLLOKOSA-N -1 3 348.874 3.627 20 0 EHADHM C[C@H]1CC[C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000824915744 607757398 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CS[C@H]1CCC[C@H](Nc2nc3ccccc3cc2-c2nn[n-]n2)C1 ZINC000821956504 606088142 /nfs/dbraw/zinc/08/81/42/606088142.db2.gz QBSRBIXXRKPMMW-STQMWFEESA-N -1 3 340.456 3.501 20 0 EHADHM C[C@@H](N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ncc(C(C)(C)C)o1 ZINC000820413608 606173240 /nfs/dbraw/zinc/17/32/40/606173240.db2.gz SLUKPOHNLBUDSD-VXGBXAGGSA-N -1 3 340.431 3.564 20 0 EHADHM C[C@@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ncc(C(C)(C)C)o1 ZINC000820413608 606173241 /nfs/dbraw/zinc/17/32/41/606173241.db2.gz SLUKPOHNLBUDSD-VXGBXAGGSA-N -1 3 340.431 3.564 20 0 EHADHM C[C@H](SCc1ccnc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820549511 606179091 /nfs/dbraw/zinc/17/90/91/606179091.db2.gz OCFCMOADKQCWSN-JTQLQIEISA-N -1 3 331.832 3.910 20 0 EHADHM C[C@H](SCc1ccnc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820549511 606179092 /nfs/dbraw/zinc/17/90/92/606179092.db2.gz OCFCMOADKQCWSN-JTQLQIEISA-N -1 3 331.832 3.910 20 0 EHADHM CC(C)c1cccc(C(C)C)c1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820191944 606316313 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O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(Oc2ccccc2)o1 ZINC000823368409 606373021 /nfs/dbraw/zinc/37/30/21/606373021.db2.gz WZDJSPHTCYUNNF-UHFFFAOYSA-N -1 3 347.334 3.504 20 0 EHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(Oc2ccccc2)o1 ZINC000823368409 606373023 /nfs/dbraw/zinc/37/30/23/606373023.db2.gz WZDJSPHTCYUNNF-UHFFFAOYSA-N -1 3 347.334 3.504 20 0 EHADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)s1)c1ccc(F)cc1Cl ZINC000820432967 606421875 /nfs/dbraw/zinc/42/18/75/606421875.db2.gz UNNLTFQZAQNRKM-MRVPVSSYSA-N -1 3 337.811 3.572 20 0 EHADHM Cc1ccc([C@H]2[C@@H](C)CCCN2c2ncccc2-c2nnn[n-]2)cc1 ZINC000822232198 606475828 /nfs/dbraw/zinc/47/58/28/606475828.db2.gz WNOHYNCXJNPMDY-WMLDXEAASA-N -1 3 334.427 3.548 20 0 EHADHM Cc1ccc([C@H]2[C@@H](C)CCCN2c2ncccc2-c2nn[n-]n2)cc1 ZINC000822232198 606475830 /nfs/dbraw/zinc/47/58/30/606475830.db2.gz WNOHYNCXJNPMDY-WMLDXEAASA-N -1 3 334.427 3.548 20 0 EHADHM CCCCCN(CCCCC)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821056460 606494449 /nfs/dbraw/zinc/49/44/49/606494449.db2.gz SCHMTWGKENIMNE-UHFFFAOYSA-N -1 3 335.477 3.751 20 0 EHADHM CCCCCN(CCCCC)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821056460 606494450 /nfs/dbraw/zinc/49/44/50/606494450.db2.gz SCHMTWGKENIMNE-UHFFFAOYSA-N -1 3 335.477 3.751 20 0 EHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC[C@H]1CC1CCCCC1 ZINC000823472657 606539393 /nfs/dbraw/zinc/53/93/93/606539393.db2.gz ULPBYHSALXFFIF-AWEZNQCLSA-N -1 3 345.472 3.503 20 0 EHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC[C@H]1CC1CCCCC1 ZINC000823472657 606539395 /nfs/dbraw/zinc/53/93/95/606539395.db2.gz ULPBYHSALXFFIF-AWEZNQCLSA-N -1 3 345.472 3.503 20 0 EHADHM O=C(C=C1CCC1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000822917691 606673231 /nfs/dbraw/zinc/67/32/31/606673231.db2.gz VGPPQLBGDCJSIH-UHFFFAOYSA-N -1 3 347.378 3.708 20 0 EHADHM O=C(C=C1CCC1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000822917691 606673232 /nfs/dbraw/zinc/67/32/32/606673232.db2.gz VGPPQLBGDCJSIH-UHFFFAOYSA-N -1 3 347.378 3.708 20 0 EHADHM CC(C)Sc1ccccc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820184016 606744647 /nfs/dbraw/zinc/74/46/47/606744647.db2.gz SJHXTYASKNCLRN-UHFFFAOYSA-N -1 3 345.453 3.681 20 0 EHADHM CC(C)Sc1ccccc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820184016 606744649 /nfs/dbraw/zinc/74/46/49/606744649.db2.gz SJHXTYASKNCLRN-UHFFFAOYSA-N -1 3 345.453 3.681 20 0 EHADHM Fc1ccc2oc(C(Cl)=Cc3cc(-c4nnn[n-]4)cs3)nc2c1 ZINC000822786234 606763916 /nfs/dbraw/zinc/76/39/16/606763916.db2.gz FPWBFAJBPAQWGC-BJMVGYQFSA-N -1 3 347.762 3.945 20 0 EHADHM Fc1ccc2oc(C(Cl)=Cc3cc(-c4nn[n-]n4)cs3)nc2c1 ZINC000822786234 606763918 /nfs/dbraw/zinc/76/39/18/606763918.db2.gz FPWBFAJBPAQWGC-BJMVGYQFSA-N -1 3 347.762 3.945 20 0 EHADHM C[C@H](SCc1cnc(Cl)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820550635 606987112 /nfs/dbraw/zinc/98/71/12/606987112.db2.gz YDICIXUBEUBEFU-QMMMGPOBSA-N -1 3 337.861 3.971 20 0 EHADHM C[C@H](SCc1cnc(Cl)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820550635 606987114 /nfs/dbraw/zinc/98/71/14/606987114.db2.gz YDICIXUBEUBEFU-QMMMGPOBSA-N -1 3 337.861 3.971 20 0 EHADHM c1c(CSc2cccc(-c3nnn[n-]3)c2)noc1-c1ccccc1 ZINC000823767215 607011177 /nfs/dbraw/zinc/01/11/77/607011177.db2.gz PWVCCGKLVRMZPZ-UHFFFAOYSA-N -1 3 335.392 3.814 20 0 EHADHM c1c(CSc2cccc(-c3nn[n-]n3)c2)noc1-c1ccccc1 ZINC000823767215 607011178 /nfs/dbraw/zinc/01/11/78/607011178.db2.gz PWVCCGKLVRMZPZ-UHFFFAOYSA-N -1 3 335.392 3.814 20 0 EHADHM Cc1ccnc(NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)c1 ZINC000822373761 607113075 /nfs/dbraw/zinc/11/30/75/607113075.db2.gz BQMXUWOBLDPODM-UHFFFAOYSA-N -1 3 348.435 3.911 20 0 EHADHM COc1cccc2c1CC[C@@H]2Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821877876 607119458 /nfs/dbraw/zinc/11/94/58/607119458.db2.gz YBKOEGSKXDQJJW-AWEZNQCLSA-N -1 3 341.802 3.628 20 0 EHADHM COc1cccc2c1CC[C@@H]2Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821877876 607119459 /nfs/dbraw/zinc/11/94/59/607119459.db2.gz YBKOEGSKXDQJJW-AWEZNQCLSA-N -1 3 341.802 3.628 20 0 EHADHM Cl/C=C\CNc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822563479 607124376 /nfs/dbraw/zinc/12/43/76/607124376.db2.gz KRKZFERRRMEWGN-BAQGIRSFSA-N -1 3 341.802 3.610 20 0 EHADHM Cl/C=C\CNc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822563479 607124377 /nfs/dbraw/zinc/12/43/77/607124377.db2.gz KRKZFERRRMEWGN-BAQGIRSFSA-N -1 3 341.802 3.610 20 0 EHADHM CC(C)CCN(C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC000820073473 607195365 /nfs/dbraw/zinc/19/53/65/607195365.db2.gz VCJAQCFOVPCSNU-UHFFFAOYSA-N -1 3 348.838 3.563 20 0 EHADHM CC(C)CCN(C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC000820073473 607195366 /nfs/dbraw/zinc/19/53/66/607195366.db2.gz VCJAQCFOVPCSNU-UHFFFAOYSA-N -1 3 348.838 3.563 20 0 EHADHM CN(C(=O)C1CCC(C)(C)CC1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569624 607238864 /nfs/dbraw/zinc/23/88/64/607238864.db2.gz QBPYJZFYCXVEKB-UHFFFAOYSA-N -1 3 347.850 3.699 20 0 EHADHM CN(C(=O)C1CCC(C)(C)CC1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569624 607238865 /nfs/dbraw/zinc/23/88/65/607238865.db2.gz QBPYJZFYCXVEKB-UHFFFAOYSA-N -1 3 347.850 3.699 20 0 EHADHM C[C@@H](CC1CCCC1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820231603 607241092 /nfs/dbraw/zinc/24/10/92/607241092.db2.gz BYALQUUKADMUIO-JTQLQIEISA-N -1 3 333.823 3.675 20 0 EHADHM C[C@@H](CC1CCCC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820231603 607241093 /nfs/dbraw/zinc/24/10/93/607241093.db2.gz BYALQUUKADMUIO-JTQLQIEISA-N -1 3 333.823 3.675 20 0 EHADHM C[C@H]1CCCC[C@H]1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820697174 607241131 /nfs/dbraw/zinc/24/11/31/607241131.db2.gz FNPOKEAQRYQPCD-QWRGUYRKSA-N -1 3 333.823 3.675 20 0 EHADHM C[C@H]1CCCC[C@H]1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820697174 607241132 /nfs/dbraw/zinc/24/11/32/607241132.db2.gz FNPOKEAQRYQPCD-QWRGUYRKSA-N -1 3 333.823 3.675 20 0 EHADHM CC1(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)CCCCC1 ZINC000824817289 607792962 /nfs/dbraw/zinc/79/29/62/607792962.db2.gz MYGVBFVOTHEOKU-UHFFFAOYSA-N -1 3 345.472 3.716 20 0 EHADHM CC1(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)CCCCC1 ZINC000824817289 607792963 /nfs/dbraw/zinc/79/29/63/607792963.db2.gz MYGVBFVOTHEOKU-UHFFFAOYSA-N -1 3 345.472 3.716 20 0 EHADHM CCN(C(=O)C[C@H](C)c1ccccc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367957 607797997 /nfs/dbraw/zinc/79/79/97/607797997.db2.gz YHJMAFLIIICHLL-HNNXBMFYSA-N -1 3 349.438 3.722 20 0 EHADHM CCN(C(=O)C[C@H](C)c1ccccc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367957 607797998 /nfs/dbraw/zinc/79/79/98/607797998.db2.gz YHJMAFLIIICHLL-HNNXBMFYSA-N -1 3 349.438 3.722 20 0 EHADHM Cc1cccc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1Cl ZINC000826296162 607860568 /nfs/dbraw/zinc/86/05/68/607860568.db2.gz LIPRYSDLJOAGGR-NSHDSACASA-N -1 3 342.786 3.747 20 0 EHADHM Cc1cccc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC000826296162 607860569 /nfs/dbraw/zinc/86/05/69/607860569.db2.gz LIPRYSDLJOAGGR-NSHDSACASA-N -1 3 342.786 3.747 20 0 EHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2CCCC(C)(C)C2)s1 ZINC000825694505 607925398 /nfs/dbraw/zinc/92/53/98/607925398.db2.gz RGNJUXDYKGXLDB-JTQLQIEISA-N -1 3 333.461 3.646 20 0 EHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2CCCC(C)(C)C2)s1 ZINC000825694505 607925399 /nfs/dbraw/zinc/92/53/99/607925399.db2.gz RGNJUXDYKGXLDB-JTQLQIEISA-N -1 3 333.461 3.646 20 0 EHADHM CC1(C)CCC[C@H](C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000824803015 607927971 /nfs/dbraw/zinc/92/79/71/607927971.db2.gz RHZUCAGQANCQGL-NSHDSACASA-N -1 3 333.823 3.675 20 0 EHADHM CC1(C)CCC[C@H](C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000824803015 607927972 /nfs/dbraw/zinc/92/79/72/607927972.db2.gz RHZUCAGQANCQGL-NSHDSACASA-N -1 3 333.823 3.675 20 0 EHADHM Cc1cc(C)c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c(C)c1 ZINC000826262847 608071963 /nfs/dbraw/zinc/07/19/63/608071963.db2.gz ABMKWTDEIGVBEZ-UHFFFAOYSA-N -1 3 341.802 3.698 20 0 EHADHM Cc1cc(C)c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c(C)c1 ZINC000826262847 608071964 /nfs/dbraw/zinc/07/19/64/608071964.db2.gz ABMKWTDEIGVBEZ-UHFFFAOYSA-N -1 3 341.802 3.698 20 0 EHADHM CCC[C@H](C(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000825225037 608116364 /nfs/dbraw/zinc/11/63/64/608116364.db2.gz KDQBYSCMNHGRSZ-KRWDZBQOSA-N -1 3 343.475 3.678 20 0 EHADHM CCC[C@H](C(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000825225037 608116365 /nfs/dbraw/zinc/11/63/65/608116365.db2.gz KDQBYSCMNHGRSZ-KRWDZBQOSA-N -1 3 343.475 3.678 20 0 EHADHM c1csc([C@@H]2CCCN2c2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000826526063 608222584 /nfs/dbraw/zinc/22/25/84/608222584.db2.gz JPYWCRRIXRLACO-HNNXBMFYSA-N -1 3 348.435 3.818 20 0 EHADHM c1csc([C@@H]2CCCN2c2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC000826526063 608222586 /nfs/dbraw/zinc/22/25/86/608222586.db2.gz JPYWCRRIXRLACO-HNNXBMFYSA-N -1 3 348.435 3.818 20 0 EHADHM CC(C)(C)Oc1cc(F)ccc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000824119733 608242290 /nfs/dbraw/zinc/24/22/90/608242290.db2.gz PEQRLPHUAZNFGP-UHFFFAOYSA-N -1 3 347.419 3.857 20 0 EHADHM CC(C)(C)Oc1cc(F)ccc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000824119733 608242292 /nfs/dbraw/zinc/24/22/92/608242292.db2.gz PEQRLPHUAZNFGP-UHFFFAOYSA-N -1 3 347.419 3.857 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H](C)c2ccc(F)c(Cl)c2)n1 ZINC000826274682 608276998 /nfs/dbraw/zinc/27/69/98/608276998.db2.gz AEURRWABVKWXPJ-SECBINFHSA-N -1 3 332.770 3.536 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H](C)c2ccc(F)c(Cl)c2)n1 ZINC000826274682 608277000 /nfs/dbraw/zinc/27/70/00/608277000.db2.gz AEURRWABVKWXPJ-SECBINFHSA-N -1 3 332.770 3.536 20 0 EHADHM CCC/C=C/C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825258427 608327634 /nfs/dbraw/zinc/32/76/34/608327634.db2.gz CWPUXBSLLBMCBS-RUDMXATFSA-N -1 3 347.422 3.506 20 0 EHADHM CCC/C=C/C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825258427 608327635 /nfs/dbraw/zinc/32/76/35/608327635.db2.gz CWPUXBSLLBMCBS-RUDMXATFSA-N -1 3 347.422 3.506 20 0 EHADHM Fc1c(CNc2ccc3c4c(cccc42)CC3)cccc1-c1nnn[n-]1 ZINC000826371008 608481229 /nfs/dbraw/zinc/48/12/29/608481229.db2.gz OWWXRLFKPUSYKS-UHFFFAOYSA-N -1 3 345.381 3.870 20 0 EHADHM Fc1c(CNc2ccc3c4c(cccc42)CC3)cccc1-c1nn[n-]n1 ZINC000826371008 608481231 /nfs/dbraw/zinc/48/12/31/608481231.db2.gz OWWXRLFKPUSYKS-UHFFFAOYSA-N -1 3 345.381 3.870 20 0 EHADHM CSc1ccc(C)c(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826230109 608590922 /nfs/dbraw/zinc/59/09/22/608590922.db2.gz DVGOJVRZAKLDNK-UHFFFAOYSA-N -1 3 340.412 3.541 20 0 EHADHM CSc1ccc(C)c(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826230109 608590924 /nfs/dbraw/zinc/59/09/24/608590924.db2.gz DVGOJVRZAKLDNK-UHFFFAOYSA-N -1 3 340.412 3.541 20 0 EHADHM c1ccc(-c2ccc(OCc3ccc(-c4nnn[n-]4)cc3)cn2)cc1 ZINC000826518859 608800267 /nfs/dbraw/zinc/80/02/67/608800267.db2.gz ABMLHYOVCPRDDS-UHFFFAOYSA-N -1 3 329.363 3.508 20 0 EHADHM c1ccc(-c2ccc(OCc3ccc(-c4nn[n-]n4)cc3)cn2)cc1 ZINC000826518859 608800269 /nfs/dbraw/zinc/80/02/69/608800269.db2.gz ABMLHYOVCPRDDS-UHFFFAOYSA-N -1 3 329.363 3.508 20 0 EHADHM C[C@H](NCc1ccc([C@H]2C[C@@H]2C)o1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824614195 609133673 /nfs/dbraw/zinc/13/36/73/609133673.db2.gz ZHQJBAFGATXRPQ-PGUXBMHVSA-N -1 3 341.390 3.573 20 0 EHADHM C[C@H](NCc1ccc([C@H]2C[C@@H]2C)o1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824614195 609133674 /nfs/dbraw/zinc/13/36/74/609133674.db2.gz ZHQJBAFGATXRPQ-PGUXBMHVSA-N -1 3 341.390 3.573 20 0 EHADHM C[C@@H](NCc1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824606575 609138341 /nfs/dbraw/zinc/13/83/41/609138341.db2.gz QGMALTHKSUQKGO-SECBINFHSA-N -1 3 349.772 3.649 20 0 EHADHM C[C@@H](NCc1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824606575 609138343 /nfs/dbraw/zinc/13/83/43/609138343.db2.gz QGMALTHKSUQKGO-SECBINFHSA-N -1 3 349.772 3.649 20 0 EHADHM COc1ccc(Cl)cc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826208737 609349411 /nfs/dbraw/zinc/34/94/11/609349411.db2.gz YCNFXVPFFFEAKK-VIFPVBQESA-N -1 3 347.781 3.841 20 0 EHADHM COc1ccc(Cl)cc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826208737 609349412 /nfs/dbraw/zinc/34/94/12/609349412.db2.gz YCNFXVPFFFEAKK-VIFPVBQESA-N -1 3 347.781 3.841 20 0 EHADHM FC(F)(F)c1cc(SCc2cscn2)ccc1-c1nnn[n-]1 ZINC000826368179 609451431 /nfs/dbraw/zinc/45/14/31/609451431.db2.gz FVFAHABBASEOSX-UHFFFAOYSA-N -1 3 343.359 3.634 20 0 EHADHM FC(F)(F)c1cc(SCc2cscn2)ccc1-c1nn[n-]n1 ZINC000826368179 609451434 /nfs/dbraw/zinc/45/14/34/609451434.db2.gz FVFAHABBASEOSX-UHFFFAOYSA-N -1 3 343.359 3.634 20 0 EHADHM CC(C)(C)Oc1ccccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000824124232 609477076 /nfs/dbraw/zinc/47/70/76/609477076.db2.gz RANQWFLLLQMHCJ-UHFFFAOYSA-N -1 3 341.390 3.795 20 0 EHADHM CC(C)(C)Oc1ccccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000824124232 609477077 /nfs/dbraw/zinc/47/70/77/609477077.db2.gz RANQWFLLLQMHCJ-UHFFFAOYSA-N -1 3 341.390 3.795 20 0 EHADHM Cc1c(NCc2cnc(C3CCCC3)s2)cccc1-c1nnn[n-]1 ZINC000826242446 609485861 /nfs/dbraw/zinc/48/58/61/609485861.db2.gz PBAAIDZEUXZLLG-UHFFFAOYSA-N -1 3 340.456 3.901 20 0 EHADHM Cc1c(NCc2cnc(C3CCCC3)s2)cccc1-c1nn[n-]n1 ZINC000826242446 609485864 /nfs/dbraw/zinc/48/58/64/609485864.db2.gz PBAAIDZEUXZLLG-UHFFFAOYSA-N -1 3 340.456 3.901 20 0 EHADHM CCC(C)=C(C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000825049594 609507629 /nfs/dbraw/zinc/50/76/29/609507629.db2.gz DIRZLJSBDTXEJG-KHPPLWFESA-N -1 3 345.472 3.882 20 0 EHADHM CC/C(C)=C(/C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000825049594 609507630 /nfs/dbraw/zinc/50/76/30/609507630.db2.gz DIRZLJSBDTXEJG-KHPPLWFESA-N -1 3 345.472 3.882 20 0 EHADHM CC/C(C)=C(\C)C(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825052791 609522936 /nfs/dbraw/zinc/52/29/36/609522936.db2.gz YUDOGGUFEDKJNV-XTZCOPOCSA-N -1 3 327.432 3.523 20 0 EHADHM CC/C(C)=C(\C)C(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825052791 609522937 /nfs/dbraw/zinc/52/29/37/609522937.db2.gz YUDOGGUFEDKJNV-XTZCOPOCSA-N -1 3 327.432 3.523 20 0 EHADHM Cc1c(Cl)cnc(N[C@@H](c2ccccc2)C2CC2)c1-c1nnn[n-]1 ZINC000826238252 609526537 /nfs/dbraw/zinc/52/65/37/609526537.db2.gz APCYNTUDZAOTBF-HNNXBMFYSA-N -1 3 340.818 3.787 20 0 EHADHM Cc1c(Cl)cnc(N[C@@H](c2ccccc2)C2CC2)c1-c1nn[n-]n1 ZINC000826238252 609526539 /nfs/dbraw/zinc/52/65/39/609526539.db2.gz APCYNTUDZAOTBF-HNNXBMFYSA-N -1 3 340.818 3.787 20 0 EHADHM CCSc1ccc([C@H](C)Nc2nccc(C)c2-c2nnn[n-]2)cc1 ZINC000825673828 609548822 /nfs/dbraw/zinc/54/88/22/609548822.db2.gz DAISWOLIZXJILL-LBPRGKRZSA-N -1 3 340.456 3.855 20 0 EHADHM CCSc1ccc([C@H](C)Nc2nccc(C)c2-c2nn[n-]n2)cc1 ZINC000825673828 609548824 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ZINC001595299430 980427246 /nfs/dbraw/zinc/42/72/46/980427246.db2.gz TUVLDZFIRCUXNZ-DLBZAZTESA-N -1 3 333.815 3.640 20 0 EHADHM C[C@H](NCc1nc(C(C)(C)C)cs1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000901877908 980593022 /nfs/dbraw/zinc/59/30/22/980593022.db2.gz XJWLXFJLFULQNT-ZFWWWQNUSA-N -1 3 346.496 3.862 20 0 EHADHM C[C@@H](CCc1ccc(F)cc1F)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000901908078 980620273 /nfs/dbraw/zinc/62/02/73/980620273.db2.gz NRECJQKIEMBFQT-UWVGGRQHSA-N -1 3 340.395 3.791 20 0 EHADHM C[C@H](N[C@H]1CCC[C@H](c2cccnc2)C1)c1ncc(C(=O)[O-])s1 ZINC000901908163 980621771 /nfs/dbraw/zinc/62/17/71/980621771.db2.gz PJMSBQOAIZZQPW-OBJOEFQTSA-N -1 3 331.441 3.613 20 0 EHADHM Cc1ccc(CCC2CCN(Cc3cccc(C(=O)[O-])n3)CC2)cc1 ZINC000902083269 980724501 /nfs/dbraw/zinc/72/45/01/980724501.db2.gz FKTSFOLRZCRSMY-UHFFFAOYSA-N -1 3 338.451 3.933 20 0 EHADHM CCCOc1ccc(CNCc2csc(C(=O)[O-])c2)cc1OC ZINC000902106577 980737172 /nfs/dbraw/zinc/73/71/72/980737172.db2.gz WJXPMDGNXCDEAT-UHFFFAOYSA-N -1 3 335.425 3.534 20 0 EHADHM C[C@@H](Oc1ccc(CN[C@H]2CCCc3sccc32)cc1)C(=O)[O-] ZINC000902216765 980787006 /nfs/dbraw/zinc/78/70/06/980787006.db2.gz AOBXQNICLVQMLX-WBMJQRKESA-N -1 3 331.437 3.767 20 0 EHADHM CC[C@H](c1ccccc1)N1CCN(Cc2cc(C(=O)[O-])oc2C)CC1 ZINC001595364756 980797749 /nfs/dbraw/zinc/79/77/49/980797749.db2.gz XNCHONNCXIYKSY-GOSISDBHSA-N -1 3 342.439 3.555 20 0 EHADHM Cc1oc(C(=O)[O-])cc1CN[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000902351690 980845640 /nfs/dbraw/zinc/84/56/40/980845640.db2.gz QRCYGGLMTXDGKF-RHSMWYFYSA-N -1 3 329.396 3.544 20 0 EHADHM O=C([O-])CCC[C@@H]1CCC[C@H](N[C@@H]2COc3cc(F)cc(F)c32)C1 ZINC000902438240 980886326 /nfs/dbraw/zinc/88/63/26/980886326.db2.gz DJUORQCBWHULEE-CORIIIEPSA-N -1 3 339.382 3.802 20 0 EHADHM C[C@@H]1CCC[C@H](CNCc2ccc(-c3ccccc3C(=O)[O-])o2)O1 ZINC000902457422 980896685 /nfs/dbraw/zinc/89/66/85/980896685.db2.gz OPNVAHFBFIKQHB-ZIAGYGMSSA-N -1 3 329.396 3.692 20 0 EHADHM CCc1oc(CN[C@H]2C[C@H](OC(C)(C)C)C23CCC3)cc1C(=O)[O-] ZINC000902461965 980899184 /nfs/dbraw/zinc/89/91/84/980899184.db2.gz YOVHFEHRZKJTTN-HOTGVXAUSA-N -1 3 335.444 3.756 20 0 EHADHM Cc1cccc(CC2CN(Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)C2)c1 ZINC000902464771 980900698 /nfs/dbraw/zinc/90/06/98/980900698.db2.gz KHMUGKUELJJACB-INIZCTEOSA-N -1 3 339.435 3.521 20 0 EHADHM CC1(C)CC[C@H](CNCc2ccc(-c3ccc(C(=O)[O-])cc3)o2)OC1 ZINC000902505671 980912961 /nfs/dbraw/zinc/91/29/61/980912961.db2.gz JGGKDFNRZOMKRQ-MRXNPFEDSA-N -1 3 343.423 3.940 20 0 EHADHM CC1(C)CC[C@H](CNCc2ccc(-c3ccccc3C(=O)[O-])o2)OC1 ZINC000902508330 980914695 /nfs/dbraw/zinc/91/46/95/980914695.db2.gz ZSYIWHRHWLIGOQ-CQSZACIVSA-N -1 3 343.423 3.940 20 0 EHADHM Cc1ccc(CN(Cc2c(C)nn(CCC(=O)[O-])c2C)C(C)C)s1 ZINC000902515052 980916478 /nfs/dbraw/zinc/91/64/78/980916478.db2.gz MKDAWJPRYWMUAZ-UHFFFAOYSA-N -1 3 349.500 3.755 20 0 EHADHM COc1ccc(C(=O)[O-])cc1CN1CCC2(CCSCC2)CC1 ZINC000903607150 980987902 /nfs/dbraw/zinc/98/79/02/980987902.db2.gz HWPCAKJVXBFOFQ-UHFFFAOYSA-N -1 3 335.469 3.503 20 0 EHADHM Cc1cccc(CN2CCCC[C@@H]2CC(=O)[O-])c1Br ZINC000903702821 981015948 /nfs/dbraw/zinc/01/59/48/981015948.db2.gz JASNDWWQWGAHDP-CYBMUJFWSA-N -1 3 326.234 3.587 20 0 EHADHM Cc1ccc(CN2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)c(Cl)c1 ZINC000903925782 981043810 /nfs/dbraw/zinc/04/38/10/981043810.db2.gz WWTGODMLZPCRCR-GFCCVEGCSA-N -1 3 336.844 3.793 20 0 EHADHM O=C([O-])c1ccc(CNC2CC3(C2)CCCC3)c(Br)c1 ZINC000905718451 981121982 /nfs/dbraw/zinc/12/19/82/981121982.db2.gz KTDXEOMWHKRKDT-UHFFFAOYSA-N -1 3 338.245 3.960 20 0 EHADHM Cc1cc(Cl)cc(CN2CC[C@H](c3ncc(C(=O)[O-])s3)C2)c1 ZINC000905748418 981136104 /nfs/dbraw/zinc/13/61/04/981136104.db2.gz HQDBSKPKXAQFCR-LBPRGKRZSA-N -1 3 336.844 3.793 20 0 EHADHM CC[C@@H]1CCN1Cc1ccc(OCc2ccc(C(=O)[O-])o2)c(OC)c1 ZINC001595468370 981161814 /nfs/dbraw/zinc/16/18/14/981161814.db2.gz ULTUXRBPFJGORK-CQSZACIVSA-N -1 3 345.395 3.550 20 0 EHADHM CCC[C@@](C)(NCC(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001595560279 981447823 /nfs/dbraw/zinc/44/78/23/981447823.db2.gz HLGDPJJIIMAKOE-HXUWFJFHSA-N -1 3 340.423 3.628 20 0 EHADHM COC[C@@H](NCc1cccc([O-])c1Br)c1ccccc1 ZINC000459423180 1032104182 /nfs/dbraw/zinc/10/41/82/1032104182.db2.gz ZBUPEFNFLKAKQB-CQSZACIVSA-N -1 3 336.229 3.632 20 0 EHADHM Cc1cc2c(cc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C)OCO2 ZINC000510083501 1014866534 /nfs/dbraw/zinc/86/65/34/1014866534.db2.gz UTOZOWNZDWLIHL-UHFFFAOYSA-N -1 3 347.436 3.758 20 0 EHADHM CCCN(Cc1cc(C(=O)[O-])n(C)c1)[C@@H](C)c1ccccc1OC ZINC001595886087 982913756 /nfs/dbraw/zinc/91/37/56/982913756.db2.gz WTOVMPMTKDYBFY-AWEZNQCLSA-N -1 3 330.428 3.705 20 0 EHADHM CCCN(Cc1ccccc1C(=O)[O-])[C@@H](C)C(=O)Nc1ccccc1 ZINC001595900170 982950642 /nfs/dbraw/zinc/95/06/42/982950642.db2.gz QMYYAKRDUGRCAR-HNNXBMFYSA-N -1 3 340.423 3.624 20 0 EHADHM CCCSC[C@@H](C)NCc1ccc(C(=O)[O-])cc1Br ZINC001595986852 983233321 /nfs/dbraw/zinc/23/33/21/983233321.db2.gz AWCASNUCFDYROC-SNVBAGLBSA-N -1 3 346.290 3.769 20 0 EHADHM Cc1[nH]c(CN(C)CCCOc2cccc(Cl)c2)cc1C(=O)[O-] ZINC001599962358 985813133 /nfs/dbraw/zinc/81/31/33/985813133.db2.gz OALSTSWHPLQNDB-UHFFFAOYSA-N -1 3 336.819 3.576 20 0 EHADHM Cc1[nH]c(CN2CCC(CCc3ccccc3)CC2)cc1C(=O)[O-] ZINC001599964381 985867919 /nfs/dbraw/zinc/86/79/19/985867919.db2.gz YXSOYGKFUADLJC-UHFFFAOYSA-N -1 3 326.440 3.866 20 0 EHADHM CCSc1cccc(CN[C@@](C)(CC(=O)[O-])c2ccncc2)c1 ZINC001597277075 987332941 /nfs/dbraw/zinc/33/29/41/987332941.db2.gz FYCQFUIOXNXRDV-SFHVURJKSA-N -1 3 330.453 3.673 20 0 EHADHM CC(C)(C)C[C@@H]1CCN(CC(=O)Nc2ccccc2C(=O)[O-])C1(C)C ZINC001589764558 988103659 /nfs/dbraw/zinc/10/36/59/988103659.db2.gz NNVTZRYHZJYESE-AWEZNQCLSA-N -1 3 346.471 3.860 20 0 EHADHM CCc1oc(CN2CCC(c3ccc(O)cc3)CC2)cc1C(=O)[O-] ZINC001597795851 989349249 /nfs/dbraw/zinc/34/92/49/989349249.db2.gz FNHSLQWANRAMLT-UHFFFAOYSA-N -1 3 329.396 3.625 20 0 EHADHM CN(C)c1cccc(CN2CCCC[C@@H]2c2ccc(C(=O)[O-])n2C)c1 ZINC001598334992 991383240 /nfs/dbraw/zinc/38/32/40/991383240.db2.gz SQVQXYLSWSLHOC-GOSISDBHSA-N -1 3 341.455 3.517 20 0 EHADHM CC(C)[C@H]1N(Cc2cc(C(=O)[O-])ccc2Cl)CC12CCOCC2 ZINC001591098736 991705350 /nfs/dbraw/zinc/70/53/50/991705350.db2.gz FBLZUDNIMOLOJW-MRXNPFEDSA-N -1 3 337.847 3.675 20 0 EHADHM CC(C)C[C@@H](NCC(=O)Nc1cccc(C(=O)[O-])c1)c1cccs1 ZINC001591184234 991987901 /nfs/dbraw/zinc/98/79/01/991987901.db2.gz SKVVVUYIVLUDGR-OAHLLOKOSA-N -1 3 346.452 3.762 20 0 EHADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1cncs1 ZINC000339795139 1015678433 /nfs/dbraw/zinc/67/84/33/1015678433.db2.gz BNHFDSBSDIOJGI-UHFFFAOYSA-N -1 3 339.207 3.514 20 0 EHADHM CC(C)CC[C@H]1CCCCN1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001591227415 992099399 /nfs/dbraw/zinc/09/93/99/992099399.db2.gz HEBURFQRASELJI-QGZVFWFLSA-N -1 3 332.444 3.614 20 0 EHADHM COc1ccc2c(c1)C[C@H](C)N(Cc1ccc(C(=O)[O-])cc1)[C@@H]2C ZINC001599626710 994159278 /nfs/dbraw/zinc/15/92/78/994159278.db2.gz LDRRQINDDIYVSL-UONOGXRCSA-N -1 3 325.408 3.901 20 0 EHADHM C[C@@H](NC[C@@H](O)c1ccc2ccccc2c1)c1cc(C(=O)[O-])co1 ZINC001593246346 994450401 /nfs/dbraw/zinc/45/04/01/994450401.db2.gz KKRBQHVZAXWOGE-SJKOYZFVSA-N -1 3 325.364 3.515 20 0 EHADHM COc1cccc([C@H](NCc2cccc(OCC(C)C)c2)C(=O)[O-])c1 ZINC001599659199 994629766 /nfs/dbraw/zinc/62/97/66/994629766.db2.gz IJSXDIRGZUKOLX-IBGZPJMESA-N -1 3 343.423 3.646 20 0 EHADHM C[C@H](NC[C@H]1[C@H](c2ccccc2)C1(C)C)c1ncc(C(=O)[O-])s1 ZINC001593286719 994648979 /nfs/dbraw/zinc/64/89/79/994648979.db2.gz XNUCBGRABCJLNN-WHOFXGATSA-N -1 3 330.453 3.932 20 0 EHADHM C[C@@H](NCc1ccccc1CC(=O)[O-])c1ccc(OC(F)F)cc1 ZINC001593305270 994761997 /nfs/dbraw/zinc/76/19/97/994761997.db2.gz VYAYPTMXQKZXIF-GFCCVEGCSA-N -1 3 335.350 3.766 20 0 EHADHM C[C@@H](N[C@@H](C)c1ccc(Br)cc1)c1cncc(C(=O)[O-])c1 ZINC001593353189 994974575 /nfs/dbraw/zinc/97/45/75/994974575.db2.gz PLTSZBJTLNMSRH-WDEREUQCSA-N -1 3 349.228 3.954 20 0 EHADHM O=C([N-]c1nc(-c2cccs2)ns1)c1cc(F)c(F)c(F)c1 ZINC000180323844 1015913320 /nfs/dbraw/zinc/91/33/20/1015913320.db2.gz KZTAVKPOZNJQKQ-UHFFFAOYSA-N -1 3 341.339 3.936 20 0 EHADHM Cc1cccc(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)c1[O-] ZINC000536687730 1032132695 /nfs/dbraw/zinc/13/26/95/1032132695.db2.gz HNGFDYKMXZAKDC-UHFFFAOYSA-N -1 3 344.374 3.663 20 0 EHADHM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)Cc1cc(C(=O)[O-])n(C)c1 ZINC001593693138 996142951 /nfs/dbraw/zinc/14/29/51/996142951.db2.gz KLSLZAKGYYWSIM-LLVKDONJSA-N -1 3 340.345 3.935 20 0 EHADHM COc1ccc([C@H](C)NCc2ccc(C)c(C(=O)[O-])c2)c(C)c1OC ZINC001599508355 997252137 /nfs/dbraw/zinc/25/21/37/997252137.db2.gz GUGXMLQRTVWAKQ-AWEZNQCLSA-N -1 3 343.423 3.870 20 0 EHADHM COc1ccc([C@@H](NCc2cc(C)cc(C)c2)C(=O)[O-])cc1Cl ZINC001599531206 997655806 /nfs/dbraw/zinc/65/58/06/997655806.db2.gz IBOZYHBKZCLKNC-QGZVFWFLSA-N -1 3 333.815 3.881 20 0 EHADHM CC(C)(N[C@H]1CC[C@@](C)(c2ccccc2)C1)c1nocc1C(=O)[O-] ZINC001594079846 997975113 /nfs/dbraw/zinc/97/51/13/997975113.db2.gz WGCKIEBIBZPYFR-IFXJQAMLSA-N -1 3 328.412 3.708 20 0 EHADHM C[C@]12CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)C[C@H]1C2(Cl)Cl ZINC001594087910 998021513 /nfs/dbraw/zinc/02/15/13/998021513.db2.gz NAJFRLHJORUPFM-DYEKYZERSA-N -1 3 348.657 3.981 20 0 EHADHM C[C@H]1CCN(CC(=O)Nc2cccc(C(=O)[O-])c2)CC12CCCCC2 ZINC001594414913 999551735 /nfs/dbraw/zinc/55/17/35/999551735.db2.gz SJTPLWAXOLFYLZ-HNNXBMFYSA-N -1 3 344.455 3.616 20 0 EHADHM CC(C)c1ccc(OCCNC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000683375352 1016443531 /nfs/dbraw/zinc/44/35/31/1016443531.db2.gz RPSCWSKPFMHPMA-UHFFFAOYSA-N -1 3 333.815 3.978 20 0 EHADHM Cc1ccc([C@@H](C)NCc2ncc(Br)cc2[O-])s1 ZINC000892669985 1037516064 /nfs/dbraw/zinc/51/60/64/1037516064.db2.gz YVAOMFUBHAYZJO-SECBINFHSA-N -1 3 327.247 3.770 20 0 EHADHM CN(CCc1cccc(C(F)(F)F)n1)Cc1ccc([O-])c(F)c1F ZINC001140890049 1016732360 /nfs/dbraw/zinc/73/23/60/1016732360.db2.gz SNGXQXZMHPXCLB-UHFFFAOYSA-N -1 3 346.299 3.759 20 0 EHADHM O=S(=O)(C=Cc1cccc(Cl)c1)[N-]c1cccc2n[nH]cc21 ZINC000588482664 1016818421 /nfs/dbraw/zinc/81/84/21/1016818421.db2.gz WPRJYWISVAXZTR-FPLPWBNLSA-N -1 3 333.800 3.629 20 0 EHADHM CCOC(=O)c1ncc(NC(=O)c2sccc2-c2ccccc2)[n-]1 ZINC000617873687 1016844851 /nfs/dbraw/zinc/84/48/51/1016844851.db2.gz ITPLGIIXFARXSK-UHFFFAOYSA-N -1 3 341.392 3.567 20 0 EHADHM CCOC(=O)c1nc(NC(=O)c2sccc2-c2ccccc2)c[n-]1 ZINC000617873687 1016844874 /nfs/dbraw/zinc/84/48/74/1016844874.db2.gz ITPLGIIXFARXSK-UHFFFAOYSA-N -1 3 341.392 3.567 20 0 EHADHM CCN(C[C@@H]1CCCO1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000179598481 1016878089 /nfs/dbraw/zinc/87/80/89/1016878089.db2.gz ATVZFNFXCLWSMF-KRWDZBQOSA-N -1 3 341.407 3.826 20 0 EHADHM Cc1c(C(=O)Nc2cc(F)ccc2[O-])cnn1-c1cccc(C)c1 ZINC000340313279 1016928082 /nfs/dbraw/zinc/92/80/82/1016928082.db2.gz SLPIIJZQGDAZIQ-UHFFFAOYSA-N -1 3 325.343 3.586 20 0 EHADHM CCc1cnccc1[C@H](C)NCc1cccc([O-])c1Br ZINC000459470692 1032166430 /nfs/dbraw/zinc/16/64/30/1032166430.db2.gz UMPGCKLPZSJWBS-NSHDSACASA-N -1 3 335.245 3.963 20 0 EHADHM CCOc1ccccc1CNCc1cccc([O-])c1Br ZINC000459471989 1032185329 /nfs/dbraw/zinc/18/53/29/1032185329.db2.gz OJCQIWDIGVAGFB-UHFFFAOYSA-N -1 3 336.229 3.843 20 0 EHADHM C[C@H]1CCN(C(=O)c2cc3c(cc2[O-])OCO3)CC12CCCCC2 ZINC000436667489 1032187374 /nfs/dbraw/zinc/18/73/74/1032187374.db2.gz XIGCYFZYRXKIOD-ZDUSSCGKSA-N -1 3 331.412 3.553 20 0 EHADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](C)OC[C@H]2c2ccccc2)c1 ZINC000536724805 1032216604 /nfs/dbraw/zinc/21/66/04/1032216604.db2.gz PYYMNWNDKXJTJS-KDOFPFPSSA-N -1 3 325.408 3.557 20 0 EHADHM CC(C)(C)c1cnc(NC(=O)c2c[n-]c3ccccc3c2=O)s1 ZINC000081233510 1032287532 /nfs/dbraw/zinc/28/75/32/1032287532.db2.gz DONDAGNQTHOJGW-UHFFFAOYSA-N -1 3 327.409 3.534 20 0 EHADHM C[C@H]1Oc2ccccc2[C@@H]1NCc1cccc([O-])c1Br ZINC000459571701 1032297389 /nfs/dbraw/zinc/29/73/89/1032297389.db2.gz SGXOBQIGDRGKJV-QLJPJBMISA-N -1 3 334.213 3.767 20 0 EHADHM COc1cc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)ccc1C ZINC000485135342 1032326438 /nfs/dbraw/zinc/32/64/38/1032326438.db2.gz RMWVUSGFOPPELO-UHFFFAOYSA-N -1 3 348.362 3.787 20 0 EHADHM COc1cc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)ccc1C ZINC000485135342 1032326452 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/nfs/dbraw/zinc/86/12/56/1025861256.db2.gz OZAMITZCFHFCFV-FQEVSTJZSA-N -1 3 339.435 3.731 20 0 EHADHM CC(C)c1ccc(C(=O)NCc2nc(-c3cccs3)no2)c([O-])c1 ZINC000436537385 1025864166 /nfs/dbraw/zinc/86/41/66/1025864166.db2.gz FRGSHHNMIMNGRP-UHFFFAOYSA-N -1 3 343.408 3.557 20 0 EHADHM CC[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@@H](C)O1 ZINC000436544926 1025876871 /nfs/dbraw/zinc/87/68/71/1025876871.db2.gz DZDOREKWECUMSF-CRAIPNDOSA-N -1 3 339.435 3.623 20 0 EHADHM COc1ccccc1[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC000436564622 1025893013 /nfs/dbraw/zinc/89/30/13/1025893013.db2.gz QMBIFPVJBOMCTQ-HXUWFJFHSA-N -1 3 349.386 3.626 20 0 EHADHM COc1ccc(C(=O)N2CC[C@H](C)C[C@H]2c2ccc(C)o2)c([O-])c1 ZINC000436573929 1025905598 /nfs/dbraw/zinc/90/55/98/1025905598.db2.gz JNTVXXQZZMMHRJ-LRDDRELGSA-N -1 3 329.396 3.916 20 0 EHADHM COc1ccc(C(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)c([O-])c1 ZINC000436573607 1025905710 /nfs/dbraw/zinc/90/57/10/1025905710.db2.gz JQTXREJUVYIUQN-XIKOKIGWSA-N -1 3 329.371 3.763 20 0 EHADHM CC[C@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1c(C)nn(C)c1C ZINC000436578902 1025918811 /nfs/dbraw/zinc/91/88/11/1025918811.db2.gz YBYCDCOCXGBEGH-INIZCTEOSA-N -1 3 329.444 3.747 20 0 EHADHM CC(=O)c1ccc(C(=O)NCCOc2ccc(C(C)C)cc2)cc1[O-] ZINC000436580848 1025922960 /nfs/dbraw/zinc/92/29/60/1025922960.db2.gz XWVLUGHRKJBCLC-UHFFFAOYSA-N -1 3 341.407 3.527 20 0 EHADHM COc1ccc(C(=O)Nc2cccc3c2CN(CC(C)C)C3)c([O-])c1 ZINC000436600892 1025932704 /nfs/dbraw/zinc/93/27/04/1025932704.db2.gz GRNFDEQVRLJXHK-UHFFFAOYSA-N -1 3 340.423 3.625 20 0 EHADHM O=C(NCc1ccc(O)cc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436616229 1025948048 /nfs/dbraw/zinc/94/80/48/1025948048.db2.gz CXNZFKIOVJTSGW-UHFFFAOYSA-N -1 3 333.387 3.619 20 0 EHADHM O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1c([O-])cccc1O ZINC000436649180 1025974342 /nfs/dbraw/zinc/97/43/42/1025974342.db2.gz TXQZMVCBDFHADC-LLVKDONJSA-N -1 3 335.812 3.718 20 0 EHADHM CC[C@@H](C)n1[nH]c(=NC(=O)c2cc(C(C)C)c([O-])cc2C)cc1C ZINC000436650570 1025976501 /nfs/dbraw/zinc/97/65/01/1025976501.db2.gz RYCAHBRHCMKARY-CYBMUJFWSA-N -1 3 329.444 3.974 20 0 EHADHM CC[C@H](C)n1[nH]c(=NC(=O)c2cc(C(C)C)c([O-])cc2C)cc1C ZINC000436650573 1025976692 /nfs/dbraw/zinc/97/66/92/1025976692.db2.gz RYCAHBRHCMKARY-ZDUSSCGKSA-N -1 3 329.444 3.974 20 0 EHADHM CCN(C[C@H](C)OC)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436652875 1025979582 /nfs/dbraw/zinc/97/95/82/1025979582.db2.gz BAOMUNXRVFRYMR-AWEZNQCLSA-N -1 3 329.396 3.682 20 0 EHADHM O=C(c1c([O-])cccc1O)N1CCc2c(Cl)c(Cl)ccc2C1 ZINC000436645706 1025994112 /nfs/dbraw/zinc/99/41/12/1025994112.db2.gz CKMGCZZHYAFLQS-UHFFFAOYSA-N -1 3 338.190 3.603 20 0 EHADHM CCOc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1 ZINC000443401197 1025997699 /nfs/dbraw/zinc/99/76/99/1025997699.db2.gz SSUBQESFJUNKRM-UHFFFAOYSA-N -1 3 329.780 3.679 20 0 EHADHM O=C(Nc1ncc(Cc2ccccc2F)s1)c1c([O-])cccc1O ZINC000436648872 1025998951 /nfs/dbraw/zinc/99/89/51/1025998951.db2.gz SEIXXOJKNJKMAE-UHFFFAOYSA-N -1 3 344.367 3.537 20 0 EHADHM COc1cc([C@@H](C)NC(=O)c2ccc(C)cc2[O-])ccc1OC(C)C ZINC000436674807 1026018321 /nfs/dbraw/zinc/01/83/21/1026018321.db2.gz JGQDAPKFJMVTFV-CQSZACIVSA-N -1 3 343.423 3.987 20 0 EHADHM CC(C)c1ccc(C(=O)NCc2cccc(Cn3cccn3)c2)c([O-])c1 ZINC000436678121 1026026258 /nfs/dbraw/zinc/02/62/58/1026026258.db2.gz AZOBDJWNHZWLLV-UHFFFAOYSA-N -1 3 349.434 3.690 20 0 EHADHM COc1ccc(C(=O)NCc2cccc(COC(C)(C)C)c2)c([O-])c1 ZINC000436682561 1026035545 /nfs/dbraw/zinc/03/55/45/1026035545.db2.gz WHEMQMIHURGXAR-UHFFFAOYSA-N -1 3 343.423 3.646 20 0 EHADHM CC1(C)Cc2ccc(C(=O)N3CCc4ccc(Cl)cc43)c([O-])c2O1 ZINC000436683913 1026036851 /nfs/dbraw/zinc/03/68/51/1026036851.db2.gz WKXSMHQSQZIAMP-UHFFFAOYSA-N -1 3 343.810 3.962 20 0 EHADHM Cc1ccc(C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)c([O-])c1 ZINC000436709630 1026050221 /nfs/dbraw/zinc/05/02/21/1026050221.db2.gz OPJNFAYVGPLQKM-HNNXBMFYSA-N -1 3 341.407 3.901 20 0 EHADHM Cc1ccccc1-c1cc(=NC(=O)c2cc(C)c(F)cc2F)[nH][n-]1 ZINC000530656757 1026191642 /nfs/dbraw/zinc/19/16/42/1026191642.db2.gz DQGDHVZWNLEEQE-UHFFFAOYSA-N -1 3 327.334 3.646 20 0 EHADHM CCc1nc(C)c(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)s1 ZINC000342552204 1026253267 /nfs/dbraw/zinc/25/32/67/1026253267.db2.gz FXTYGSWOQZXHPR-UHFFFAOYSA-N -1 3 345.399 3.555 20 0 EHADHM CCc1ccc([C@@H]2CCN(C(=O)Cc3ccc([O-])c(F)c3)C2)cc1 ZINC000452166617 1026535479 /nfs/dbraw/zinc/53/54/79/1026535479.db2.gz ZPRWUMOJNUBHBQ-QGZVFWFLSA-N -1 3 327.399 3.652 20 0 EHADHM CCc1cccc(C(=O)N2CC(Cc3ccccc3Cl)C2)c1[O-] ZINC000531254341 1026739304 /nfs/dbraw/zinc/73/93/04/1026739304.db2.gz REQYCAFCINQOQW-UHFFFAOYSA-N -1 3 329.827 3.923 20 0 EHADHM C[C@@H]1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C[C@@H]1C ZINC000122831962 1026786189 /nfs/dbraw/zinc/78/61/89/1026786189.db2.gz ICKFEMJZTWCHJX-NEPJUHHUSA-N -1 3 343.452 3.723 20 0 EHADHM CC(C)(C)OC(=O)CCCCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000785141327 1026858939 /nfs/dbraw/zinc/85/89/39/1026858939.db2.gz MJNAZIMVOSCLBL-UHFFFAOYSA-N -1 3 336.215 3.990 20 0 EHADHM O=S(=O)(CCc1ccccc1)[N-]c1ccc2nc(C3CC3)oc2c1 ZINC000531429911 1026904014 /nfs/dbraw/zinc/90/40/14/1026904014.db2.gz QBCKVCHZAMNMLB-UHFFFAOYSA-N -1 3 342.420 3.690 20 0 EHADHM CCOc1ncc(C)cc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000452678771 1026929531 /nfs/dbraw/zinc/92/95/31/1026929531.db2.gz GQLVRWYDDYQRPB-UHFFFAOYSA-N -1 3 332.375 3.595 20 0 EHADHM O=c1cc(CSc2nnc(-c3ccccc3F)o2)nc(C2CC2)[n-]1 ZINC000665685653 1026976534 /nfs/dbraw/zinc/97/65/34/1026976534.db2.gz FOEBKXKBGYWRQL-UHFFFAOYSA-N -1 3 344.371 3.541 20 0 EHADHM O=c1cc(CN(Cc2ccco2)Cc2ccccc2)nc(C2CC2)[n-]1 ZINC000459309970 1027475500 /nfs/dbraw/zinc/47/55/00/1027475500.db2.gz LUEISFXQOHOXMO-UHFFFAOYSA-N -1 3 335.407 3.855 20 0 EHADHM COc1ccc(C(=O)N2CCCC[C@H]2Cc2ccccc2F)c([O-])c1 ZINC000650655958 1027631409 /nfs/dbraw/zinc/63/14/09/1027631409.db2.gz QGRMWNXJTOVKOQ-HNNXBMFYSA-N -1 3 343.398 3.777 20 0 EHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)C3CCCCC3)nc2)n1 ZINC000078334680 1027677853 /nfs/dbraw/zinc/67/78/53/1027677853.db2.gz FGCAUUOQBBJQSU-ZDUSSCGKSA-N -1 3 326.444 3.775 20 0 EHADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](CC(F)F)c2ccccc2)c1 ZINC000420730956 1027705649 /nfs/dbraw/zinc/70/56/49/1027705649.db2.gz DVZHMHVUFDWLGJ-AWEZNQCLSA-N -1 3 343.370 3.809 20 0 EHADHM COc1cc(C(=O)N2CCC3(CCCCC3)CC2)cc(OC)c1[O-] ZINC000130998866 1027723102 /nfs/dbraw/zinc/72/31/02/1027723102.db2.gz FPGJGLQIEBBPHC-UHFFFAOYSA-N -1 3 333.428 3.596 20 0 EHADHM CC(=O)c1ccc(C(=O)N2CCCCC[C@@H]2c2cccn2C)cc1[O-] ZINC000665869146 1027882745 /nfs/dbraw/zinc/88/27/45/1027882745.db2.gz YRZHIEWFOYWRCP-GOSISDBHSA-N -1 3 340.423 3.691 20 0 EHADHM CC(C)(C)Oc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000132181609 1027891411 /nfs/dbraw/zinc/89/14/11/1027891411.db2.gz YZWVXGAVHCOJOY-UHFFFAOYSA-N -1 3 336.391 3.958 20 0 EHADHM O=C([O-])CC[C@@H]1CCCCN1Cc1sccc1Br ZINC000050925805 1027980677 /nfs/dbraw/zinc/98/06/77/1027980677.db2.gz JNARMWRHEGEGGT-JTQLQIEISA-N -1 3 332.263 3.730 20 0 EHADHM CC[C@H](CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1Cl)OC ZINC000421235933 1028197558 /nfs/dbraw/zinc/19/75/58/1028197558.db2.gz PTMLMRMYAFUVPB-SECBINFHSA-N -1 3 345.770 3.526 20 0 EHADHM Cc1ccc(C(C)C)cc1OCC(=O)NCc1ccc([O-])c(F)c1 ZINC000523424679 1028294960 /nfs/dbraw/zinc/29/49/60/1028294960.db2.gz JCXQXUOKLHBERR-UHFFFAOYSA-N -1 3 331.387 3.658 20 0 EHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cccc(CCC(F)(F)F)c1 ZINC000162003016 1028396500 /nfs/dbraw/zinc/39/65/00/1028396500.db2.gz PKYCWTYLZPKEMO-CYBMUJFWSA-N -1 3 332.322 3.761 20 0 EHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cccc(CCC(F)(F)F)c1 ZINC000162003016 1028396517 /nfs/dbraw/zinc/39/65/17/1028396517.db2.gz PKYCWTYLZPKEMO-CYBMUJFWSA-N -1 3 332.322 3.761 20 0 EHADHM Cc1cc(NC(=O)c2cccc(C)c2[O-])n(-c2ccc(F)cc2)n1 ZINC001143448499 1028442999 /nfs/dbraw/zinc/44/29/99/1028442999.db2.gz DNKFJCIIRCOXTC-UHFFFAOYSA-N -1 3 325.343 3.586 20 0 EHADHM C[C@H]1Sc2ccc(C(=O)Nc3cc(Cl)ccc3[O-])cc2NC1=O ZINC000072657754 1028512920 /nfs/dbraw/zinc/51/29/20/1028512920.db2.gz JFSRUDDVLXGUAC-MRVPVSSYSA-N -1 3 348.811 3.731 20 0 EHADHM CCC(=CC(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1)CC ZINC000121994909 1028531922 /nfs/dbraw/zinc/53/19/22/1028531922.db2.gz YUVQUCHEIOTYOC-UHFFFAOYSA-N -1 3 325.412 3.684 20 0 EHADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](c3ccc(OC)cc3)C2)c1 ZINC000523684556 1028539166 /nfs/dbraw/zinc/53/91/66/1028539166.db2.gz FPZZKWOHBQZBIU-MRXNPFEDSA-N -1 3 325.408 3.593 20 0 EHADHM C[C@H]1CCCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CC1 ZINC000194541364 1028541786 /nfs/dbraw/zinc/54/17/86/1028541786.db2.gz IMOLZQJDCUDSCD-LBPRGKRZSA-N -1 3 343.452 3.867 20 0 EHADHM O=C(NCc1ccccc1Br)c1cc([O-])ccc1Cl ZINC000236555611 1028551334 /nfs/dbraw/zinc/55/13/34/1028551334.db2.gz VKAAUKYGBANNOP-UHFFFAOYSA-N -1 3 340.604 3.738 20 0 EHADHM O=C(NCc1cccc(Br)c1)c1cc([O-])ccc1Cl ZINC000236555501 1028552571 /nfs/dbraw/zinc/55/25/71/1028552571.db2.gz BOYVBYORNFMYKC-UHFFFAOYSA-N -1 3 340.604 3.738 20 0 EHADHM COc1ccc(Br)nc1Nc1ccc([O-])c(F)c1F ZINC001212002596 1028628220 /nfs/dbraw/zinc/62/82/20/1028628220.db2.gz BAZRZWMVLGDPEY-UHFFFAOYSA-N -1 3 331.116 3.580 20 0 EHADHM Cc1cc(C)c(NC(=O)Cc2noc(-c3ccccc3[O-])n2)c(C)c1 ZINC000445331868 1028717509 /nfs/dbraw/zinc/71/75/09/1028717509.db2.gz JBZWRKRWKAMOJP-UHFFFAOYSA-N -1 3 337.379 3.549 20 0 EHADHM COC(=O)CCc1ccc(Nc2ccc([O-])c(F)c2F)cc1F ZINC001212016198 1028737978 /nfs/dbraw/zinc/73/79/78/1028737978.db2.gz CVSMLYIWTBORKP-UHFFFAOYSA-N -1 3 325.286 3.659 20 0 EHADHM COc1cc(-c2nc(-c3c[nH]c4ccccc43)no2)cc(OC)c1[O-] ZINC000445451119 1028784606 /nfs/dbraw/zinc/78/46/06/1028784606.db2.gz ASWXRZFBMGPCNX-UHFFFAOYSA-N -1 3 337.335 3.608 20 0 EHADHM Cc1ccc(C[S@@](=O)c2ccc([O-])cc2)cc1Br ZINC000445482821 1028840996 /nfs/dbraw/zinc/84/09/96/1028840996.db2.gz QXQGXDDYTVKOSO-GOSISDBHSA-N -1 3 325.227 3.771 20 0 EHADHM COC(=O)c1sc2ccncc2c1Nc1cc(F)c([O-])c(F)c1 ZINC001213377439 1028890078 /nfs/dbraw/zinc/89/00/78/1028890078.db2.gz PCZKZYLYTJBQKL-UHFFFAOYSA-N -1 3 336.319 3.810 20 0 EHADHM O=C([O-])CC[C@H]1CCCCN1Cc1ncc(-c2ccccc2F)o1 ZINC000424255815 1028912569 /nfs/dbraw/zinc/91/25/69/1028912569.db2.gz IEFIHKXONWMIIP-CYBMUJFWSA-N -1 3 332.375 3.700 20 0 EHADHM O=C(COc1ccc(F)cc1Cl)Nc1ccc(Cl)cc1[O-] ZINC000532836625 1028914941 /nfs/dbraw/zinc/91/49/41/1028914941.db2.gz GSLYXIBXTVCQCT-UHFFFAOYSA-N -1 3 330.142 3.856 20 0 EHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)c(C)c1 ZINC000524210894 1028971013 /nfs/dbraw/zinc/97/10/13/1028971013.db2.gz DCVGEXZWODUESJ-UHFFFAOYSA-N -1 3 349.452 3.820 20 0 EHADHM CCCOc1cc(C)ccc1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000666788306 1029106669 /nfs/dbraw/zinc/10/66/69/1029106669.db2.gz HQFBVGMTFOYMIM-UHFFFAOYSA-N -1 3 327.380 3.944 20 0 EHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CCC[C@H](F)C3)c2)n1 ZINC000424607136 1029167006 /nfs/dbraw/zinc/16/70/06/1029167006.db2.gz QTOJPFDUNPHCEW-KGLIPLIRSA-N -1 3 343.402 3.878 20 0 EHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3CCCC[C@@H]3C)cc2)n1 ZINC000424629468 1029193314 /nfs/dbraw/zinc/19/33/14/1029193314.db2.gz YDKORNNLNXMMRF-LRDDRELGSA-N -1 3 325.412 3.510 20 0 EHADHM O=C(NCc1ccccc1OC(F)F)c1cc([O-])ccc1Cl ZINC000431526883 1029244491 /nfs/dbraw/zinc/24/44/91/1029244491.db2.gz XPGHERKQHFHEMV-UHFFFAOYSA-N -1 3 327.714 3.577 20 0 EHADHM CC(C)c1ccc(S(=O)(=O)[N-]c2c(O)cccc2Cl)cc1 ZINC000647919662 1029281959 /nfs/dbraw/zinc/28/19/59/1029281959.db2.gz KOVIHZRNRQITRC-UHFFFAOYSA-N -1 3 325.817 3.970 20 0 EHADHM CCSc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000505322880 1029453956 /nfs/dbraw/zinc/45/39/56/1029453956.db2.gz MLQXTPUCBUMHLQ-UHFFFAOYSA-N -1 3 335.450 3.534 20 0 EHADHM Cc1c(Cl)c(CN2CCC[C@@H](CC(=O)[O-])C2)nc2ccccc12 ZINC000321195848 1029523561 /nfs/dbraw/zinc/52/35/61/1029523561.db2.gz FYNDTXJAGLINBO-ZDUSSCGKSA-N -1 3 332.831 3.883 20 0 EHADHM Cc1nc2ccc(NC(=O)c3ccc(Br)c([O-])c3)cc2[nH]1 ZINC000343170859 1029607803 /nfs/dbraw/zinc/60/78/03/1029607803.db2.gz QFYODHIFKVUMKN-UHFFFAOYSA-N -1 3 346.184 3.592 20 0 EHADHM [O-]c1cccc(CN(CCO)[C@@H]2CCCc3ccccc32)c1Cl ZINC000508567361 1029666932 /nfs/dbraw/zinc/66/69/32/1029666932.db2.gz 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[O-]c1cc(F)c(Nc2ccc(Br)cc2CO)c(F)c1 ZINC001175100530 1132552543 /nfs/dbraw/zinc/55/25/43/1132552543.db2.gz WTSGIIGEICQVFQ-UHFFFAOYSA-N -1 3 330.128 3.669 20 0 EHADHM O=C(CCc1ncc(-c2ccc(F)cc2F)o1)[N-]Oc1ccccc1 ZINC000773460654 1132570835 /nfs/dbraw/zinc/57/08/35/1132570835.db2.gz HHDFQABFYUBQRQ-UHFFFAOYSA-N -1 3 344.317 3.663 20 0 EHADHM O=C(Nc1ccccc1[C@H]1CCC(=O)N1)c1cc([O-])c2ccccc2c1 ZINC001168854094 1132580471 /nfs/dbraw/zinc/58/04/71/1132580471.db2.gz CCYYFTJZWDVBHS-GOSISDBHSA-N -1 3 346.386 3.749 20 0 EHADHM CCOC(=O)/C=C/c1ccc(NC(=O)c2ccc(CC)cc2[O-])cc1 ZINC001175246060 1132607150 /nfs/dbraw/zinc/60/71/50/1132607150.db2.gz TTYFFJNQZQCWCJ-XYOKQWHBSA-N -1 3 339.391 3.783 20 0 EHADHM NC(=O)c1ccc(Nc2ccc(C(F)(F)F)c(Cl)c2)cc1[O-] ZINC001175262020 1132621028 /nfs/dbraw/zinc/62/10/28/1132621028.db2.gz XQLWMBHKADBYOH-UHFFFAOYSA-N -1 3 330.693 3.907 20 0 EHADHM COc1cccc(-n2nc(C)cc2Nc2c(F)ccc([O-])c2F)c1 ZINC001175265864 1132622274 /nfs/dbraw/zinc/62/22/74/1132622274.db2.gz 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Cc1ccc(C(=O)Nc2cc(-c3ccccc3C)nn2C)c([O-])c1C ZINC001137183559 1137843422 /nfs/dbraw/zinc/84/34/22/1137843422.db2.gz LNZLNQDCEPULFY-UHFFFAOYSA-N -1 3 335.407 3.970 20 0 EHADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1nc(C)cs1 ZINC000104759563 1137879235 /nfs/dbraw/zinc/87/92/35/1137879235.db2.gz ABSBBVUUEBHIEJ-QMMMGPOBSA-N -1 3 336.891 3.596 20 0 EHADHM C[C@@H](c1cccc(Cl)c1F)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000332363113 1137941501 /nfs/dbraw/zinc/94/15/01/1137941501.db2.gz VJNYDKZCMJBCDM-VHSXEESVSA-N -1 3 325.771 3.508 20 0 EHADHM CC(C)[C@H]1OCCC[C@H]1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000332454813 1137944397 /nfs/dbraw/zinc/94/43/97/1137944397.db2.gz GFDMCPCRNNGQNX-HNAYVOBHSA-N -1 3 327.424 3.726 20 0 EHADHM CC[C@@H]1CCC[C@]1(C)C(=O)OCc1nnc(-c2ccccc2[O-])o1 ZINC000885061444 1137981725 /nfs/dbraw/zinc/98/17/25/1137981725.db2.gz NTFIAWYKMSELEI-XIKOKIGWSA-N -1 3 330.384 3.702 20 0 EHADHM O=C(NCC[C@H]1CCC2(CCC2)O1)c1cc2sccc2c([O-])c1 ZINC000886053870 1138035830 /nfs/dbraw/zinc/03/58/30/1138035830.db2.gz RDWPYRPTQRNYIL-CYBMUJFWSA-N -1 3 331.437 3.829 20 0 EHADHM CCCn1ccc2ccc(NC(=O)c3cc(F)cc4n[n-]nc43)cc21 ZINC000337470862 1138578844 /nfs/dbraw/zinc/57/88/44/1138578844.db2.gz VIUUNPDXEYKEQS-UHFFFAOYSA-N -1 3 337.358 3.714 20 0 EHADHM CCSc1ccc(CC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC000337667653 1138639039 /nfs/dbraw/zinc/63/90/39/1138639039.db2.gz UFIGHQRJKULNDC-UHFFFAOYSA-N -1 3 342.424 3.666 20 0 EHADHM O=C(CCCc1ccc(Cl)cc1)Nc1n[n-]c(-c2ccco2)n1 ZINC000338362784 1138857374 /nfs/dbraw/zinc/85/73/74/1138857374.db2.gz NDCZIDPTFIVJTK-UHFFFAOYSA-N -1 3 330.775 3.680 20 0 EHADHM CC(=O)c1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3F)C2)cc1[O-] ZINC000889082961 1139163475 /nfs/dbraw/zinc/16/34/75/1139163475.db2.gz JNLKQDAXFYZIOK-MQMHXKEQSA-N -1 3 345.345 3.549 20 0 EHADHM [O-]c1ccc(F)c(CN(Cc2ccccc2)C[C@@H]2CCCO2)c1F ZINC000350680765 1139501615 /nfs/dbraw/zinc/50/16/15/1139501615.db2.gz GKYLLFBPHSOCIP-HNNXBMFYSA-N -1 3 333.378 3.852 20 0 EHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(C(F)F)c1 ZINC000176183169 1139544095 /nfs/dbraw/zinc/54/40/95/1139544095.db2.gz IMAGQFCYZBZEGQ-UHFFFAOYSA-N -1 3 335.354 3.566 20 0 EHADHM CSc1nc(C2CC2)nc(C)c1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000179639696 1139771369 /nfs/dbraw/zinc/77/13/69/1139771369.db2.gz ZQWNZTYYSVLQDP-UHFFFAOYSA-N -1 3 349.843 3.996 20 0 EHADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](C)c2cccc(C(F)(F)F)c2)n1 ZINC000192722368 1140546740 /nfs/dbraw/zinc/54/67/40/1140546740.db2.gz LKSFQGQHIUOZKZ-WDEREUQCSA-N -1 3 325.334 3.921 20 0 EHADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H](C)c1ccc(F)c(F)c1 ZINC000195302740 1140636141 /nfs/dbraw/zinc/63/61/41/1140636141.db2.gz YOCUTNDGCLNQNM-JTQLQIEISA-N -1 3 326.293 3.637 20 0 EHADHM Cc1nc(C)c(CCC(=O)N2CCC[C@H]2CCC2CCCC2)c(=O)[n-]1 ZINC000269011459 1141046871 /nfs/dbraw/zinc/04/68/71/1141046871.db2.gz HHQXLKBTEKDCCW-KRWDZBQOSA-N -1 3 345.487 3.693 20 0 EHADHM CC[C@](C)([N-]C(=O)C(F)(F)c1ccccc1F)c1nccs1 ZINC000270858913 1141277048 /nfs/dbraw/zinc/27/70/48/1141277048.db2.gz CHHAMJGAHNFUCM-AWEZNQCLSA-N -1 3 328.359 3.816 20 0 EHADHM Cc1nc(C2CC2)oc1C(=O)[N-]c1nnc(/C=C/c2ccco2)s1 ZINC000273835265 1141429456 /nfs/dbraw/zinc/42/94/56/1141429456.db2.gz GJKHEOQXPDXRJY-VOTSOKGWSA-N -1 3 342.380 3.728 20 0 EHADHM Cc1ccc(Oc2ccc(NC([O-])=NO[C@H]3CCCCO3)cn2)cc1 ZINC000274256586 1141490568 /nfs/dbraw/zinc/49/05/68/1141490568.db2.gz XISIDBUUUUKAED-KRWDZBQOSA-N -1 3 343.383 3.762 20 0 EHADHM Cc1ccc(Oc2ccc(NC(=O)[N-]O[C@H]3CCCCO3)cn2)cc1 ZINC000274256586 1141490572 /nfs/dbraw/zinc/49/05/72/1141490572.db2.gz XISIDBUUUUKAED-KRWDZBQOSA-N -1 3 343.383 3.762 20 0 EHADHM CCc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000010342324 211167426 /nfs/dbraw/zinc/16/74/26/211167426.db2.gz UCCRPUOOSSCQBB-UHFFFAOYSA-N -1 3 345.342 3.948 20 0 EHADHM CCc1ccccc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000010342318 211167436 /nfs/dbraw/zinc/16/74/36/211167436.db2.gz KDJSVLCKYUINFG-UHFFFAOYSA-N -1 3 345.342 3.948 20 0 EHADHM O=C(Nc1nnc(-c2ccccc2Cl)s1)c1cccc([O-])c1 ZINC000010150981 211149677 /nfs/dbraw/zinc/14/96/77/211149677.db2.gz GNXJFFQEQZYHBX-UHFFFAOYSA-N -1 3 331.784 3.816 20 0 EHADHM Clc1ccc2c(c1Cl)CC[C@H]2Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737573324 598829107 /nfs/dbraw/zinc/82/91/07/598829107.db2.gz JUXXVCIVGIRAHD-GFCCVEGCSA-N -1 3 347.209 3.668 20 0 EHADHM Clc1ccc2c(c1Cl)CC[C@H]2Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737573324 598829108 /nfs/dbraw/zinc/82/91/08/598829108.db2.gz JUXXVCIVGIRAHD-GFCCVEGCSA-N -1 3 347.209 3.668 20 0 EHADHM Cc1sc(NC(=O)[C@H](C)c2cccc(C)c2)c(-c2nnn[n-]2)c1C ZINC000737383927 598829970 /nfs/dbraw/zinc/82/99/70/598829970.db2.gz GGZMDYUVWRSMDI-LLVKDONJSA-N -1 3 341.440 3.596 20 0 EHADHM Cc1sc(NC(=O)[C@H](C)c2cccc(C)c2)c(-c2nn[n-]n2)c1C ZINC000737383927 598829971 /nfs/dbraw/zinc/82/99/71/598829971.db2.gz GGZMDYUVWRSMDI-LLVKDONJSA-N -1 3 341.440 3.596 20 0 EHADHM Clc1ccc(N2CCc3c(Cl)cccc3C2)c(-c2nnn[n-]2)c1 ZINC000737572901 598854614 /nfs/dbraw/zinc/85/46/14/598854614.db2.gz BDZSCIHUIALFAX-UHFFFAOYSA-N -1 3 346.221 3.736 20 0 EHADHM Clc1ccc(N2CCc3c(Cl)cccc3C2)c(-c2nn[n-]n2)c1 ZINC000737572901 598854616 /nfs/dbraw/zinc/85/46/16/598854616.db2.gz BDZSCIHUIALFAX-UHFFFAOYSA-N -1 3 346.221 3.736 20 0 EHADHM CC[C@@H](CC1CCCC1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736352114 598905849 /nfs/dbraw/zinc/90/58/49/598905849.db2.gz VXZKHKDNTGLPMA-LBPRGKRZSA-N -1 3 331.395 3.551 20 0 EHADHM CC[C@@H](CC1CCCC1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736352114 598905851 /nfs/dbraw/zinc/90/58/51/598905851.db2.gz VXZKHKDNTGLPMA-LBPRGKRZSA-N -1 3 331.395 3.551 20 0 EHADHM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735922242 598911244 /nfs/dbraw/zinc/91/12/44/598911244.db2.gz DKJSNPAILSMSQZ-MSOLQXFVSA-N -1 3 348.406 3.699 20 0 EHADHM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735922242 598911245 /nfs/dbraw/zinc/91/12/45/598911245.db2.gz DKJSNPAILSMSQZ-MSOLQXFVSA-N -1 3 348.406 3.699 20 0 EHADHM c1c(CSC2=Nc3ccccc3C2)c(-c2nnn[n-]2)c2ccccn12 ZINC000738436403 598940872 /nfs/dbraw/zinc/94/08/72/598940872.db2.gz HQAKJFDFTFMYQW-UHFFFAOYSA-N -1 3 346.419 3.639 20 0 EHADHM c1c(CSC2=Nc3ccccc3C2)c(-c2nn[n-]n2)c2ccccn12 ZINC000738436403 598940873 /nfs/dbraw/zinc/94/08/73/598940873.db2.gz HQAKJFDFTFMYQW-UHFFFAOYSA-N -1 3 346.419 3.639 20 0 EHADHM Cc1ccc(Nc2cccc(F)c2-c2nnn[n-]2)cc1OC(F)F ZINC000737362027 598944380 /nfs/dbraw/zinc/94/43/80/598944380.db2.gz LMWAYSOFMNMNDU-UHFFFAOYSA-N -1 3 335.289 3.659 20 0 EHADHM Cc1ccc(Nc2cccc(F)c2-c2nn[n-]n2)cc1OC(F)F ZINC000737362027 598944381 /nfs/dbraw/zinc/94/43/81/598944381.db2.gz LMWAYSOFMNMNDU-UHFFFAOYSA-N -1 3 335.289 3.659 20 0 EHADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2F)CC[C@H]1c1ccccc1 ZINC000820769524 599050407 /nfs/dbraw/zinc/05/04/07/599050407.db2.gz VCPZGHGMLHVIQT-CZUORRHYSA-N -1 3 337.402 3.636 20 0 EHADHM COc1cccc(F)c1[C@H](C)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821871825 599055608 /nfs/dbraw/zinc/05/56/08/599055608.db2.gz FSJDWMITQXGTOE-VIFPVBQESA-N -1 3 347.781 3.841 20 0 EHADHM COc1cccc(F)c1[C@H](C)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821871825 599055610 /nfs/dbraw/zinc/05/56/10/599055610.db2.gz FSJDWMITQXGTOE-VIFPVBQESA-N -1 3 347.781 3.841 20 0 EHADHM CC(C)[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccccc1Cl ZINC000735733269 599058012 /nfs/dbraw/zinc/05/80/12/599058012.db2.gz GWGFBFUFGIWPJS-OAHLLOKOSA-N -1 3 328.807 3.724 20 0 EHADHM CC(C)[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccccc1Cl ZINC000735733269 599058015 /nfs/dbraw/zinc/05/80/15/599058015.db2.gz GWGFBFUFGIWPJS-OAHLLOKOSA-N -1 3 328.807 3.724 20 0 EHADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)Oc1ccccc1Cl ZINC000820281311 599063877 /nfs/dbraw/zinc/06/38/77/599063877.db2.gz VDVHMCANODGNPU-SNVBAGLBSA-N -1 3 347.781 3.539 20 0 EHADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)Oc1ccccc1Cl ZINC000820281311 599063879 /nfs/dbraw/zinc/06/38/79/599063879.db2.gz VDVHMCANODGNPU-SNVBAGLBSA-N -1 3 347.781 3.539 20 0 EHADHM C[C@H](CNc1c(Cl)cccc1-c1nnn[n-]1)Oc1ccccc1F ZINC000820276170 599066872 /nfs/dbraw/zinc/06/68/72/599066872.db2.gz TWYZAWINZAXCNL-SNVBAGLBSA-N -1 3 347.781 3.539 20 0 EHADHM C[C@H](CNc1c(Cl)cccc1-c1nn[n-]n1)Oc1ccccc1F ZINC000820276170 599066875 /nfs/dbraw/zinc/06/68/75/599066875.db2.gz TWYZAWINZAXCNL-SNVBAGLBSA-N -1 3 347.781 3.539 20 0 EHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000738164353 599069556 /nfs/dbraw/zinc/06/95/56/599069556.db2.gz WWRNVNJPGBNLIX-CHWSQXEVSA-N -1 3 345.834 3.675 20 0 EHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000738164353 599069558 /nfs/dbraw/zinc/06/95/58/599069558.db2.gz WWRNVNJPGBNLIX-CHWSQXEVSA-N -1 3 345.834 3.675 20 0 EHADHM FC(F)Oc1ccc(CSc2ccccc2-c2nnn[n-]2)cc1 ZINC000737639025 599110405 /nfs/dbraw/zinc/11/04/05/599110405.db2.gz KBRUCYASIYTGGM-UHFFFAOYSA-N -1 3 334.351 3.760 20 0 EHADHM FC(F)Oc1ccc(CSc2ccccc2-c2nn[n-]n2)cc1 ZINC000737639025 599110407 /nfs/dbraw/zinc/11/04/07/599110407.db2.gz KBRUCYASIYTGGM-UHFFFAOYSA-N -1 3 334.351 3.760 20 0 EHADHM CCO[C@@H](C)c1nc(CSc2ccccc2-c2nnn[n-]2)cs1 ZINC000821346595 599344418 /nfs/dbraw/zinc/34/44/18/599344418.db2.gz MPGXLXLPJNLMBG-JTQLQIEISA-N -1 3 347.469 3.713 20 0 EHADHM CCO[C@@H](C)c1nc(CSc2ccccc2-c2nn[n-]n2)cs1 ZINC000821346595 599344420 /nfs/dbraw/zinc/34/44/20/599344420.db2.gz MPGXLXLPJNLMBG-JTQLQIEISA-N -1 3 347.469 3.713 20 0 EHADHM O=C([O-])c1ccc(CNCc2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000426698876 597137156 /nfs/dbraw/zinc/13/71/56/597137156.db2.gz CKEFBAOWVQYQGL-UHFFFAOYSA-N -1 3 341.741 3.929 20 0 EHADHM COc1cc([C@H](C)NCc2ccc(C(=O)[O-])cc2)ccc1SC ZINC000818558001 597244913 /nfs/dbraw/zinc/24/49/13/597244913.db2.gz MPFHJXWQXVSSMI-LBPRGKRZSA-N -1 3 331.437 3.966 20 0 EHADHM c1sc(CNc2ccc(OC3CCCC3)cc2)cc1-c1nnn[n-]1 ZINC000823757033 607309478 /nfs/dbraw/zinc/30/94/78/607309478.db2.gz JSMTXPNDQXDYMM-UHFFFAOYSA-N -1 3 341.440 3.862 20 0 EHADHM c1sc(CNc2ccc(OC3CCCC3)cc2)cc1-c1nn[n-]n1 ZINC000823757033 607309479 /nfs/dbraw/zinc/30/94/79/607309479.db2.gz JSMTXPNDQXDYMM-UHFFFAOYSA-N -1 3 341.440 3.862 20 0 EHADHM C[C@H](Nc1ccc(-c2nnn[n-]2)cn1)c1cccc(Cl)c1Cl ZINC000736136161 599267866 /nfs/dbraw/zinc/26/78/66/599267866.db2.gz DLKHUUXMBLMMGV-QMMMGPOBSA-N -1 3 335.198 3.742 20 0 EHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cn1)c1cccc(Cl)c1Cl ZINC000736136161 599267868 /nfs/dbraw/zinc/26/78/68/599267868.db2.gz DLKHUUXMBLMMGV-QMMMGPOBSA-N -1 3 335.198 3.742 20 0 EHADHM C[C@@H](Sc1ncnc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192385 599285259 /nfs/dbraw/zinc/28/52/59/599285259.db2.gz MCLMLASDUJCEIH-LLVKDONJSA-N -1 3 334.408 3.663 20 0 EHADHM C[C@@H](Sc1ncnc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192385 599285260 /nfs/dbraw/zinc/28/52/60/599285260.db2.gz MCLMLASDUJCEIH-LLVKDONJSA-N -1 3 334.408 3.663 20 0 EHADHM Cc1ccc([C@H]2CCCN2c2cccc(F)c2-c2nnn[n-]2)cc1C ZINC000737334069 598241902 /nfs/dbraw/zinc/24/19/02/598241902.db2.gz XARMJQJXPQLMQX-MRXNPFEDSA-N -1 3 337.402 3.964 20 0 EHADHM Cc1ccc([C@H]2CCCN2c2cccc(F)c2-c2nn[n-]n2)cc1C ZINC000737334069 598241903 /nfs/dbraw/zinc/24/19/03/598241903.db2.gz XARMJQJXPQLMQX-MRXNPFEDSA-N -1 3 337.402 3.964 20 0 EHADHM Cc1oc(-c2ccccc2)nc1COc1ccc(-c2nn[n-]n2)cc1C ZINC000737221197 598394646 /nfs/dbraw/zinc/39/46/46/598394646.db2.gz GYVHFRKTACSNDC-UHFFFAOYSA-N -1 3 347.378 3.718 20 0 EHADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCC[C@@H](c3ccccc3)CC2)n1 ZINC000737244652 598458942 /nfs/dbraw/zinc/45/89/42/598458942.db2.gz JGMRVHWCQYSIPN-QGZVFWFLSA-N -1 3 348.454 3.653 20 0 EHADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCC[C@@H](c3ccccc3)CC2)n1 ZINC000737244652 598458944 /nfs/dbraw/zinc/45/89/44/598458944.db2.gz JGMRVHWCQYSIPN-QGZVFWFLSA-N -1 3 348.454 3.653 20 0 EHADHM C[C@H](c1ccc(Cl)cc1)[S@@](=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736199051 598491935 /nfs/dbraw/zinc/49/19/35/598491935.db2.gz MWMXPCZUXADFPF-BGJPBQGDSA-N -1 3 346.843 3.530 20 0 EHADHM C[C@H](c1ccc(Cl)cc1)[S@@](=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736199051 598491936 /nfs/dbraw/zinc/49/19/36/598491936.db2.gz MWMXPCZUXADFPF-BGJPBQGDSA-N -1 3 346.843 3.530 20 0 EHADHM CC(C)C[C@H](C)CC(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735760666 598493978 /nfs/dbraw/zinc/49/39/78/598493978.db2.gz GJRJTEDQNVNULA-HNNXBMFYSA-N -1 3 343.475 3.928 20 0 EHADHM CC(C)C[C@H](C)CC(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735760666 598493979 /nfs/dbraw/zinc/49/39/79/598493979.db2.gz GJRJTEDQNVNULA-HNNXBMFYSA-N -1 3 343.475 3.928 20 0 EHADHM CC(C)C[C@H](C)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000735760626 598494221 /nfs/dbraw/zinc/49/42/21/598494221.db2.gz FNFBKKKZMUYIAR-NSHDSACASA-N -1 3 347.488 3.818 20 0 EHADHM CC(C)C[C@H](C)CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000735760626 598494222 /nfs/dbraw/zinc/49/42/22/598494222.db2.gz FNFBKKKZMUYIAR-NSHDSACASA-N -1 3 347.488 3.818 20 0 EHADHM C[C@@H]1C[C@H](CC(=O)Nc2ccccc2-c2nnn[n-]2)CC(C)(C)C1 ZINC000736225474 598572048 /nfs/dbraw/zinc/57/20/48/598572048.db2.gz CPNLXTNGSYUPAK-CHWSQXEVSA-N -1 3 327.432 3.658 20 0 EHADHM C[C@@H]1C[C@H](CC(=O)Nc2ccccc2-c2nn[n-]n2)CC(C)(C)C1 ZINC000736225474 598572050 /nfs/dbraw/zinc/57/20/50/598572050.db2.gz CPNLXTNGSYUPAK-CHWSQXEVSA-N -1 3 327.432 3.658 20 0 EHADHM Fc1ccc(COc2ccc(Cl)cc2Cl)c(-c2nnn[n-]2)c1 ZINC000737648119 598642921 /nfs/dbraw/zinc/64/29/21/598642921.db2.gz FYUJEDZBUAZWHX-UHFFFAOYSA-N -1 3 339.157 3.892 20 0 EHADHM Fc1ccc(COc2ccc(Cl)cc2Cl)c(-c2nn[n-]n2)c1 ZINC000737648119 598642923 /nfs/dbraw/zinc/64/29/23/598642923.db2.gz FYUJEDZBUAZWHX-UHFFFAOYSA-N -1 3 339.157 3.892 20 0 EHADHM CC[C@H](C)CN(C)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000736323165 598667042 /nfs/dbraw/zinc/66/70/42/598667042.db2.gz UYINLTOIZPZERT-AWEZNQCLSA-N -1 3 349.438 3.652 20 0 EHADHM CC[C@H](C)CN(C)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000736323165 598667044 /nfs/dbraw/zinc/66/70/44/598667044.db2.gz UYINLTOIZPZERT-AWEZNQCLSA-N -1 3 349.438 3.652 20 0 EHADHM C[C@@H](Nc1cccc(OC(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820461848 599367219 /nfs/dbraw/zinc/36/72/19/599367219.db2.gz RPPIZOBWPLHQHE-SNVBAGLBSA-N -1 3 331.326 3.641 20 0 EHADHM C[C@@H](Nc1cccc(OC(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461848 599367222 /nfs/dbraw/zinc/36/72/22/599367222.db2.gz RPPIZOBWPLHQHE-SNVBAGLBSA-N -1 3 331.326 3.641 20 0 EHADHM CSCc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821970513 599376486 /nfs/dbraw/zinc/37/64/86/599376486.db2.gz OUWVDABZCCNDCR-GFCCVEGCSA-N -1 3 325.441 3.903 20 0 EHADHM CSCc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821970513 599376488 /nfs/dbraw/zinc/37/64/88/599376488.db2.gz OUWVDABZCCNDCR-GFCCVEGCSA-N -1 3 325.441 3.903 20 0 EHADHM Cc1ccc2c(c1)[C@H](Nc1cc(Cl)ccc1-c1nnn[n-]1)CC2 ZINC000737371494 599431444 /nfs/dbraw/zinc/43/14/44/599431444.db2.gz FCGUWWBADNCGFS-OAHLLOKOSA-N -1 3 325.803 3.928 20 0 EHADHM Cc1ccc2c(c1)[C@H](Nc1cc(Cl)ccc1-c1nn[n-]n1)CC2 ZINC000737371494 599431446 /nfs/dbraw/zinc/43/14/46/599431446.db2.gz FCGUWWBADNCGFS-OAHLLOKOSA-N -1 3 325.803 3.928 20 0 EHADHM Cc1ccc(C2=CCN(c3ccc(F)cc3-c3nnn[n-]3)CC2)cc1 ZINC000822231797 599467916 /nfs/dbraw/zinc/46/79/16/599467916.db2.gz HUHUWGFSZZCBIX-UHFFFAOYSA-N -1 3 335.386 3.608 20 0 EHADHM Cc1ccc(C2=CCN(c3ccc(F)cc3-c3nn[n-]n3)CC2)cc1 ZINC000822231797 599467918 /nfs/dbraw/zinc/46/79/18/599467918.db2.gz HUHUWGFSZZCBIX-UHFFFAOYSA-N -1 3 335.386 3.608 20 0 EHADHM Cc1ccc2c(c1)CC[C@@H]2Nc1c(Cl)cccc1-c1nnn[n-]1 ZINC000822275897 599493481 /nfs/dbraw/zinc/49/34/81/599493481.db2.gz ZOBVNBJWQVYJEH-HNNXBMFYSA-N -1 3 325.803 3.928 20 0 EHADHM Cc1ccc2c(c1)CC[C@@H]2Nc1c(Cl)cccc1-c1nn[n-]n1 ZINC000822275897 599493483 /nfs/dbraw/zinc/49/34/83/599493483.db2.gz ZOBVNBJWQVYJEH-HNNXBMFYSA-N -1 3 325.803 3.928 20 0 EHADHM CCc1cccc2c1OCC[C@H]2Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821492321 599516366 /nfs/dbraw/zinc/51/63/66/599516366.db2.gz LSISACGBRQNSIM-MRXNPFEDSA-N -1 3 339.374 3.504 20 0 EHADHM CCc1cccc2c1OCC[C@H]2Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821492321 599516367 /nfs/dbraw/zinc/51/63/67/599516367.db2.gz LSISACGBRQNSIM-MRXNPFEDSA-N -1 3 339.374 3.504 20 0 EHADHM Clc1nc2ccccc2cc1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000737583942 599519340 /nfs/dbraw/zinc/51/93/40/599519340.db2.gz OLDREPPXQGXUEE-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM CC[C@H](CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820882005 599534087 /nfs/dbraw/zinc/53/40/87/599534087.db2.gz HKPZZHDEZQIVTL-LSDHHAIUSA-N -1 3 349.438 3.628 20 0 EHADHM CC[C@H](CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820882005 599534088 /nfs/dbraw/zinc/53/40/88/599534088.db2.gz HKPZZHDEZQIVTL-LSDHHAIUSA-N -1 3 349.438 3.628 20 0 EHADHM COc1ccc([C@@H](C)CCNc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000821778031 599588426 /nfs/dbraw/zinc/58/84/26/599588426.db2.gz SAHYHKCAYRHVGI-LBPRGKRZSA-N -1 3 341.390 3.620 20 0 EHADHM COc1ccc([C@@H](C)CCNc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000821778031 599588427 /nfs/dbraw/zinc/58/84/27/599588427.db2.gz SAHYHKCAYRHVGI-LBPRGKRZSA-N -1 3 341.390 3.620 20 0 EHADHM O=C(/C=C/C1CC1)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000822923359 599670178 /nfs/dbraw/zinc/67/01/78/599670178.db2.gz QPHXKPKTEKZKMD-FMIVXFBMSA-N -1 3 346.390 3.543 20 0 EHADHM O=C(/C=C/C1CC1)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000822923359 599670179 /nfs/dbraw/zinc/67/01/79/599670179.db2.gz QPHXKPKTEKZKMD-FMIVXFBMSA-N -1 3 346.390 3.543 20 0 EHADHM O=C([O-])c1coc(CN2CCC[C@@H]2COc2ccc(Cl)cc2)c1 ZINC000740271017 599847718 /nfs/dbraw/zinc/84/77/18/599847718.db2.gz YYSAUVBOFLWDAE-CQSZACIVSA-N -1 3 335.787 3.675 20 0 EHADHM O=C([O-])C1CCC(NCc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000262691250 600007726 /nfs/dbraw/zinc/00/77/26/600007726.db2.gz GJPPOFSYCAWUHH-UHFFFAOYSA-N -1 3 334.416 3.682 20 0 EHADHM CCOc1c(Cl)cc(CN[C@@H](C(=O)[O-])c2ccccc2)cc1OC ZINC000262718090 600426354 /nfs/dbraw/zinc/42/63/54/600426354.db2.gz SYRFBEBJIBLURN-MRXNPFEDSA-N -1 3 349.814 3.663 20 0 EHADHM CO[C@H](CN[C@@H](C(=O)[O-])c1ccccc1F)c1ccc(Cl)cc1 ZINC000831519328 600755184 /nfs/dbraw/zinc/75/51/84/600755184.db2.gz MHOJTLIJGVLEIJ-HZPDHXFCSA-N -1 3 337.778 3.582 20 0 EHADHM CC(C)OCc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000820146049 607476363 /nfs/dbraw/zinc/47/63/63/607476363.db2.gz JIYRSJPHAIXCSM-UHFFFAOYSA-N -1 3 341.390 3.543 20 0 EHADHM CC(C)OCc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000820146049 607476364 /nfs/dbraw/zinc/47/63/64/607476364.db2.gz JIYRSJPHAIXCSM-UHFFFAOYSA-N -1 3 341.390 3.543 20 0 EHADHM CCOC[C@@H]1CCCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000581434684 601009379 /nfs/dbraw/zinc/00/93/79/601009379.db2.gz IFGHLGOYSFCSLK-IAQYHMDHSA-N -1 3 346.254 3.868 20 0 EHADHM Cc1sc(C(=O)[O-])cc1CN1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC000652409300 601625148 /nfs/dbraw/zinc/62/51/48/601625148.db2.gz DAHSCADEBKVKEA-GFCCVEGCSA-N -1 3 349.456 3.641 20 0 EHADHM O=C([O-])c1ccc(CN2CCC[C@@H](Oc3ccccc3)C2)cc1F ZINC000833313036 601638293 /nfs/dbraw/zinc/63/82/93/601638293.db2.gz LRWYROSWUIKUFI-MRXNPFEDSA-N -1 3 329.371 3.567 20 0 EHADHM COc1ccc([C@H]2CCCN2Cc2ccsc2C(=O)[O-])cc1OC ZINC000583817870 601826538 /nfs/dbraw/zinc/82/65/38/601826538.db2.gz DWMUIXZVAQNZAE-CQSZACIVSA-N -1 3 347.436 3.801 20 0 EHADHM CN(CCOc1ccccc1Cl)Cc1ccc(C(=O)[O-])s1 ZINC000577226704 601938394 /nfs/dbraw/zinc/93/83/94/601938394.db2.gz NMWYQVOMYKAYAH-UHFFFAOYSA-N -1 3 325.817 3.611 20 0 EHADHM O=C([O-])Nc1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000740711505 602503870 /nfs/dbraw/zinc/50/38/70/602503870.db2.gz CYLFVYKBTYLOOL-UHFFFAOYSA-N -1 3 339.395 3.625 20 0 EHADHM O=C([O-])N1CC[C@H](CN2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000740502094 602977764 /nfs/dbraw/zinc/97/77/64/602977764.db2.gz DJSUXMRKHNISRQ-MLGOLLRUSA-N -1 3 348.493 3.757 20 0 EHADHM COc1cc(Cl)c(C=Cc2ccc(-c3nnn[n-]3)cn2)cc1Cl ZINC000826180257 607813992 /nfs/dbraw/zinc/81/39/92/607813992.db2.gz ZLIXBVRCOBMHKE-RQOWECAXSA-N -1 3 348.193 3.748 20 0 EHADHM COc1cc(Cl)c(C=Cc2ccc(-c3nn[n-]n3)cn2)cc1Cl ZINC000826180257 607813993 /nfs/dbraw/zinc/81/39/93/607813993.db2.gz ZLIXBVRCOBMHKE-RQOWECAXSA-N -1 3 348.193 3.748 20 0 EHADHM CCc1cccc(CC)c1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825722726 607668004 /nfs/dbraw/zinc/66/80/04/607668004.db2.gz KVEGCCMNCPIORK-UHFFFAOYSA-N -1 3 335.411 3.552 20 0 EHADHM CCc1cccc(CC)c1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825722726 607668006 /nfs/dbraw/zinc/66/80/06/607668006.db2.gz KVEGCCMNCPIORK-UHFFFAOYSA-N -1 3 335.411 3.552 20 0 EHADHM Cc1cc(Cl)c2c(c1)[C@H](N[C@@H]1CCCN(C(=O)[O-])C1)CCCO2 ZINC000832885928 604772818 /nfs/dbraw/zinc/77/28/18/604772818.db2.gz RFNGYBFLYXNMNK-IUODEOHRSA-N -1 3 338.835 3.594 20 0 EHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cn2c3ccccc3oc2=S)C1 ZINC000833420477 604863794 /nfs/dbraw/zinc/86/37/94/604863794.db2.gz SJTYEQRYWGSRBN-LBPRGKRZSA-N -1 3 334.441 3.744 20 0 EHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2ncc(-c3cccs3)o2)C1 ZINC000652499525 604947497 /nfs/dbraw/zinc/94/74/97/604947497.db2.gz AJDQTHAAOYXSIU-LBPRGKRZSA-N -1 3 334.441 3.726 20 0 EHADHM CC(C)c1ccc([C@@H](CN[C@@H](C)c2cncs2)NC(=O)[O-])cc1 ZINC000824465049 604971145 /nfs/dbraw/zinc/97/11/45/604971145.db2.gz YHQKHHQBSCTSLU-SWLSCSKDSA-N -1 3 333.457 3.926 20 0 EHADHM CCN(C[C@@H]1CCCO1)[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000582246681 605043531 /nfs/dbraw/zinc/04/35/31/605043531.db2.gz MNTHFZBWEOSKRI-FZMZJTMJSA-N -1 3 332.227 3.620 20 0 EHADHM C[C@]1(NCc2ncc(-c3ccccc3F)o2)CCCC[C@@H]1C(=O)[O-] ZINC000833567973 605062892 /nfs/dbraw/zinc/06/28/92/605062892.db2.gz CBVYFSFYVXEPDT-ACJLOTCBSA-N -1 3 332.375 3.604 20 0 EHADHM C[C@@]1(NCc2c(F)c(F)c(F)c(F)c2F)CCCC[C@@H]1C(=O)[O-] ZINC000833573452 605065987 /nfs/dbraw/zinc/06/59/87/605065987.db2.gz XMRSRNQTNGRZFN-ANRSDYALSA-N -1 3 337.288 3.505 20 0 EHADHM C[C@H](C[C@@H](O)c1cccs1)Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824390988 607732583 /nfs/dbraw/zinc/73/25/83/607732583.db2.gz FYKYRLYCWBNTFM-NOZJJQNGSA-N -1 3 349.847 3.506 20 0 EHADHM C[C@H](C[C@@H](O)c1cccs1)Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824390988 607732585 /nfs/dbraw/zinc/73/25/85/607732585.db2.gz FYKYRLYCWBNTFM-NOZJJQNGSA-N -1 3 349.847 3.506 20 0 EHADHM CCc1oc(C(=O)[O-])cc1CN[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000833681330 605174237 /nfs/dbraw/zinc/17/42/37/605174237.db2.gz YGWWZDQXAHAWGH-PBHICJAKSA-N -1 3 343.423 3.798 20 0 EHADHM O=C([O-])N(CC1CC1)C1CCN(Cc2nccc3ccccc32)CC1 ZINC000834063343 605612377 /nfs/dbraw/zinc/61/23/77/605612377.db2.gz VZUABFTYOQFMLC-UHFFFAOYSA-N -1 3 339.439 3.589 20 0 EHADHM c1ccc(C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)c2ccccc2)cc1 ZINC000823780364 606036361 /nfs/dbraw/zinc/03/63/61/606036361.db2.gz RUICKKAXTQEKBM-IBGZPJMESA-N -1 3 342.406 3.658 20 0 EHADHM c1ccc(C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)c2ccccc2)cc1 ZINC000823780364 606036365 /nfs/dbraw/zinc/03/63/65/606036365.db2.gz RUICKKAXTQEKBM-IBGZPJMESA-N -1 3 342.406 3.658 20 0 EHADHM CCC1(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)CC1 ZINC000820945378 606125920 /nfs/dbraw/zinc/12/59/20/606125920.db2.gz RYUPNOVFKKYXJY-UHFFFAOYSA-N -1 3 345.472 3.716 20 0 EHADHM CCC1(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)CC1 ZINC000820945378 606125921 /nfs/dbraw/zinc/12/59/21/606125921.db2.gz RYUPNOVFKKYXJY-UHFFFAOYSA-N -1 3 345.472 3.716 20 0 EHADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)c1ncc(-c2ccccc2)o1 ZINC000820536547 606181944 /nfs/dbraw/zinc/18/19/44/606181944.db2.gz VRLODSUPKRGRBQ-LBPRGKRZSA-N -1 3 333.351 3.662 20 0 EHADHM CC[C@@H](CC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000820882227 606273118 /nfs/dbraw/zinc/27/31/18/606273118.db2.gz MTAYUWOSPIKXBU-LBPRGKRZSA-N -1 3 339.374 3.528 20 0 EHADHM CC[C@@H](CC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000820882227 606273120 /nfs/dbraw/zinc/27/31/20/606273120.db2.gz MTAYUWOSPIKXBU-LBPRGKRZSA-N -1 3 339.374 3.528 20 0 EHADHM C/C=C(/C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000820826503 606283224 /nfs/dbraw/zinc/28/32/24/606283224.db2.gz NBZCAVLCTUDWJA-QCDXTXTGSA-N -1 3 349.394 3.872 20 0 EHADHM C/C=C(/C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000820826503 606283227 /nfs/dbraw/zinc/28/32/27/606283227.db2.gz NBZCAVLCTUDWJA-QCDXTXTGSA-N -1 3 349.394 3.872 20 0 EHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Oc2ccccc2)o1 ZINC000365843862 606360627 /nfs/dbraw/zinc/36/06/27/606360627.db2.gz NEHWJWJFAKBJFW-UHFFFAOYSA-N -1 3 347.334 3.504 20 0 EHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Oc2ccccc2)o1 ZINC000365843862 606360629 /nfs/dbraw/zinc/36/06/29/606360629.db2.gz NEHWJWJFAKBJFW-UHFFFAOYSA-N -1 3 347.334 3.504 20 0 EHADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N[C@H](c1ccccc1)C1CC1 ZINC000822736577 606445366 /nfs/dbraw/zinc/44/53/66/606445366.db2.gz HFOCYDKUSJXZJE-OAHLLOKOSA-N -1 3 327.338 3.708 20 0 EHADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N[C@H](c1ccccc1)C1CC1 ZINC000822736577 606445367 /nfs/dbraw/zinc/44/53/67/606445367.db2.gz HFOCYDKUSJXZJE-OAHLLOKOSA-N -1 3 327.338 3.708 20 0 EHADHM Cc1ccc([C@@H]2[C@H](C)CCCN2c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000822231817 606475755 /nfs/dbraw/zinc/47/57/55/606475755.db2.gz IKSYWEXZMWZNFP-KDOFPFPSSA-N -1 3 334.427 3.548 20 0 EHADHM Cc1ccc([C@@H]2[C@H](C)CCCN2c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000822231817 606475756 /nfs/dbraw/zinc/47/57/56/606475756.db2.gz IKSYWEXZMWZNFP-KDOFPFPSSA-N -1 3 334.427 3.548 20 0 EHADHM CC(C)c1ccc([C@H](C)NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000820192323 606481579 /nfs/dbraw/zinc/48/15/79/606481579.db2.gz JOQXKUZKMINISM-NSHDSACASA-N -1 3 341.440 3.543 20 0 EHADHM CC(C)c1ccc([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000820192323 606481580 /nfs/dbraw/zinc/48/15/80/606481580.db2.gz JOQXKUZKMINISM-NSHDSACASA-N -1 3 341.440 3.543 20 0 EHADHM C[C@@H](Nc1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1F ZINC000821995067 606594168 /nfs/dbraw/zinc/59/41/68/606594168.db2.gz ZFYFFBFKUDPAMZ-SSDOTTSWSA-N -1 3 337.280 3.596 20 0 EHADHM C[C@@H](Nc1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1F ZINC000821995067 606594169 /nfs/dbraw/zinc/59/41/69/606594169.db2.gz ZFYFFBFKUDPAMZ-SSDOTTSWSA-N -1 3 337.280 3.596 20 0 EHADHM Fc1ccc(NC[C@H]2CCC[C@H](C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000822778236 606595219 /nfs/dbraw/zinc/59/52/19/606595219.db2.gz GHJSIJAXLMVRNB-UWVGGRQHSA-N -1 3 343.328 3.786 20 0 EHADHM Fc1ccc(NC[C@H]2CCC[C@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000822778236 606595220 /nfs/dbraw/zinc/59/52/20/606595220.db2.gz GHJSIJAXLMVRNB-UWVGGRQHSA-N -1 3 343.328 3.786 20 0 EHADHM C[C@@H](SCc1cn2ccccc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820549664 606598421 /nfs/dbraw/zinc/59/84/21/606598421.db2.gz PZMVIZGNGUERGJ-GFCCVEGCSA-N -1 3 336.424 3.509 20 0 EHADHM C[C@@H](SCc1cn2ccccc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820549664 606598423 /nfs/dbraw/zinc/59/84/23/606598423.db2.gz PZMVIZGNGUERGJ-GFCCVEGCSA-N -1 3 336.424 3.509 20 0 EHADHM Fc1ccc2oc(C(Cl)=Cc3cc(-c4nnn[n-]4)cs3)nc2c1 ZINC000822786235 606764199 /nfs/dbraw/zinc/76/41/99/606764199.db2.gz FPWBFAJBPAQWGC-YHYXMXQVSA-N -1 3 347.762 3.945 20 0 EHADHM Fc1ccc2oc(C(Cl)=Cc3cc(-c4nn[n-]n4)cs3)nc2c1 ZINC000822786235 606764200 /nfs/dbraw/zinc/76/42/00/606764200.db2.gz FPWBFAJBPAQWGC-YHYXMXQVSA-N -1 3 347.762 3.945 20 0 EHADHM FC(F)(F)c1ccc(NCc2ccc(Cl)o2)c(-c2nnn[n-]2)c1 ZINC000822728697 606918255 /nfs/dbraw/zinc/91/82/55/606918255.db2.gz JUARRKQJXWOGKJ-UHFFFAOYSA-N -1 3 343.696 3.744 20 0 EHADHM FC(F)(F)c1ccc(NCc2ccc(Cl)o2)c(-c2nn[n-]n2)c1 ZINC000822728697 606918256 /nfs/dbraw/zinc/91/82/56/606918256.db2.gz JUARRKQJXWOGKJ-UHFFFAOYSA-N -1 3 343.696 3.744 20 0 EHADHM c1csc(-c2cc(CSc3cccc(-c4nnn[n-]4)c3)no2)c1 ZINC000823762097 607012674 /nfs/dbraw/zinc/01/26/74/607012674.db2.gz IJTILHGJCSZJPW-UHFFFAOYSA-N -1 3 341.421 3.876 20 0 EHADHM c1csc(-c2cc(CSc3cccc(-c4nn[n-]n4)c3)no2)c1 ZINC000823762097 607012677 /nfs/dbraw/zinc/01/26/77/607012677.db2.gz IJTILHGJCSZJPW-UHFFFAOYSA-N -1 3 341.421 3.876 20 0 EHADHM Cc1cccc([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000822299934 607032548 /nfs/dbraw/zinc/03/25/48/607032548.db2.gz ZPGSDXHVBGJTDJ-INIZCTEOSA-N -1 3 340.818 3.565 20 0 EHADHM Cc1cccc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000822299934 607032549 /nfs/dbraw/zinc/03/25/49/607032549.db2.gz ZPGSDXHVBGJTDJ-INIZCTEOSA-N -1 3 340.818 3.565 20 0 EHADHM CCOc1cc(Cl)ccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000821395243 607033280 /nfs/dbraw/zinc/03/32/80/607033280.db2.gz UFLGCBCYPYICBH-UHFFFAOYSA-N -1 3 329.791 3.531 20 0 EHADHM CCOc1cc(Cl)ccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000821395243 607033281 /nfs/dbraw/zinc/03/32/81/607033281.db2.gz UFLGCBCYPYICBH-UHFFFAOYSA-N -1 3 329.791 3.531 20 0 EHADHM Cc1cccc2c(Oc3cc(Cl)ccc3-c3nnn[n-]3)ncnc12 ZINC000822337174 607174915 /nfs/dbraw/zinc/17/49/15/607174915.db2.gz UXSDXMVLEKAOHI-UHFFFAOYSA-N -1 3 338.758 3.564 20 0 EHADHM Cc1cccc2c(Oc3cc(Cl)ccc3-c3nn[n-]n3)ncnc12 ZINC000822337174 607174916 /nfs/dbraw/zinc/17/49/16/607174916.db2.gz UXSDXMVLEKAOHI-UHFFFAOYSA-N -1 3 338.758 3.564 20 0 EHADHM O=C(c1sccc1-c1nnn[n-]1)N1CCC[C@H]1CCC1CCCC1 ZINC000823498000 607225609 /nfs/dbraw/zinc/22/56/09/607225609.db2.gz DDQFGTPGFQCOCF-ZDUSSCGKSA-N -1 3 345.472 3.503 20 0 EHADHM O=C(c1sccc1-c1nn[n-]n1)N1CCC[C@H]1CCC1CCCC1 ZINC000823498000 607225610 /nfs/dbraw/zinc/22/56/10/607225610.db2.gz DDQFGTPGFQCOCF-ZDUSSCGKSA-N -1 3 345.472 3.503 20 0 EHADHM Cc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826289218 607793265 /nfs/dbraw/zinc/79/32/65/607793265.db2.gz QGNZPYJFEQURBO-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826289218 607793266 /nfs/dbraw/zinc/79/32/66/607793266.db2.gz QGNZPYJFEQURBO-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)c(Br)c1 ZINC000826285778 607807894 /nfs/dbraw/zinc/80/78/94/607807894.db2.gz JORXGFIZTYHXAR-GQCTYLIASA-N -1 3 342.200 3.503 20 0 EHADHM Cc1ccc(C=Cc2ccc(-c3nn[n-]n3)cn2)c(Br)c1 ZINC000826285778 607807895 /nfs/dbraw/zinc/80/78/95/607807895.db2.gz JORXGFIZTYHXAR-GQCTYLIASA-N -1 3 342.200 3.503 20 0 EHADHM COCc1cccc(CSc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826164677 607843799 /nfs/dbraw/zinc/84/37/99/607843799.db2.gz KQKDSSUYHVFEAM-UHFFFAOYSA-N -1 3 346.843 3.959 20 0 EHADHM COCc1cccc(CSc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826164677 607843800 /nfs/dbraw/zinc/84/38/00/607843800.db2.gz KQKDSSUYHVFEAM-UHFFFAOYSA-N -1 3 346.843 3.959 20 0 EHADHM Fc1cc(-c2nnn[n-]2)ccc1CSCc1csc(C2CC2)n1 ZINC000826372142 607984714 /nfs/dbraw/zinc/98/47/14/607984714.db2.gz JPOOPBKLNURUKQ-UHFFFAOYSA-N -1 3 347.444 3.773 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1CSCc1csc(C2CC2)n1 ZINC000826372142 607984715 /nfs/dbraw/zinc/98/47/15/607984715.db2.gz JPOOPBKLNURUKQ-UHFFFAOYSA-N -1 3 347.444 3.773 20 0 EHADHM Cc1ccc(Br)c(NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826281396 608048875 /nfs/dbraw/zinc/04/88/75/608048875.db2.gz PSPKZIKSWJEARG-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM Cc1ccc(Br)c(NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826281396 608048876 /nfs/dbraw/zinc/04/88/76/608048876.db2.gz PSPKZIKSWJEARG-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM c1csc([C@H]2CCCN2c2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000826526064 608222497 /nfs/dbraw/zinc/22/24/97/608222497.db2.gz JPYWCRRIXRLACO-OAHLLOKOSA-N -1 3 348.435 3.818 20 0 EHADHM c1csc([C@H]2CCCN2c2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC000826526064 608222499 /nfs/dbraw/zinc/22/24/99/608222499.db2.gz JPYWCRRIXRLACO-OAHLLOKOSA-N -1 3 348.435 3.818 20 0 EHADHM CC(C)CCC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824243073 608304937 /nfs/dbraw/zinc/30/49/37/608304937.db2.gz CWXUDNSZQHDBKL-UHFFFAOYSA-N -1 3 349.438 3.586 20 0 EHADHM CC(C)CCC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824243073 608304939 /nfs/dbraw/zinc/30/49/39/608304939.db2.gz CWXUDNSZQHDBKL-UHFFFAOYSA-N -1 3 349.438 3.586 20 0 EHADHM CCC(CC)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825095939 608327553 /nfs/dbraw/zinc/32/75/53/608327553.db2.gz KTEMMKKGHULDEZ-UHFFFAOYSA-N -1 3 349.438 3.586 20 0 EHADHM CCC(CC)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825095939 608327554 /nfs/dbraw/zinc/32/75/54/608327554.db2.gz KTEMMKKGHULDEZ-UHFFFAOYSA-N -1 3 349.438 3.586 20 0 EHADHM CSc1cccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)c1C ZINC000826230818 608390701 /nfs/dbraw/zinc/39/07/01/608390701.db2.gz KUFXPCLWOIIJQA-UHFFFAOYSA-N -1 3 329.404 3.648 20 0 EHADHM CSc1cccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)c1C ZINC000826230818 608390703 /nfs/dbraw/zinc/39/07/03/608390703.db2.gz KUFXPCLWOIIJQA-UHFFFAOYSA-N -1 3 329.404 3.648 20 0 EHADHM C[C@@H](Sc1ccc(N)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000824752927 608402398 /nfs/dbraw/zinc/40/23/98/608402398.db2.gz AGAUCNMOCOUGCR-SECBINFHSA-N -1 3 331.832 3.956 20 0 EHADHM C[C@@H](Sc1ccc(N)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000824752927 608402401 /nfs/dbraw/zinc/40/24/01/608402401.db2.gz AGAUCNMOCOUGCR-SECBINFHSA-N -1 3 331.832 3.956 20 0 EHADHM C[C@@H](NCc1c(F)cccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000824605834 608489807 /nfs/dbraw/zinc/48/98/07/608489807.db2.gz METGZNZITVUYDU-SNVBAGLBSA-N -1 3 331.782 3.510 20 0 EHADHM Clc1cscc1CN(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826353944 608520261 /nfs/dbraw/zinc/52/02/61/608520261.db2.gz KDJHBIMMTIFFIM-UHFFFAOYSA-N -1 3 345.859 3.746 20 0 EHADHM Clc1cscc1CN(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826353944 608520263 /nfs/dbraw/zinc/52/02/63/608520263.db2.gz KDJHBIMMTIFFIM-UHFFFAOYSA-N -1 3 345.859 3.746 20 0 EHADHM Cc1ccc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000826291197 608571771 /nfs/dbraw/zinc/57/17/71/608571771.db2.gz UNPSIFGKHIPPAO-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1ccc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000826291197 608571773 /nfs/dbraw/zinc/57/17/73/608571773.db2.gz UNPSIFGKHIPPAO-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)CCCc1ccccc1 ZINC000826277400 608584576 /nfs/dbraw/zinc/58/45/76/608584576.db2.gz SQNATNORIRNOMJ-OAHLLOKOSA-N -1 3 349.438 3.773 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)CCCc1ccccc1 ZINC000826277400 608584578 /nfs/dbraw/zinc/58/45/78/608584578.db2.gz SQNATNORIRNOMJ-OAHLLOKOSA-N -1 3 349.438 3.773 20 0 EHADHM FC(F)SCc1ccc(CNc2cccc(-c3nnn[n-]3)c2)o1 ZINC000320186970 608867440 /nfs/dbraw/zinc/86/74/40/608867440.db2.gz OVAUEASNCXQCDM-UHFFFAOYSA-N -1 3 337.355 3.528 20 0 EHADHM FC(F)SCc1ccc(CNc2cccc(-c3nn[n-]n3)c2)o1 ZINC000320186970 608867443 /nfs/dbraw/zinc/86/74/43/608867443.db2.gz OVAUEASNCXQCDM-UHFFFAOYSA-N -1 3 337.355 3.528 20 0 EHADHM Cc1cc(N(C)C)ccc1N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826268768 609160327 /nfs/dbraw/zinc/16/03/27/609160327.db2.gz MOVLZJTYXZJKRA-LJQANCHMSA-N -1 3 348.454 3.731 20 0 EHADHM Cc1ccc2cccc(N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)c2n1 ZINC000826295040 609274245 /nfs/dbraw/zinc/27/42/45/609274245.db2.gz NZVBBWNXXNQFTD-CYBMUJFWSA-N -1 3 330.395 3.896 20 0 EHADHM Cc1ccc2cccc(N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)c2n1 ZINC000826295040 609274247 /nfs/dbraw/zinc/27/42/47/609274247.db2.gz NZVBBWNXXNQFTD-CYBMUJFWSA-N -1 3 330.395 3.896 20 0 EHADHM Cc1cc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)ccc1N(C)C ZINC000826271632 609277399 /nfs/dbraw/zinc/27/73/99/609277399.db2.gz ZPBUTEMZMQVYES-GOSISDBHSA-N -1 3 348.454 3.731 20 0 EHADHM CCc1cc(NC(=S)Nc2ccccc2-c2nnn[n-]2)ccc1C ZINC000825700819 609310756 /nfs/dbraw/zinc/31/07/56/609310756.db2.gz UJXOYFQLWMCQSW-UHFFFAOYSA-N -1 3 338.440 3.546 20 0 EHADHM CCc1cc(NC(=S)Nc2ccccc2-c2nn[n-]n2)ccc1C ZINC000825700819 609310759 /nfs/dbraw/zinc/31/07/59/609310759.db2.gz UJXOYFQLWMCQSW-UHFFFAOYSA-N -1 3 338.440 3.546 20 0 EHADHM Fc1cc(Cl)cc(F)c1NCc1cccc(-c2nnn[n-]2)c1F ZINC000826372396 609482012 /nfs/dbraw/zinc/48/20/12/609482012.db2.gz UKBPDAXEJZHCAR-UHFFFAOYSA-N -1 3 339.708 3.550 20 0 EHADHM Fc1cc(Cl)cc(F)c1NCc1cccc(-c2nn[n-]n2)c1F ZINC000826372396 609482016 /nfs/dbraw/zinc/48/20/16/609482016.db2.gz UKBPDAXEJZHCAR-UHFFFAOYSA-N -1 3 339.708 3.550 20 0 EHADHM CCOc1cccc(CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000825649089 609487916 /nfs/dbraw/zinc/48/79/16/609487916.db2.gz KVKSDXWWPUTHDU-LBPRGKRZSA-N -1 3 341.440 3.655 20 0 EHADHM CCOc1cccc(CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000825649089 609487918 /nfs/dbraw/zinc/48/79/18/609487918.db2.gz KVKSDXWWPUTHDU-LBPRGKRZSA-N -1 3 341.440 3.655 20 0 EHADHM Cc1ccnc(NC(c2ccccc2)c2ccccc2)c1-c1nnn[n-]1 ZINC000826311600 609519481 /nfs/dbraw/zinc/51/94/81/609519481.db2.gz JBEVDBWAXGNKNY-UHFFFAOYSA-N -1 3 342.406 3.772 20 0 EHADHM Cc1ccnc(NC(c2ccccc2)c2ccccc2)c1-c1nn[n-]n1 ZINC000826311600 609519483 /nfs/dbraw/zinc/51/94/83/609519483.db2.gz JBEVDBWAXGNKNY-UHFFFAOYSA-N -1 3 342.406 3.772 20 0 EHADHM Cc1ccccc1[C@@H](C)Nc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000826305671 609527266 /nfs/dbraw/zinc/52/72/66/609527266.db2.gz FBHPDIDTZDSOQY-LLVKDONJSA-N -1 3 328.807 3.705 20 0 EHADHM Cc1ccccc1[C@@H](C)Nc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000826305671 609527268 /nfs/dbraw/zinc/52/72/68/609527268.db2.gz FBHPDIDTZDSOQY-LLVKDONJSA-N -1 3 328.807 3.705 20 0 EHADHM C[C@@H]1CC(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)C[C@@H](C)C1 ZINC000824874874 609592563 /nfs/dbraw/zinc/59/25/63/609592563.db2.gz HAVJZDNOZRHGAQ-QWRGUYRKSA-N -1 3 347.850 3.555 20 0 EHADHM C[C@@H]1CC(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)C[C@@H](C)C1 ZINC000824874874 609592564 /nfs/dbraw/zinc/59/25/64/609592564.db2.gz HAVJZDNOZRHGAQ-QWRGUYRKSA-N -1 3 347.850 3.555 20 0 EHADHM C[C@@H](C(=O)Nc1sccc1-c1nnn[n-]1)c1ccc2ccccc2c1 ZINC000819877627 945306232 /nfs/dbraw/zinc/30/62/32/945306232.db2.gz ZGTJFRNKXTZHLL-LLVKDONJSA-N -1 3 349.419 3.824 20 0 EHADHM C[C@@H](C(=O)Nc1sccc1-c1nn[n-]n1)c1ccc2ccccc2c1 ZINC000819877627 945306239 /nfs/dbraw/zinc/30/62/39/945306239.db2.gz ZGTJFRNKXTZHLL-LLVKDONJSA-N -1 3 349.419 3.824 20 0 EHADHM COc1ccccc1C[C@H](C)N(C)Cc1ccc(C(=O)[O-])cc1F ZINC000325219829 971193750 /nfs/dbraw/zinc/19/37/50/971193750.db2.gz QABOHYMFMXZDDP-ZDUSSCGKSA-N -1 3 331.387 3.596 20 0 EHADHM Fc1ccc(CN2CC[C@@H]2c2ccc(Cl)cc2)c(-c2nnn[n-]2)c1 ZINC000822766238 946169642 /nfs/dbraw/zinc/16/96/42/946169642.db2.gz GLKONLMEECYMBG-MRXNPFEDSA-N -1 3 343.793 3.606 20 0 EHADHM Fc1ccc(CN2CC[C@@H]2c2ccc(Cl)cc2)c(-c2nn[n-]n2)c1 ZINC000822766238 946169650 /nfs/dbraw/zinc/16/96/50/946169650.db2.gz GLKONLMEECYMBG-MRXNPFEDSA-N -1 3 343.793 3.606 20 0 EHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cc(-c3ccccc3)on2)C1 ZINC000325441185 971215741 /nfs/dbraw/zinc/21/57/41/971215741.db2.gz LQHJAQVTOINCCY-OAHLLOKOSA-N -1 3 328.412 3.664 20 0 EHADHM Cc1c(C(=O)[O-])cc(CN[C@H](C)c2cccc(OC(C)C)c2)n1C ZINC000326446845 971293879 /nfs/dbraw/zinc/29/38/79/971293879.db2.gz XUONLWITLZUVDU-CYBMUJFWSA-N -1 3 330.428 3.670 20 0 EHADHM C[C@@H]1CC[C@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)C1 ZINC000824906917 946986124 /nfs/dbraw/zinc/98/61/24/946986124.db2.gz FFKGIPAGKMERFA-MNOVXSKESA-N -1 3 345.472 3.572 20 0 EHADHM C[C@@H]1CC[C@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)C1 ZINC000824906917 946986129 /nfs/dbraw/zinc/98/61/29/946986129.db2.gz FFKGIPAGKMERFA-MNOVXSKESA-N -1 3 345.472 3.572 20 0 EHADHM C/C=C(/C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825029034 947052076 /nfs/dbraw/zinc/05/20/76/947052076.db2.gz LWGBTXFOPONYOQ-HNFXJGKRSA-N -1 3 347.422 3.677 20 0 EHADHM C/C=C(/C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825029034 947052086 /nfs/dbraw/zinc/05/20/86/947052086.db2.gz LWGBTXFOPONYOQ-HNFXJGKRSA-N -1 3 347.422 3.677 20 0 EHADHM CCCOc1ccc([C@H](C)Nc2nccc(C)c2-c2nnn[n-]2)cc1 ZINC000825338842 947158215 /nfs/dbraw/zinc/15/82/15/947158215.db2.gz ITLFFKKEKWHTIG-ZDUSSCGKSA-N -1 3 338.415 3.532 20 0 EHADHM CCCOc1ccc([C@H](C)Nc2nccc(C)c2-c2nn[n-]n2)cc1 ZINC000825338842 947158222 /nfs/dbraw/zinc/15/82/22/947158222.db2.gz ITLFFKKEKWHTIG-ZDUSSCGKSA-N -1 3 338.415 3.532 20 0 EHADHM CCOc1ccccc1[C@@H](CC)Nc1nccc(C)c1-c1nnn[n-]1 ZINC000825653718 947279672 /nfs/dbraw/zinc/27/96/72/947279672.db2.gz IMOQLKNGEOGXDO-CQSZACIVSA-N -1 3 338.415 3.532 20 0 EHADHM CCOc1ccccc1[C@@H](CC)Nc1nccc(C)c1-c1nn[n-]n1 ZINC000825653718 947279683 /nfs/dbraw/zinc/27/96/83/947279683.db2.gz IMOQLKNGEOGXDO-CQSZACIVSA-N -1 3 338.415 3.532 20 0 EHADHM Cc1c2nc(NCc3cccc(-c4nnn[n-]4)c3)sc2ccc1F ZINC000826240864 947713768 /nfs/dbraw/zinc/71/37/68/947713768.db2.gz JLKSBTPUSNXYMJ-UHFFFAOYSA-N -1 3 340.387 3.536 20 0 EHADHM Cc1c2nc(NCc3cccc(-c4nn[n-]n4)c3)sc2ccc1F ZINC000826240864 947713772 /nfs/dbraw/zinc/71/37/72/947713772.db2.gz JLKSBTPUSNXYMJ-UHFFFAOYSA-N -1 3 340.387 3.536 20 0 EHADHM Cc1ccc([C@H]2CCCN2c2nccc(C)c2-c2nnn[n-]2)cc1C ZINC000826286162 947824966 /nfs/dbraw/zinc/82/49/66/947824966.db2.gz UDDBTUDYCBBFOO-MRXNPFEDSA-N -1 3 334.427 3.528 20 0 EHADHM Cc1ccc([C@H]2CCCN2c2nccc(C)c2-c2nn[n-]n2)cc1C ZINC000826286162 947824970 /nfs/dbraw/zinc/82/49/70/947824970.db2.gz UDDBTUDYCBBFOO-MRXNPFEDSA-N -1 3 334.427 3.528 20 0 EHADHM CC(C)Cc1ccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001442659332 948519851 /nfs/dbraw/zinc/51/98/51/948519851.db2.gz OBFFACRLXIGUHA-UHFFFAOYSA-N -1 3 349.438 3.637 20 0 EHADHM CC(C)Cc1ccc(CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001442659332 948519854 /nfs/dbraw/zinc/51/98/54/948519854.db2.gz OBFFACRLXIGUHA-UHFFFAOYSA-N -1 3 349.438 3.637 20 0 EHADHM C[C@@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1ccc2ccccc2c1 ZINC001573754018 948724133 /nfs/dbraw/zinc/72/41/33/948724133.db2.gz AQGINXVOVJFMPC-CYBMUJFWSA-N -1 3 344.374 3.729 20 0 EHADHM C[C@@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc2ccccc2c1 ZINC001573754018 948724137 /nfs/dbraw/zinc/72/41/37/948724137.db2.gz AQGINXVOVJFMPC-CYBMUJFWSA-N -1 3 344.374 3.729 20 0 EHADHM C[C@@H](C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@H](C)C(C)(C)C ZINC001573755424 948768044 /nfs/dbraw/zinc/76/80/44/948768044.db2.gz DPAHIXPXAJUJCZ-ZJUUUORDSA-N -1 3 335.839 3.777 20 0 EHADHM C[C@@H](C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@H](C)C(C)(C)C ZINC001573755424 948768050 /nfs/dbraw/zinc/76/80/50/948768050.db2.gz DPAHIXPXAJUJCZ-ZJUUUORDSA-N -1 3 335.839 3.777 20 0 EHADHM O=C([O-])c1ccccc1CNCc1c[nH]nc1-c1ccc(Cl)cc1 ZINC001595255099 949589030 /nfs/dbraw/zinc/58/90/30/949589030.db2.gz GKAATVIQALWLJO-UHFFFAOYSA-N -1 3 341.798 3.718 20 0 EHADHM CC(C)C[C@H](C)CC(=O)N(c1ccc(-c2nnn[n-]2)cc1)C1CCC1 ZINC001574132998 949704491 /nfs/dbraw/zinc/70/44/91/949704491.db2.gz BVOIVORVWQKHOI-AWEZNQCLSA-N -1 3 341.459 3.825 20 0 EHADHM CC(C)C[C@H](C)CC(=O)N(c1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC001574132998 949704517 /nfs/dbraw/zinc/70/45/17/949704517.db2.gz BVOIVORVWQKHOI-AWEZNQCLSA-N -1 3 341.459 3.825 20 0 EHADHM CCCOc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C)c2)cc1OC ZINC001589681020 950048116 /nfs/dbraw/zinc/04/81/16/950048116.db2.gz CLPSGLQEUYNJHY-LJQANCHMSA-N -1 3 343.423 3.708 20 0 EHADHM C[C@H](CC(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC001574519785 950700439 /nfs/dbraw/zinc/70/04/39/950700439.db2.gz IKSTVTADESMNCW-LLVKDONJSA-N -1 3 331.395 3.551 20 0 EHADHM C[C@H](CC(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC001574519785 950700452 /nfs/dbraw/zinc/70/04/52/950700452.db2.gz IKSTVTADESMNCW-LLVKDONJSA-N -1 3 331.395 3.551 20 0 EHADHM CC(C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)C[C@H](C)C[C@@H]2C ZINC001574184865 950789580 /nfs/dbraw/zinc/78/95/80/950789580.db2.gz PJZYRLCFMXCFCE-MNOVXSKESA-N -1 3 347.488 3.989 20 0 EHADHM CC(C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)C[C@H](C)C[C@@H]2C ZINC001574184865 950789592 /nfs/dbraw/zinc/78/95/92/950789592.db2.gz PJZYRLCFMXCFCE-MNOVXSKESA-N -1 3 347.488 3.989 20 0 EHADHM CC(C)(/C=C/Cl)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001573893834 950911183 /nfs/dbraw/zinc/91/11/83/950911183.db2.gz YXOXYSSEAUMSTE-AATRIKPKSA-N -1 3 342.628 3.572 20 0 EHADHM CC(C)(/C=C/Cl)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001573893834 950911197 /nfs/dbraw/zinc/91/11/97/950911197.db2.gz YXOXYSSEAUMSTE-AATRIKPKSA-N -1 3 342.628 3.572 20 0 EHADHM C[C@H](CSc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC001575184702 952422788 /nfs/dbraw/zinc/42/27/88/952422788.db2.gz AKYGUDMFMNCXTQ-SNVBAGLBSA-N -1 3 331.832 3.811 20 0 EHADHM C[C@H](CSc1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC001575184702 952422790 /nfs/dbraw/zinc/42/27/90/952422790.db2.gz AKYGUDMFMNCXTQ-SNVBAGLBSA-N -1 3 331.832 3.811 20 0 EHADHM O=C([O-])[C@@H](Cc1ccccc1)NCc1csc(-c2ccsc2)n1 ZINC000426682123 953492282 /nfs/dbraw/zinc/49/22/82/953492282.db2.gz FSVGBVFYERUBDW-OAHLLOKOSA-N -1 3 344.461 3.657 20 0 EHADHM CN(CCOc1ccccc1C(=O)[O-])Cc1ccc(Cl)c(F)c1 ZINC001593754472 954437428 /nfs/dbraw/zinc/43/74/28/954437428.db2.gz GLDBGQZXOHSNGU-UHFFFAOYSA-N -1 3 337.778 3.688 20 0 EHADHM Cc1ccc(CN2CCC[C@H](CCC(=O)[O-])C2)cc1Br ZINC000097902154 958351453 /nfs/dbraw/zinc/35/14/53/958351453.db2.gz LRINDLRHFXMAEY-CYBMUJFWSA-N -1 3 340.261 3.834 20 0 EHADHM CC[C@H]1CCCN(Cc2ccc(C(=O)[O-])cc2Br)C1 ZINC000226720181 959895983 /nfs/dbraw/zinc/89/59/83/959895983.db2.gz QRHHJGQDQXDQPR-NSHDSACASA-N -1 3 326.234 3.769 20 0 EHADHM CC(C)[C@@H](NCc1coc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)[O-] ZINC001588950653 962571646 /nfs/dbraw/zinc/57/16/46/962571646.db2.gz RRBCZDLYSNWTOQ-CYBMUJFWSA-N -1 3 342.317 3.559 20 0 EHADHM O=C([O-])c1cccc(CN2CC[C@@H](Oc3ccc(Cl)cc3)C2)c1 ZINC000263440550 962620903 /nfs/dbraw/zinc/62/09/03/962620903.db2.gz WITSZTNRHPRALW-QGZVFWFLSA-N -1 3 331.799 3.692 20 0 EHADHM CCOc1cc(CN[C@H](C(=O)[O-])c2ccccc2)cc(Cl)c1OC ZINC000262697920 967826122 /nfs/dbraw/zinc/82/61/22/967826122.db2.gz IZIDELFAEGCTIX-INIZCTEOSA-N -1 3 349.814 3.663 20 0 EHADHM CCc1ccc(-c2noc([C@H](C)NC3CCC(C(=O)[O-])CC3)n2)cc1 ZINC000263388734 967886305 /nfs/dbraw/zinc/88/63/05/967886305.db2.gz DRGDTVKWSCYJJV-JQRITLKVSA-N -1 3 343.427 3.593 20 0 EHADHM C[C@@H]1CCN(Cc2cc(Cl)ccc2OCC2CC2)C[C@@H]1C(=O)[O-] ZINC000564972196 968422003 /nfs/dbraw/zinc/42/20/03/968422003.db2.gz SXFZFCGAJMHFCL-WBMJQRKESA-N -1 3 337.847 3.671 20 0 EHADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C2CCCC2)o1 ZINC000538004567 1032077213 /nfs/dbraw/zinc/07/72/13/1032077213.db2.gz OUSIBYDIELRBGM-KRWDZBQOSA-N -1 3 337.416 3.937 20 0 EHADHM O=C([O-])c1occc1CN1CCC(c2nc3ccccc3s2)CC1 ZINC000514791165 974292344 /nfs/dbraw/zinc/29/23/44/974292344.db2.gz HNRGEHYSHNHVCB-UHFFFAOYSA-N -1 3 342.420 3.967 20 0 EHADHM CCCCO[C@@H]1C[C@@H](N(C)Cc2ccc(C(=O)[O-])cc2F)C1(C)C ZINC000563281973 974526192 /nfs/dbraw/zinc/52/61/92/974526192.db2.gz GYUYUXFCCCVZRC-IAGOWNOFSA-N -1 3 337.435 3.940 20 0 EHADHM CC1(C)CN([C@H](C(=O)[O-])c2ccccc2F)CC[C@H]1C(F)(F)F ZINC000568521044 974673514 /nfs/dbraw/zinc/67/35/14/974673514.db2.gz DVOPILVQLOJYQW-OLZOCXBDSA-N -1 3 333.325 3.862 20 0 EHADHM CCc1ccc2nccc(N3CC[C@@](C(=O)[O-])(C(F)(F)F)C3)c2c1 ZINC000571765837 974735493 /nfs/dbraw/zinc/73/54/93/974735493.db2.gz KZZDKKBLHLNUFI-MRXNPFEDSA-N -1 3 338.329 3.641 20 0 EHADHM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1CCOc1cccc(C(=O)[O-])c1 ZINC000576592153 974818261 /nfs/dbraw/zinc/81/82/61/974818261.db2.gz WVUGHTCOKMHXNX-KGLIPLIRSA-N -1 3 343.398 3.911 20 0 EHADHM Cc1cc([C@@H](C)N2CC[C@@H](Oc3cccc(F)c3)C2)oc1C(=O)[O-] ZINC000634697419 975274579 /nfs/dbraw/zinc/27/45/79/975274579.db2.gz JCZMYMCLNQZLAK-IUODEOHRSA-N -1 3 333.359 3.640 20 0 EHADHM O=C([O-])c1ccc(CN2CCC(c3nc4ccccc4s3)CC2)o1 ZINC000652376008 975515890 /nfs/dbraw/zinc/51/58/90/975515890.db2.gz OVAPHNMHVNSEEE-UHFFFAOYSA-N -1 3 342.420 3.967 20 0 EHADHM Cc1sc(C(=O)[O-])cc1CN(Cc1ccc(C)nc1)CC1CC1 ZINC000652433189 975530124 /nfs/dbraw/zinc/53/01/24/975530124.db2.gz XBDXYZUSWLAURB-UHFFFAOYSA-N -1 3 330.453 3.870 20 0 EHADHM CC[C@H](NCc1cccc([O-])c1Br)c1nccs1 ZINC000314949578 1031216310 /nfs/dbraw/zinc/21/63/10/1031216310.db2.gz CBPKPZOWSBMSCO-JTQLQIEISA-N -1 3 327.247 3.852 20 0 EHADHM CC(C)n1cncc1CN1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001592145400 977000256 /nfs/dbraw/zinc/00/02/56/977000256.db2.gz BNZNVOLGWFDDJV-UHFFFAOYSA-N -1 3 341.455 3.617 20 0 EHADHM COc1cc(C)c([C@H](C)N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1OC ZINC000737866930 978452140 /nfs/dbraw/zinc/45/21/40/978452140.db2.gz GCHWBWGAAWGLLA-KPZWWZAWSA-N -1 3 347.386 3.628 20 0 EHADHM Cc1nc(C)c(CN[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)s1 ZINC000756353031 978699203 /nfs/dbraw/zinc/69/92/03/978699203.db2.gz YKYKOWVIIROVDG-CYBMUJFWSA-N -1 3 344.358 3.694 20 0 EHADHM CCC(CC)(CN[C@H](C)c1ncc(Br)cc1F)C(=O)[O-] ZINC001595077526 979353859 /nfs/dbraw/zinc/35/38/59/979353859.db2.gz HISWRXKGTFAJCN-SECBINFHSA-N -1 3 347.228 3.525 20 0 EHADHM CCC(CC)(CNCc1coc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC001595079713 979365127 /nfs/dbraw/zinc/36/51/27/979365127.db2.gz VKFUHSDKERWELM-UHFFFAOYSA-N -1 3 336.819 3.976 20 0 EHADHM O=C([O-])c1cccc(NC[C@@H](c2ccccc2Cl)N2CCCC2)n1 ZINC000900985923 980257226 /nfs/dbraw/zinc/25/72/26/980257226.db2.gz RUFGBBDVJRCRAO-INIZCTEOSA-N -1 3 345.830 3.682 20 0 EHADHM Cc1ccc(-c2ncc(CN3CCC(C(=O)[O-])CC3)s2)cc1C ZINC000901480049 980308971 /nfs/dbraw/zinc/30/89/71/980308971.db2.gz FWGCEFDTJCIGCR-UHFFFAOYSA-N -1 3 330.453 3.724 20 0 EHADHM CSC(C)(C)CCN1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000901586344 980393661 /nfs/dbraw/zinc/39/36/61/980393661.db2.gz GLYPIMXJDHDUDZ-UHFFFAOYSA-N -1 3 332.469 3.756 20 0 EHADHM CC[C@](NCc1cnn(C(C)C)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000901872001 980584605 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EHADHM c1cc(Oc2ccccc2)oc1C[N-]c1nnc([C@H]2CCCO2)o1 ZINC000182577566 1139981098 /nfs/dbraw/zinc/98/10/98/1139981098.db2.gz UCJMJQYAFFEEBO-CQSZACIVSA-N -1 3 327.340 3.919 20 0 EHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)CC(C)C)c2)n1 ZINC000185238560 1140141415 /nfs/dbraw/zinc/14/14/15/1140141415.db2.gz YUOAVQHCJRJWLR-ZDUSSCGKSA-N -1 3 327.428 3.620 20 0 EHADHM Cc1cc(S(=O)(=O)[N-]Cc2nc(C3CC3)cs2)sc1Cl ZINC000188112536 1140283698 /nfs/dbraw/zinc/28/36/98/1140283698.db2.gz CXCWYSHIRHKBJG-UHFFFAOYSA-N -1 3 348.902 3.522 20 0 EHADHM CCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](c3ccsc3)C2)c([O-])c1 ZINC000188350724 1140293328 /nfs/dbraw/zinc/29/33/28/1140293328.db2.gz PPFSMHMLVJSKNY-SJKOYZFVSA-N -1 3 331.437 3.618 20 0 EHADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](C)c2ccc(Br)cc2)n1 ZINC000192729598 1140547956 /nfs/dbraw/zinc/54/79/56/1140547956.db2.gz AKTSNCAXVOROKR-GHMZBOCLSA-N -1 3 336.233 3.665 20 0 EHADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](C)c2ccc(OCC3CC3)c(F)c2)n1 ZINC000192763003 1140549710 /nfs/dbraw/zinc/54/97/10/1140549710.db2.gz GJKWBVAMDZZNHE-QWHCGFSZSA-N -1 3 345.418 3.830 20 0 EHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(-n3cncn3)c(C)c2)CC)n1 ZINC000193617451 1140580638 /nfs/dbraw/zinc/58/06/38/1140580638.db2.gz BIZRDTYZLQUSGI-YBEGLDIGSA-N -1 3 349.438 3.562 20 0 EHADHM C[C@@H](SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)[C@H](C)O ZINC000266238263 1140659034 /nfs/dbraw/zinc/65/90/34/1140659034.db2.gz LHFJVRZAEKQDJL-DTWKUNHWSA-N -1 3 336.438 3.659 20 0 EHADHM CSc1nc(NC(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)n[n-]1 ZINC000266891157 1140734984 /nfs/dbraw/zinc/73/49/84/1140734984.db2.gz AQMOPQGNQQHYJA-ZCFIWIBFSA-N -1 3 331.228 3.576 20 0 EHADHM Cc1nc(-c2ccc(NC(=O)NCc3ncccc3[O-])cc2)cs1 ZINC000348539897 1141548365 /nfs/dbraw/zinc/54/83/65/1141548365.db2.gz RBPATXAKRFVPHP-UHFFFAOYSA-N -1 3 340.408 3.541 20 0 EHADHM CC(C)c1nc2ccc(NC(=O)NCc3ncccc3[O-])cc2s1 ZINC000348722119 1141570746 /nfs/dbraw/zinc/57/07/46/1141570746.db2.gz RHKCZWMWKRTUHJ-UHFFFAOYSA-N -1 3 342.424 3.842 20 0 EHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000066764935 215077754 /nfs/dbraw/zinc/07/77/54/215077754.db2.gz QUQSJBHNTARMOQ-QGZVFWFLSA-N -1 3 346.430 3.938 20 0 EHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(Cl)cc1 ZINC000023864228 212397622 /nfs/dbraw/zinc/39/76/22/212397622.db2.gz CEXRLGGWMJYWQY-MRVPVSSYSA-N -1 3 349.761 3.797 20 0 EHADHM CC(C)CCc1nnc([N-]C(=O)c2cccnc2OC(C)C)s1 ZINC000617093857 480092423 /nfs/dbraw/zinc/09/24/23/480092423.db2.gz BOSYTBVXASIPGR-UHFFFAOYSA-N -1 3 334.445 3.561 20 0 EHADHM CCc1ccc(NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000736689429 598850694 /nfs/dbraw/zinc/85/06/94/598850694.db2.gz HDFNVMOYLLEOJT-UHFFFAOYSA-N -1 3 342.790 3.727 20 0 EHADHM CCc1ccc(NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000736689429 598850696 /nfs/dbraw/zinc/85/06/96/598850696.db2.gz HDFNVMOYLLEOJT-UHFFFAOYSA-N -1 3 342.790 3.727 20 0 EHADHM c1csc(C2(CNc3ncccc3-c3nnn[n-]3)CCCCC2)c1 ZINC000738452594 598856413 /nfs/dbraw/zinc/85/64/13/598856413.db2.gz QQQJJVWUTYGWFE-UHFFFAOYSA-N -1 3 340.456 3.637 20 0 EHADHM c1csc(C2(CNc3ncccc3-c3nn[n-]n3)CCCCC2)c1 ZINC000738452594 598856415 /nfs/dbraw/zinc/85/64/15/598856415.db2.gz QQQJJVWUTYGWFE-UHFFFAOYSA-N -1 3 340.456 3.637 20 0 EHADHM c1ccc2c(c1)CCC[C@@H]2OCCCNc1ccc(-c2nn[n-]n2)cc1 ZINC000738442645 598870567 /nfs/dbraw/zinc/87/05/67/598870567.db2.gz QWOBJBIQKMWMCT-IBGZPJMESA-N -1 3 349.438 3.763 20 0 EHADHM CC[C@H](CC1CCCC1)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736350071 598903522 /nfs/dbraw/zinc/90/35/22/598903522.db2.gz LCYDMTZFVUGBFV-UKRRQHHQSA-N -1 3 341.459 3.650 20 0 EHADHM CC[C@H](CC1CCCC1)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736350071 598903524 /nfs/dbraw/zinc/90/35/24/598903524.db2.gz LCYDMTZFVUGBFV-UKRRQHHQSA-N -1 3 341.459 3.650 20 0 EHADHM CC(C)OCc1cccc(Nc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000735904542 598938316 /nfs/dbraw/zinc/93/83/16/598938316.db2.gz PWKMTTDEWPPLFX-UHFFFAOYSA-N -1 3 344.806 3.584 20 0 EHADHM CC(C)OCc1cccc(Nc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000735904542 598938317 /nfs/dbraw/zinc/93/83/17/598938317.db2.gz PWKMTTDEWPPLFX-UHFFFAOYSA-N -1 3 344.806 3.584 20 0 EHADHM CC(C)C[C@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000735755597 598939366 /nfs/dbraw/zinc/93/93/66/598939366.db2.gz HIAOFOOKSBXMSW-KRWDZBQOSA-N -1 3 336.395 3.602 20 0 EHADHM CC(C)C[C@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735755597 598939367 /nfs/dbraw/zinc/93/93/67/598939367.db2.gz HIAOFOOKSBXMSW-KRWDZBQOSA-N -1 3 336.395 3.602 20 0 EHADHM c1cc(CSCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)no1 ZINC000738422766 599010304 /nfs/dbraw/zinc/01/03/04/599010304.db2.gz MBFHYMRMCLYGPG-UHFFFAOYSA-N -1 3 349.419 3.955 20 0 EHADHM c1cc(CSCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)no1 ZINC000738422766 599010306 /nfs/dbraw/zinc/01/03/06/599010306.db2.gz MBFHYMRMCLYGPG-UHFFFAOYSA-N -1 3 349.419 3.955 20 0 EHADHM CC(C)CC[C@@H](NC(=O)c1sccc1-c1nnn[n-]1)C(C)(C)C ZINC000735796355 599016262 /nfs/dbraw/zinc/01/62/62/599016262.db2.gz AQFPUGVKVGRCCR-GFCCVEGCSA-N -1 3 335.477 3.509 20 0 EHADHM CC(C)CC[C@@H](NC(=O)c1sccc1-c1nn[n-]n1)C(C)(C)C ZINC000735796355 599016264 /nfs/dbraw/zinc/01/62/64/599016264.db2.gz AQFPUGVKVGRCCR-GFCCVEGCSA-N -1 3 335.477 3.509 20 0 EHADHM C[C@@]1(c2ccccc2)C[C@@H]1Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000820633522 599037694 /nfs/dbraw/zinc/03/76/94/599037694.db2.gz BZPJAOYSKCGZIP-PXNSSMCTSA-N -1 3 342.406 3.557 20 0 EHADHM C[C@@]1(c2ccccc2)C[C@@H]1Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000820633522 599037696 /nfs/dbraw/zinc/03/76/96/599037696.db2.gz BZPJAOYSKCGZIP-PXNSSMCTSA-N -1 3 342.406 3.557 20 0 EHADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@@H](CC1CC1)c1ccccc1 ZINC000822567792 599053673 /nfs/dbraw/zinc/05/36/73/599053673.db2.gz HPDLNSFQWVGOAI-HNNXBMFYSA-N -1 3 340.818 3.868 20 0 EHADHM Clc1cc(-c2nn[n-]n2)cnc1N[C@@H](CC1CC1)c1ccccc1 ZINC000822567792 599053676 /nfs/dbraw/zinc/05/36/76/599053676.db2.gz HPDLNSFQWVGOAI-HNNXBMFYSA-N -1 3 340.818 3.868 20 0 EHADHM C[C@@H]1CC[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)[C@H](C)C1 ZINC000736244564 599056337 /nfs/dbraw/zinc/05/63/37/599056337.db2.gz KFKMIIJBCIVODP-FXPVBKGRSA-N -1 3 340.353 3.517 20 0 EHADHM C[C@@H]1CC[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)[C@H](C)C1 ZINC000736244564 599056338 /nfs/dbraw/zinc/05/63/38/599056338.db2.gz KFKMIIJBCIVODP-FXPVBKGRSA-N -1 3 340.353 3.517 20 0 EHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCC2(CCCC2)C1 ZINC000822718281 599093250 /nfs/dbraw/zinc/09/32/50/599093250.db2.gz GMWWYVMGIPRMDU-UHFFFAOYSA-N -1 3 337.349 3.656 20 0 EHADHM CCN(C(=O)/C=C(\C)C(C)(C)C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821146892 599143893 /nfs/dbraw/zinc/14/38/93/599143893.db2.gz ALEMDQQFLZEKRH-FNDVETGQSA-N -1 3 341.459 3.769 20 0 EHADHM CCN(C(=O)/C=C(\C)C(C)(C)C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821146892 599143894 /nfs/dbraw/zinc/14/38/94/599143894.db2.gz ALEMDQQFLZEKRH-FNDVETGQSA-N -1 3 341.459 3.769 20 0 EHADHM CCOc1ccc(CN(C)c2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000821417786 599144211 /nfs/dbraw/zinc/14/42/11/599144211.db2.gz RSJSSCWTBZEREB-UHFFFAOYSA-N -1 3 343.818 3.555 20 0 EHADHM CCOc1ccc(CN(C)c2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000821417786 599144213 /nfs/dbraw/zinc/14/42/13/599144213.db2.gz RSJSSCWTBZEREB-UHFFFAOYSA-N -1 3 343.818 3.555 20 0 EHADHM O=C(/C=C/C1CC1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000822923243 599145450 /nfs/dbraw/zinc/14/54/50/599145450.db2.gz PCJLTZUSJZGGPN-KPKJPENVSA-N -1 3 347.378 3.564 20 0 EHADHM O=C(/C=C/C1CC1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000822923243 599145453 /nfs/dbraw/zinc/14/54/53/599145453.db2.gz PCJLTZUSJZGGPN-KPKJPENVSA-N -1 3 347.378 3.564 20 0 EHADHM Cc1nc(C)c(CSCc2ccc(F)cc2-c2nnn[n-]2)s1 ZINC000822432161 599223800 /nfs/dbraw/zinc/22/38/00/599223800.db2.gz ZNZLPNOFRBYUBO-UHFFFAOYSA-N -1 3 335.433 3.513 20 0 EHADHM Cc1nc(C)c(CSCc2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000822432161 599223802 /nfs/dbraw/zinc/22/38/02/599223802.db2.gz ZNZLPNOFRBYUBO-UHFFFAOYSA-N -1 3 335.433 3.513 20 0 EHADHM Cc1cc2oc(=O)cc(CN3CCC(C(=O)[O-])CC3)c2cc1C(C)C ZINC000740096294 596924866 /nfs/dbraw/zinc/92/48/66/596924866.db2.gz QMRAEIHAMUDKQO-UHFFFAOYSA-N -1 3 343.423 3.521 20 0 EHADHM Cc1c2cccc(C)c2oc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822116739 607267557 /nfs/dbraw/zinc/26/75/57/607267557.db2.gz XEOBREYVUARLHL-UHFFFAOYSA-N -1 3 347.378 3.790 20 0 EHADHM Cc1c2cccc(C)c2oc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822116739 607267558 /nfs/dbraw/zinc/26/75/58/607267558.db2.gz XEOBREYVUARLHL-UHFFFAOYSA-N -1 3 347.378 3.790 20 0 EHADHM CC[C@@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000736400925 599240752 /nfs/dbraw/zinc/24/07/52/599240752.db2.gz DYSWNFLGVFUBML-LLVKDONJSA-N -1 3 348.838 3.564 20 0 EHADHM CC[C@@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000736400925 599240753 /nfs/dbraw/zinc/24/07/53/599240753.db2.gz DYSWNFLGVFUBML-LLVKDONJSA-N -1 3 348.838 3.564 20 0 EHADHM Cc1ccc(CCCC(=O)Nc2cccc(-c3nnn[n-]3)c2C)s1 ZINC000822236395 607269239 /nfs/dbraw/zinc/26/92/39/607269239.db2.gz XQRPZSXYQKIRSR-UHFFFAOYSA-N -1 3 341.440 3.506 20 0 EHADHM Cc1ccc(CCCC(=O)Nc2cccc(-c3nn[n-]n3)c2C)s1 ZINC000822236395 607269240 /nfs/dbraw/zinc/26/92/40/607269240.db2.gz XQRPZSXYQKIRSR-UHFFFAOYSA-N -1 3 341.440 3.506 20 0 EHADHM Cc1c([C@H](C)NCc2ccc(C(=O)[O-])cc2)cnn1-c1ccccc1 ZINC000818772650 597245423 /nfs/dbraw/zinc/24/54/23/597245423.db2.gz CUKPMPXUNGRTCT-AWEZNQCLSA-N -1 3 335.407 3.730 20 0 EHADHM Cc1ccc(/C=C\CC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000822233075 607321363 /nfs/dbraw/zinc/32/13/63/607321363.db2.gz HPJJBCBNMQWXCD-HYXAFXHYSA-N -1 3 333.395 3.526 20 0 EHADHM Cc1ccc(/C=C\CC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000822233075 607321364 /nfs/dbraw/zinc/32/13/64/607321364.db2.gz HPJJBCBNMQWXCD-HYXAFXHYSA-N -1 3 333.395 3.526 20 0 EHADHM Cc1nc2ccccc2nc1S[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737490887 599290396 /nfs/dbraw/zinc/29/03/96/599290396.db2.gz YXCMQXBBTQECQL-GFCCVEGCSA-N -1 3 348.435 3.972 20 0 EHADHM Cc1nc2ccccc2nc1S[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737490887 599290399 /nfs/dbraw/zinc/29/03/99/599290399.db2.gz YXCMQXBBTQECQL-GFCCVEGCSA-N -1 3 348.435 3.972 20 0 EHADHM Cc1c([C@@H](C)NCc2cccc(C(=O)[O-])c2)cnn1-c1ccccc1 ZINC000820944658 598192584 /nfs/dbraw/zinc/19/25/84/598192584.db2.gz JAKBQEVIWRPHAL-CQSZACIVSA-N -1 3 335.407 3.730 20 0 EHADHM O=C([O-])[C@@H](NCc1cccc(OCc2ccccn2)c1)c1ccccc1 ZINC000821541474 598214828 /nfs/dbraw/zinc/21/48/28/598214828.db2.gz FWQGLIOCTMLOHQ-FQEVSTJZSA-N -1 3 348.402 3.576 20 0 EHADHM CC(C)Oc1ccccc1[C@H](C)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000735914425 598238843 /nfs/dbraw/zinc/23/88/43/598238843.db2.gz SJPJIBXMYKMRHG-LBPRGKRZSA-N -1 3 341.390 3.966 20 0 EHADHM Fc1cccc(N2CCC[C@H]2CCc2ccccc2)c1-c1nnn[n-]1 ZINC000737659311 598239918 /nfs/dbraw/zinc/23/99/18/598239918.db2.gz CLDFKIHORYBZPE-HNNXBMFYSA-N -1 3 337.402 3.607 20 0 EHADHM Fc1cccc(N2CCC[C@H]2CCc2ccccc2)c1-c1nn[n-]n1 ZINC000737659311 598239921 /nfs/dbraw/zinc/23/99/21/598239921.db2.gz CLDFKIHORYBZPE-HNNXBMFYSA-N -1 3 337.402 3.607 20 0 EHADHM Fc1cccc(Nc2cccc(N3CCCCC3)c2)c1-c1nnn[n-]1 ZINC000737665501 598241324 /nfs/dbraw/zinc/24/13/24/598241324.db2.gz QWWAHFNSCMLKDI-UHFFFAOYSA-N -1 3 338.390 3.740 20 0 EHADHM Fc1cccc(Nc2cccc(N3CCCCC3)c2)c1-c1nn[n-]n1 ZINC000737665501 598241326 /nfs/dbraw/zinc/24/13/26/598241326.db2.gz QWWAHFNSCMLKDI-UHFFFAOYSA-N -1 3 338.390 3.740 20 0 EHADHM Cc1csc([C@@H]2CCCCN2c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000737455453 598244310 /nfs/dbraw/zinc/24/43/10/598244310.db2.gz RRQSIGCOQLAELG-ZDUSSCGKSA-N -1 3 344.419 3.502 20 0 EHADHM Cc1csc([C@@H]2CCCCN2c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000737455453 598244311 /nfs/dbraw/zinc/24/43/11/598244311.db2.gz RRQSIGCOQLAELG-ZDUSSCGKSA-N -1 3 344.419 3.502 20 0 EHADHM FC(F)(F)c1ccccc1[C@@H]1C[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737635871 598246047 /nfs/dbraw/zinc/24/60/47/598246047.db2.gz OFCUHXWUZOXTMD-ZFWWWQNUSA-N -1 3 345.328 3.854 20 0 EHADHM FC(F)(F)c1cc(N2CCCCCCC2)ccc1-c1nnn[n-]1 ZINC000737632627 598274290 /nfs/dbraw/zinc/27/42/90/598274290.db2.gz LZGBPPKRWOYRAF-UHFFFAOYSA-N -1 3 325.338 3.656 20 0 EHADHM FC(F)(F)c1cc(N2CCCCCCC2)ccc1-c1nn[n-]n1 ZINC000737632627 598274291 /nfs/dbraw/zinc/27/42/91/598274291.db2.gz LZGBPPKRWOYRAF-UHFFFAOYSA-N -1 3 325.338 3.656 20 0 EHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCC2)C1CCCCCC1 ZINC000738206614 598296592 /nfs/dbraw/zinc/29/65/92/598296592.db2.gz FNWQABOUMMSMCQ-UHFFFAOYSA-N -1 3 345.472 3.716 20 0 EHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCC2)C1CCCCCC1 ZINC000738206614 598296594 /nfs/dbraw/zinc/29/65/94/598296594.db2.gz FNWQABOUMMSMCQ-UHFFFAOYSA-N -1 3 345.472 3.716 20 0 EHADHM Fc1ccc(-c2nnn[n-]2)cc1CSCc1cccc(F)c1F ZINC000737649178 598314233 /nfs/dbraw/zinc/31/42/33/598314233.db2.gz KVLJOFXRZCIGLR-UHFFFAOYSA-N -1 3 336.342 3.717 20 0 EHADHM Fc1ccc(-c2nn[n-]n2)cc1CSCc1cccc(F)c1F ZINC000737649178 598314235 /nfs/dbraw/zinc/31/42/35/598314235.db2.gz KVLJOFXRZCIGLR-UHFFFAOYSA-N -1 3 336.342 3.717 20 0 EHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC000737949045 598440166 /nfs/dbraw/zinc/44/01/66/598440166.db2.gz VYYGMNPETYTRNS-UHFFFAOYSA-N -1 3 336.829 3.557 20 0 EHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)s1 ZINC000737949045 598440164 /nfs/dbraw/zinc/44/01/64/598440164.db2.gz VYYGMNPETYTRNS-UHFFFAOYSA-N -1 3 336.829 3.557 20 0 EHADHM C[C@@H](OC(=O)c1ccc(Cl)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000736159601 598489154 /nfs/dbraw/zinc/48/91/54/598489154.db2.gz XHRKBSQZZCLEKW-SECBINFHSA-N -1 3 346.749 3.577 20 0 EHADHM C[C@@H](OC(=O)c1ccc(Cl)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000736159601 598489155 /nfs/dbraw/zinc/48/91/55/598489155.db2.gz XHRKBSQZZCLEKW-SECBINFHSA-N -1 3 346.749 3.577 20 0 EHADHM C[C@@H](OC(=O)c1cc2ccccc2o1)c1cccc(-c2nnn[n-]2)c1 ZINC000736159416 598491831 /nfs/dbraw/zinc/49/18/31/598491831.db2.gz MXOBJWDMDNVUMP-LLVKDONJSA-N -1 3 334.335 3.531 20 0 EHADHM C[C@@H](OC(=O)c1cc2ccccc2o1)c1cccc(-c2nn[n-]n2)c1 ZINC000736159416 598491832 /nfs/dbraw/zinc/49/18/32/598491832.db2.gz MXOBJWDMDNVUMP-LLVKDONJSA-N -1 3 334.335 3.531 20 0 EHADHM C[C@@H](c1ccc(Cl)cc1)[S@](=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736199052 598492165 /nfs/dbraw/zinc/49/21/65/598492165.db2.gz MWMXPCZUXADFPF-BSNNYGBQSA-N -1 3 346.843 3.530 20 0 EHADHM C[C@@H](c1ccc(Cl)cc1)[S@](=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736199052 598492166 /nfs/dbraw/zinc/49/21/66/598492166.db2.gz MWMXPCZUXADFPF-BSNNYGBQSA-N -1 3 346.843 3.530 20 0 EHADHM CC(C)C[C@@H](C)CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000735762266 598495973 /nfs/dbraw/zinc/49/59/73/598495973.db2.gz WHFWMWYSYRRKLK-CYBMUJFWSA-N -1 3 345.447 3.665 20 0 EHADHM CC(C)C[C@@H](C)CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000735762266 598495975 /nfs/dbraw/zinc/49/59/75/598495975.db2.gz WHFWMWYSYRRKLK-CYBMUJFWSA-N -1 3 345.447 3.665 20 0 EHADHM Clc1cc(NCCc2c[nH]c3ccccc23)ccc1-c1nnn[n-]1 ZINC000737566992 598507188 /nfs/dbraw/zinc/50/71/88/598507188.db2.gz WKQRFNDPYOTCMB-UHFFFAOYSA-N -1 3 338.802 3.656 20 0 EHADHM Clc1cc(NCCc2c[nH]c3ccccc23)ccc1-c1nn[n-]n1 ZINC000737566992 598507190 /nfs/dbraw/zinc/50/71/90/598507190.db2.gz WKQRFNDPYOTCMB-UHFFFAOYSA-N -1 3 338.802 3.656 20 0 EHADHM CC(C)(C)OC(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735639172 598516027 /nfs/dbraw/zinc/51/60/27/598516027.db2.gz CVMCHIBMBOCESO-UHFFFAOYSA-N -1 3 338.367 3.848 20 0 EHADHM CC(C)(C)OC(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735639172 598516030 /nfs/dbraw/zinc/51/60/30/598516030.db2.gz CVMCHIBMBOCESO-UHFFFAOYSA-N -1 3 338.367 3.848 20 0 EHADHM CC1(C)CCc2cc(C=Cc3ccc(-c4nnn[n-]4)cn3)ccc2O1 ZINC000736212137 598584267 /nfs/dbraw/zinc/58/42/67/598584267.db2.gz ZLTLDIOKPXCLJZ-ZZXKWVIFSA-N -1 3 333.395 3.536 20 0 EHADHM CC1(C)CCc2cc(C=Cc3ccc(-c4nn[n-]n4)cn3)ccc2O1 ZINC000736212137 598584268 /nfs/dbraw/zinc/58/42/68/598584268.db2.gz ZLTLDIOKPXCLJZ-ZZXKWVIFSA-N -1 3 333.395 3.536 20 0 EHADHM Fc1ccc(-c2nnn[n-]2)cc1CSc1ccnc2ccccc21 ZINC000737652663 598585113 /nfs/dbraw/zinc/58/51/13/598585113.db2.gz XIRXCUJAUCLDDS-UHFFFAOYSA-N -1 3 337.383 3.846 20 0 EHADHM Fc1ccc(-c2nn[n-]n2)cc1CSc1ccnc2ccccc21 ZINC000737652663 598585115 /nfs/dbraw/zinc/58/51/15/598585115.db2.gz XIRXCUJAUCLDDS-UHFFFAOYSA-N -1 3 337.383 3.846 20 0 EHADHM Clc1cc(N2CCC[C@H]2c2cccs2)ccc1-c1nnn[n-]1 ZINC000737563804 598636511 /nfs/dbraw/zinc/63/65/11/598636511.db2.gz GMCLKEDXFPIKBI-ZDUSSCGKSA-N -1 3 331.832 3.923 20 0 EHADHM Clc1cc(N2CCC[C@H]2c2cccs2)ccc1-c1nn[n-]n1 ZINC000737563804 598636513 /nfs/dbraw/zinc/63/65/13/598636513.db2.gz GMCLKEDXFPIKBI-ZDUSSCGKSA-N -1 3 331.832 3.923 20 0 EHADHM CC(C)[C@H](CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735707495 598656404 /nfs/dbraw/zinc/65/64/04/598656404.db2.gz HSIWYRQCJLWZLK-SFHVURJKSA-N -1 3 349.438 3.659 20 0 EHADHM CC(C)[C@H](CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735707495 598656405 /nfs/dbraw/zinc/65/64/05/598656405.db2.gz HSIWYRQCJLWZLK-SFHVURJKSA-N -1 3 349.438 3.659 20 0 EHADHM C[C@H](SCc1cccc(Cl)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820548573 599299827 /nfs/dbraw/zinc/29/98/27/599299827.db2.gz CHMXRJJWNQQWSX-JTQLQIEISA-N -1 3 331.832 3.910 20 0 EHADHM C[C@H](SCc1cccc(Cl)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820548573 599299830 /nfs/dbraw/zinc/29/98/30/599299830.db2.gz CHMXRJJWNQQWSX-JTQLQIEISA-N -1 3 331.832 3.910 20 0 EHADHM Cc1cc(N2CCCC2)ccc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737270551 599324200 /nfs/dbraw/zinc/32/42/00/599324200.db2.gz CVQTUXMSLKGTEM-HNNXBMFYSA-N -1 3 348.454 3.948 20 0 EHADHM Fc1cc(-c2nnn[n-]2)ccc1CSC1=Nc2ccccc2C1 ZINC000737641140 599340880 /nfs/dbraw/zinc/34/08/80/599340880.db2.gz SLKWQCWIAUDZRN-UHFFFAOYSA-N -1 3 325.372 3.525 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1CSC1=Nc2ccccc2C1 ZINC000737641140 599340882 /nfs/dbraw/zinc/34/08/82/599340882.db2.gz SLKWQCWIAUDZRN-UHFFFAOYSA-N -1 3 325.372 3.525 20 0 EHADHM C[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1cc(Cl)ccc1Cl ZINC000820431335 599419763 /nfs/dbraw/zinc/41/97/63/599419763.db2.gz DQCSQLISDLQQJI-QMMMGPOBSA-N -1 3 338.198 3.617 20 0 EHADHM C[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1cc(Cl)ccc1Cl ZINC000820431335 599419765 /nfs/dbraw/zinc/41/97/65/599419765.db2.gz DQCSQLISDLQQJI-QMMMGPOBSA-N -1 3 338.198 3.617 20 0 EHADHM Cc1cccc2c1CC[C@@H]2Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737411228 599429499 /nfs/dbraw/zinc/42/94/99/599429499.db2.gz XAEQHEOLFXDUND-HNNXBMFYSA-N -1 3 325.803 3.928 20 0 EHADHM Cc1cccc2c1CC[C@@H]2Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737411228 599429502 /nfs/dbraw/zinc/42/95/02/599429502.db2.gz XAEQHEOLFXDUND-HNNXBMFYSA-N -1 3 325.803 3.928 20 0 EHADHM CCCCc1noc([C@H](C)SCc2cccc(-c3nnn[n-]3)c2)n1 ZINC000736466808 599451732 /nfs/dbraw/zinc/45/17/32/599451732.db2.gz OFLGNFBWLRNKJY-NSHDSACASA-N -1 3 344.444 3.587 20 0 EHADHM CCCCc1noc([C@H](C)SCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000736466808 599451734 /nfs/dbraw/zinc/45/17/34/599451734.db2.gz OFLGNFBWLRNKJY-NSHDSACASA-N -1 3 344.444 3.587 20 0 EHADHM Clc1cccc(-c2nnn[n-]2)c1N1CC[C@@H](c2ccccc2)C1 ZINC000822582505 599503448 /nfs/dbraw/zinc/50/34/48/599503448.db2.gz VLWMLZVLVZVXPQ-CYBMUJFWSA-N -1 3 325.803 3.514 20 0 EHADHM Clc1cccc(-c2nn[n-]n2)c1N1CC[C@@H](c2ccccc2)C1 ZINC000822582505 599503451 /nfs/dbraw/zinc/50/34/51/599503451.db2.gz VLWMLZVLVZVXPQ-CYBMUJFWSA-N -1 3 325.803 3.514 20 0 EHADHM Fc1cccc(Cl)c1CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000822786572 599504632 /nfs/dbraw/zinc/50/46/32/599504632.db2.gz MVEWKVZBJDTVEC-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM Fc1cccc(Cl)c1CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000822786572 599504634 /nfs/dbraw/zinc/50/46/34/599504634.db2.gz MVEWKVZBJDTVEC-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM CCCCCC[C@H](C)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821048393 599509820 /nfs/dbraw/zinc/50/98/20/599509820.db2.gz CAPGPNLWBFDQST-UONOGXRCSA-N -1 3 329.448 3.650 20 0 EHADHM CCCCCC[C@H](C)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821048393 599509823 /nfs/dbraw/zinc/50/98/23/599509823.db2.gz CAPGPNLWBFDQST-UONOGXRCSA-N -1 3 329.448 3.650 20 0 EHADHM CC(C)Cc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820107778 599543526 /nfs/dbraw/zinc/54/35/26/599543526.db2.gz BSAKMVHMKUFUGF-AWEZNQCLSA-N -1 3 349.438 3.556 20 0 EHADHM CC(C)Cc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820107778 599543529 /nfs/dbraw/zinc/54/35/29/599543529.db2.gz BSAKMVHMKUFUGF-AWEZNQCLSA-N -1 3 349.438 3.556 20 0 EHADHM CCC[C@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821014530 599633688 /nfs/dbraw/zinc/63/36/88/599633688.db2.gz IJUDKEPKLCOCNF-VIFPVBQESA-N -1 3 341.337 3.650 20 0 EHADHM CCC[C@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821014530 599633689 /nfs/dbraw/zinc/63/36/89/599633689.db2.gz IJUDKEPKLCOCNF-VIFPVBQESA-N -1 3 341.337 3.650 20 0 EHADHM CC[C@@H](C)[C@H](C)N(CC(=O)Nc1cc(C(=O)[O-])ccc1C)C1CC1 ZINC000736871021 600004706 /nfs/dbraw/zinc/00/47/06/600004706.db2.gz NKGCUWBFPIYZQZ-OCCSQVGLSA-N -1 3 332.444 3.531 20 0 EHADHM COc1cc(CN(C)Cc2ccc(F)cc2C(=O)[O-])ccc1SC ZINC000566358020 600089864 /nfs/dbraw/zinc/08/98/64/600089864.db2.gz CDUZESAOXTXGPG-UHFFFAOYSA-N -1 3 349.427 3.886 20 0 EHADHM O=C([O-])[C@@H]1CC12CCN(Cc1cc3ccccc3nc1Cl)CC2 ZINC000739533547 600308890 /nfs/dbraw/zinc/30/88/90/600308890.db2.gz ZTMRXENOPTWZFK-AWEZNQCLSA-N -1 3 330.815 3.575 20 0 EHADHM O=C([O-])CCN(C/C=C/c1ccccc1)Cc1ccc(F)c(F)c1 ZINC000739724086 600376122 /nfs/dbraw/zinc/37/61/22/600376122.db2.gz GIDUWCFTBPFLBJ-QPJJXVBHSA-N -1 3 331.362 3.955 20 0 EHADHM CN(Cc1ccc(F)c(F)c1)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737472101 600399343 /nfs/dbraw/zinc/39/93/43/600399343.db2.gz MJSGPPHXMQKMKX-OAHLLOKOSA-N -1 3 325.742 3.876 20 0 EHADHM CC(C)COc1cccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000426812187 600428500 /nfs/dbraw/zinc/42/85/00/600428500.db2.gz PYTRQENBGQJBGH-SFHVURJKSA-N -1 3 331.387 3.776 20 0 EHADHM CC(C)(C)Oc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000736286204 600428619 /nfs/dbraw/zinc/42/86/19/600428619.db2.gz QTBJRDZFRGFWQU-KRWDZBQOSA-N -1 3 331.387 3.919 20 0 EHADHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2)c(C(F)(F)F)c1 ZINC000738008125 600433088 /nfs/dbraw/zinc/43/30/88/600433088.db2.gz DYWYMRJEIFRETI-OAHLLOKOSA-N -1 3 339.313 3.630 20 0 EHADHM Cc1cc(CNC2(c3cccc(F)c3)CC2)cc(C)c1OCC(=O)[O-] ZINC000738386928 600600425 /nfs/dbraw/zinc/60/04/25/600600425.db2.gz BGLIHFYDTXROFH-UHFFFAOYSA-N -1 3 343.398 3.685 20 0 EHADHM Cc1cc(F)ccc1-c1ccc(CN[C@@H]2CCCN(C(=O)[O-])C2)o1 ZINC000738396899 600639941 /nfs/dbraw/zinc/63/99/41/600639941.db2.gz OXNHTSQDQUTKLV-CQSZACIVSA-N -1 3 332.375 3.626 20 0 EHADHM Cc1ccc(CCN(Cc2ccc(C(=O)[O-])o2)C[C@H]2CCCO2)cc1 ZINC000566362778 600847899 /nfs/dbraw/zinc/84/78/99/600847899.db2.gz CWHCRJFGJWWODZ-QGZVFWFLSA-N -1 3 343.423 3.510 20 0 EHADHM CC(C)c1csc([C@@H]2CCCN(Cc3ccc(C(=O)[O-])o3)C2)n1 ZINC000572653591 600973127 /nfs/dbraw/zinc/97/31/27/600973127.db2.gz OBHHNMJYLDABTG-GFCCVEGCSA-N -1 3 334.441 3.937 20 0 EHADHM O=C([O-])[C@@H](c1ccccc1F)N1CCC(OC2CCCCC2)CC1 ZINC000833173522 600994023 /nfs/dbraw/zinc/99/40/23/600994023.db2.gz SJJQUOINQSVECC-GOSISDBHSA-N -1 3 335.419 3.765 20 0 EHADHM COc1ccc(Cl)cc1CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832367429 601206525 /nfs/dbraw/zinc/20/65/25/601206525.db2.gz DELRXVJNRTXXLJ-SJKOYZFVSA-N -1 3 333.815 3.900 20 0 EHADHM CCc1oc(C(=O)[O-])cc1CN1CCC(N(C)c2ccccc2)CC1 ZINC000830368760 601414883 /nfs/dbraw/zinc/41/48/83/601414883.db2.gz BUZILAGQLGUJSJ-UHFFFAOYSA-N -1 3 342.439 3.641 20 0 EHADHM O=C([O-])CCC1CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000578447344 601842125 /nfs/dbraw/zinc/84/21/25/601842125.db2.gz BKJVJLODCQISOC-UHFFFAOYSA-N -1 3 332.831 3.965 20 0 EHADHM C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCSC[C@H]1CC(=O)[O-] ZINC000320715301 601919463 /nfs/dbraw/zinc/91/94/63/601919463.db2.gz BSDCETNHXLDLBM-CMPLNLGQSA-N -1 3 349.374 3.538 20 0 EHADHM CC(C)CN(Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)CC(C)(C)C ZINC000826881369 602342098 /nfs/dbraw/zinc/34/20/98/602342098.db2.gz QMCISOLDHILQPU-UHFFFAOYSA-N -1 3 345.443 3.538 20 0 EHADHM Cc1ccc(-c2nc(CN[C@@H]3CCC[C@H]3CNC(=O)[O-])cs2)cc1 ZINC000830154860 603168371 /nfs/dbraw/zinc/16/83/71/603168371.db2.gz JVMYSZIMPRAYRD-GOEBONIOSA-N -1 3 345.468 3.644 20 0 EHADHM Cc1[nH]c2c(cc(C)cc2CNCc2ccc(NC(=O)[O-])nc2)c1C ZINC000830042170 603549703 /nfs/dbraw/zinc/54/97/03/603549703.db2.gz YRUCERLXHASLLB-UHFFFAOYSA-N -1 3 338.411 3.868 20 0 EHADHM C[C@H](Oc1ccc(CN(C)[C@@H](C)c2ccc(F)cc2)cc1)C(=O)[O-] ZINC000833538784 604523147 /nfs/dbraw/zinc/52/31/47/604523147.db2.gz VOWMITVKQIMQGA-KBPBESRZSA-N -1 3 331.387 3.871 20 0 EHADHM CC(C)(C)n1cc(CN[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])cn1 ZINC000826105740 604628531 /nfs/dbraw/zinc/62/85/31/604628531.db2.gz HWLNAICTUGGDFF-INIZCTEOSA-N -1 3 329.444 3.580 20 0 EHADHM O=C([O-])[C@H]1CC12CCN(Cc1ccc(-c3c(F)cccc3F)o1)CC2 ZINC000833771714 604651362 /nfs/dbraw/zinc/65/13/62/604651362.db2.gz NSJZMNNMCWOGSZ-CYBMUJFWSA-N -1 3 347.361 3.912 20 0 EHADHM O=C([O-])N1CCC[C@@H](CN2CCCC[C@@H]2c2nc3ccccc3o2)C1 ZINC000831981394 604838131 /nfs/dbraw/zinc/83/81/31/604838131.db2.gz WSBMZTZBPAXZHU-GOEBONIOSA-N -1 3 343.427 3.745 20 0 EHADHM Cc1nn(C)cc1[C@@H](C)NC[C@@H](NC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000830866459 604972999 /nfs/dbraw/zinc/97/29/99/604972999.db2.gz XFSRXXWCZMGFJL-FZKQIMNGSA-N -1 3 344.459 3.511 20 0 EHADHM CC(C)COc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2cccnc2)cc1 ZINC000826900361 605006601 /nfs/dbraw/zinc/00/66/01/605006601.db2.gz BMJCOWOSLGYJRV-KBXCAEBGSA-N -1 3 328.412 3.593 20 0 EHADHM CC(C)(C)[C@@H](COc1ccccc1F)NCc1occc1C(=O)[O-] ZINC000833424026 605078713 /nfs/dbraw/zinc/07/87/13/605078713.db2.gz QOQJASTZEYWHFF-MRXNPFEDSA-N -1 3 335.375 3.700 20 0 EHADHM C[C@H](COc1ccccc1C(F)(F)F)NCc1ccoc1C(=O)[O-] ZINC000833521037 605082843 /nfs/dbraw/zinc/08/28/43/605082843.db2.gz YGGFWKLMMCCJHT-SNVBAGLBSA-N -1 3 343.301 3.554 20 0 EHADHM CC(C)(C)OCc1cccc(CNCc2ccc(C(=O)[O-])cc2)c1 ZINC000263443531 605087947 /nfs/dbraw/zinc/08/79/47/605087947.db2.gz XFPZWFUCFJYLND-UHFFFAOYSA-N -1 3 327.424 3.990 20 0 EHADHM C/C(=C\CN[C@@H](COCc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000833384687 605141404 /nfs/dbraw/zinc/14/14/04/605141404.db2.gz RCZGHVINRHCAKF-BAILOTOSSA-N -1 3 325.408 3.565 20 0 EHADHM Fc1ccc([C@H](Nc2ccc(-c3nnn[n-]3)nc2)c2ccccc2)cc1 ZINC000822766294 606049011 /nfs/dbraw/zinc/04/90/11/606049011.db2.gz HSPXXOHBVODIHL-GOSISDBHSA-N -1 3 346.369 3.602 20 0 EHADHM Fc1ccc([C@H](Nc2ccc(-c3nn[n-]n3)nc2)c2ccccc2)cc1 ZINC000822766294 606049014 /nfs/dbraw/zinc/04/90/14/606049014.db2.gz HSPXXOHBVODIHL-GOSISDBHSA-N -1 3 346.369 3.602 20 0 EHADHM C[C@@H](OC(=O)CC/C=C\c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820496710 606356054 /nfs/dbraw/zinc/35/60/54/606356054.db2.gz OONGIWVGQDHZED-HMZQOCAUSA-N -1 3 348.406 3.965 20 0 EHADHM C[C@@H](OC(=O)CC/C=C\c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820496710 606356055 /nfs/dbraw/zinc/35/60/55/606356055.db2.gz OONGIWVGQDHZED-HMZQOCAUSA-N -1 3 348.406 3.965 20 0 EHADHM C[C@H](OC(=O)c1cc2occc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820507726 606356211 /nfs/dbraw/zinc/35/62/11/606356211.db2.gz JQNGNYNMJOERRI-VIFPVBQESA-N -1 3 340.364 3.592 20 0 EHADHM C[C@H](OC(=O)c1cc2occc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820507726 606356214 /nfs/dbraw/zinc/35/62/14/606356214.db2.gz JQNGNYNMJOERRI-VIFPVBQESA-N -1 3 340.364 3.592 20 0 EHADHM C[C@@H](OC(=O)c1cc2occc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820507723 606356323 /nfs/dbraw/zinc/35/63/23/606356323.db2.gz JQNGNYNMJOERRI-SECBINFHSA-N -1 3 340.364 3.592 20 0 EHADHM C[C@@H](OC(=O)c1cc2occc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820507723 606356325 /nfs/dbraw/zinc/35/63/25/606356325.db2.gz JQNGNYNMJOERRI-SECBINFHSA-N -1 3 340.364 3.592 20 0 EHADHM Clc1ccc(CNCc2ccc(-c3nnn[n-]3)s2)c(Cl)c1 ZINC000822574231 606405191 /nfs/dbraw/zinc/40/51/91/606405191.db2.gz RJQUOROBVJAKQF-UHFFFAOYSA-N -1 3 340.239 3.525 20 0 EHADHM CN(C(=O)CCC1CCCCC1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569431 606411882 /nfs/dbraw/zinc/41/18/82/606411882.db2.gz KBWWLVNZGIJGHM-UHFFFAOYSA-N -1 3 347.850 3.843 20 0 EHADHM CN(C(=O)CCC1CCCCC1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569431 606411884 /nfs/dbraw/zinc/41/18/84/606411884.db2.gz KBWWLVNZGIJGHM-UHFFFAOYSA-N -1 3 347.850 3.843 20 0 EHADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N[C@@H](c1ccccc1)C1CC1 ZINC000822736576 606445073 /nfs/dbraw/zinc/44/50/73/606445073.db2.gz HFOCYDKUSJXZJE-HNNXBMFYSA-N -1 3 327.338 3.708 20 0 EHADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N[C@@H](c1ccccc1)C1CC1 ZINC000822736576 606445074 /nfs/dbraw/zinc/44/50/74/606445074.db2.gz HFOCYDKUSJXZJE-HNNXBMFYSA-N -1 3 327.338 3.708 20 0 EHADHM Fc1ccc([C@H]2CCCN2c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000822766676 606447191 /nfs/dbraw/zinc/44/71/91/606447191.db2.gz NACKOROAQBKJAL-OAHLLOKOSA-N -1 3 345.328 3.626 20 0 EHADHM Fc1ccc([C@H]2CCCN2c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000822766676 606447193 /nfs/dbraw/zinc/44/71/93/606447193.db2.gz NACKOROAQBKJAL-OAHLLOKOSA-N -1 3 345.328 3.626 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000822743860 606447215 /nfs/dbraw/zinc/44/72/15/606447215.db2.gz HAAOWBGOTAICML-VHSXEESVSA-N -1 3 329.301 3.539 20 0 EHADHM Clc1ccc(N2CCC[C@@H]2c2ccsc2)c(-c2nnn[n-]2)c1 ZINC000822579193 606455766 /nfs/dbraw/zinc/45/57/66/606455766.db2.gz XECAXQZVQQBYAU-CYBMUJFWSA-N -1 3 331.832 3.923 20 0 EHADHM Clc1ccc(N2CCC[C@@H]2c2ccsc2)c(-c2nn[n-]n2)c1 ZINC000822579193 606455768 /nfs/dbraw/zinc/45/57/68/606455768.db2.gz XECAXQZVQQBYAU-CYBMUJFWSA-N -1 3 331.832 3.923 20 0 EHADHM Cc1ccc([C@H]2[C@H](C)CCCN2c2ncccc2-c2nnn[n-]2)cc1 ZINC000822232197 606475555 /nfs/dbraw/zinc/47/55/55/606475555.db2.gz WNOHYNCXJNPMDY-RHSMWYFYSA-N -1 3 334.427 3.548 20 0 EHADHM Cc1ccc([C@H]2[C@H](C)CCCN2c2ncccc2-c2nn[n-]n2)cc1 ZINC000822232197 606475557 /nfs/dbraw/zinc/47/55/57/606475557.db2.gz WNOHYNCXJNPMDY-RHSMWYFYSA-N -1 3 334.427 3.548 20 0 EHADHM CC[C@@H](C)c1ccc(C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820881639 606667777 /nfs/dbraw/zinc/66/77/77/606667777.db2.gz CENBXUBBVVJRJM-CQSZACIVSA-N -1 3 349.438 3.652 20 0 EHADHM CC[C@@H](C)c1ccc(C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820881639 606667778 /nfs/dbraw/zinc/66/77/78/606667778.db2.gz CENBXUBBVVJRJM-CQSZACIVSA-N -1 3 349.438 3.652 20 0 EHADHM CC[C@@H](C)c1ccc(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820882098 606673457 /nfs/dbraw/zinc/67/34/57/606673457.db2.gz JMHUKLILPFZDFJ-CYBMUJFWSA-N -1 3 335.411 3.657 20 0 EHADHM CC[C@@H](C)c1ccc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820882098 606673458 /nfs/dbraw/zinc/67/34/58/606673458.db2.gz JMHUKLILPFZDFJ-CYBMUJFWSA-N -1 3 335.411 3.657 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C1(CC(C)C)CCCC1 ZINC000822216458 606675540 /nfs/dbraw/zinc/67/55/40/606675540.db2.gz PMLRQXWUYXMWBO-UHFFFAOYSA-N -1 3 327.432 3.720 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C1(CC(C)C)CCCC1 ZINC000822216458 606675541 /nfs/dbraw/zinc/67/55/41/606675541.db2.gz PMLRQXWUYXMWBO-UHFFFAOYSA-N -1 3 327.432 3.720 20 0 EHADHM CC(C)(C)c1csc(CSc2ccccc2-c2nnn[n-]2)n1 ZINC000819965320 606704360 /nfs/dbraw/zinc/70/43/60/606704360.db2.gz BEHCMPNYJBAZCL-UHFFFAOYSA-N -1 3 331.470 3.913 20 0 EHADHM CC(C)(C)c1csc(CSc2ccccc2-c2nn[n-]n2)n1 ZINC000819965320 606704361 /nfs/dbraw/zinc/70/43/61/606704361.db2.gz BEHCMPNYJBAZCL-UHFFFAOYSA-N -1 3 331.470 3.913 20 0 EHADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1=CCCC1 ZINC000823368042 606731794 /nfs/dbraw/zinc/73/17/94/606731794.db2.gz SIZRALOXRGFKOL-UHFFFAOYSA-N -1 3 347.378 3.708 20 0 EHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1=CCCC1 ZINC000823368042 606731796 /nfs/dbraw/zinc/73/17/96/606731796.db2.gz SIZRALOXRGFKOL-UHFFFAOYSA-N -1 3 347.378 3.708 20 0 EHADHM Cc1nc(SCCCOc2cccc(-c3nnn[n-]3)c2)sc1C ZINC000822453868 606869354 /nfs/dbraw/zinc/86/93/54/606869354.db2.gz PFQVWVFBSXLDGD-UHFFFAOYSA-N -1 3 347.469 3.501 20 0 EHADHM Cc1nc(SCCCOc2cccc(-c3nn[n-]n3)c2)sc1C ZINC000822453868 606869355 /nfs/dbraw/zinc/86/93/55/606869355.db2.gz PFQVWVFBSXLDGD-UHFFFAOYSA-N -1 3 347.469 3.501 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC(C)(C)CC(C)(C)C ZINC000822218094 606906433 /nfs/dbraw/zinc/90/64/33/606906433.db2.gz WZZCQPSPHKXACN-UHFFFAOYSA-N -1 3 330.436 3.511 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC(C)(C)CC(C)(C)C ZINC000822218094 606906434 /nfs/dbraw/zinc/90/64/34/606906434.db2.gz WZZCQPSPHKXACN-UHFFFAOYSA-N -1 3 330.436 3.511 20 0 EHADHM FC(F)(F)c1ccc(NCc2ccsc2)c(-c2nnn[n-]2)c1 ZINC000822729164 606921644 /nfs/dbraw/zinc/92/16/44/606921644.db2.gz UWHHZJCHBHXUEQ-UHFFFAOYSA-N -1 3 325.319 3.559 20 0 EHADHM FC(F)(F)c1ccc(NCc2ccsc2)c(-c2nn[n-]n2)c1 ZINC000822729164 606921646 /nfs/dbraw/zinc/92/16/46/606921646.db2.gz UWHHZJCHBHXUEQ-UHFFFAOYSA-N -1 3 325.319 3.559 20 0 EHADHM CC(C)(C)c1nc(CNc2ccc(-c3nn[n-]n3)cc2Cl)cs1 ZINC000819965399 607124836 /nfs/dbraw/zinc/12/48/36/607124836.db2.gz FJUPPFJHEOGHJT-UHFFFAOYSA-N -1 3 348.863 3.886 20 0 EHADHM C[C@H](CC1CCCC1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820231604 607241191 /nfs/dbraw/zinc/24/11/91/607241191.db2.gz BYALQUUKADMUIO-SNVBAGLBSA-N -1 3 333.823 3.675 20 0 EHADHM C[C@H](CC1CCCC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820231604 607241192 /nfs/dbraw/zinc/24/11/92/607241192.db2.gz BYALQUUKADMUIO-SNVBAGLBSA-N -1 3 333.823 3.675 20 0 EHADHM Cc1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)c(Br)c1 ZINC000826285779 607808030 /nfs/dbraw/zinc/80/80/30/607808030.db2.gz JORXGFIZTYHXAR-XQRVVYSFSA-N -1 3 342.200 3.503 20 0 EHADHM Cc1ccc(C=Cc2ccc(-c3nn[n-]n3)cn2)c(Br)c1 ZINC000826285779 607808031 /nfs/dbraw/zinc/80/80/31/607808031.db2.gz JORXGFIZTYHXAR-XQRVVYSFSA-N -1 3 342.200 3.503 20 0 EHADHM CC1(C)CCC[C@@H](C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000824803014 607927825 /nfs/dbraw/zinc/92/78/25/607927825.db2.gz RHZUCAGQANCQGL-LLVKDONJSA-N -1 3 333.823 3.675 20 0 EHADHM CC1(C)CCC[C@@H](C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000824803014 607927826 /nfs/dbraw/zinc/92/78/26/607927826.db2.gz RHZUCAGQANCQGL-LLVKDONJSA-N -1 3 333.823 3.675 20 0 EHADHM C[C@H](OC(=O)[C@@H]1CCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000824713715 608184692 /nfs/dbraw/zinc/18/46/92/608184692.db2.gz KEBACSLHXCESGT-SCLBCKFNSA-N -1 3 348.406 3.591 20 0 EHADHM C[C@H](OC(=O)[C@@H]1CCCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000824713715 608184693 /nfs/dbraw/zinc/18/46/93/608184693.db2.gz KEBACSLHXCESGT-SCLBCKFNSA-N -1 3 348.406 3.591 20 0 EHADHM Cc1ccc([C@H]2CCCCN2Cc2cccc(-c3nnn[n-]3)c2F)o1 ZINC000826285790 608397291 /nfs/dbraw/zinc/39/72/91/608397291.db2.gz JTFQFJGYIRPUCO-OAHLLOKOSA-N -1 3 341.390 3.634 20 0 EHADHM CC(C)Cn1ncc(NCc2cc(-c3nnn[n-]3)cs2)c1C(C)C ZINC000824285013 608427273 /nfs/dbraw/zinc/42/72/73/608427273.db2.gz SIZWIADTJQPXEK-UHFFFAOYSA-N -1 3 345.476 3.516 20 0 EHADHM CC(C)Cn1ncc(NCc2cc(-c3nn[n-]n3)cs2)c1C(C)C ZINC000824285013 608427274 /nfs/dbraw/zinc/42/72/74/608427274.db2.gz SIZWIADTJQPXEK-UHFFFAOYSA-N -1 3 345.476 3.516 20 0 EHADHM Fc1c(CNc2cc(Cl)ccc2Cl)cccc1-c1nnn[n-]1 ZINC000826370924 608479533 /nfs/dbraw/zinc/47/95/33/608479533.db2.gz LTMCGVKYALSMJA-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM Fc1c(CNc2cc(Cl)ccc2Cl)cccc1-c1nn[n-]n1 ZINC000826370924 608479534 /nfs/dbraw/zinc/47/95/34/608479534.db2.gz LTMCGVKYALSMJA-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM c1ccc(-c2nnn[n-]2)c(COc2cccc(Oc3cccnc3)c2)c1 ZINC000826525873 608800422 /nfs/dbraw/zinc/80/04/22/608800422.db2.gz CITBSOCMHRPRRH-UHFFFAOYSA-N -1 3 345.362 3.633 20 0 EHADHM c1ccc(-c2nn[n-]n2)c(COc2cccc(Oc3cccnc3)c2)c1 ZINC000826525873 608800423 /nfs/dbraw/zinc/80/04/23/608800423.db2.gz CITBSOCMHRPRRH-UHFFFAOYSA-N -1 3 345.362 3.633 20 0 EHADHM C[C@@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)c1ccc(F)cc1F ZINC000824532880 609152467 /nfs/dbraw/zinc/15/24/67/609152467.db2.gz XQTRMEFXJZVXJN-VHSXEESVSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@H](Nc1cccc(OC(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824663032 609164545 /nfs/dbraw/zinc/16/45/45/609164545.db2.gz UZEXIIHYWNEAKP-JTQLQIEISA-N -1 3 349.316 3.938 20 0 EHADHM C[C@H](Nc1cccc(OC(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824663032 609164546 /nfs/dbraw/zinc/16/45/46/609164546.db2.gz UZEXIIHYWNEAKP-JTQLQIEISA-N -1 3 349.316 3.938 20 0 EHADHM COc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c2cccnc12 ZINC000826210202 609276760 /nfs/dbraw/zinc/27/67/60/609276760.db2.gz IXJMWKQMNNZKCM-GFCCVEGCSA-N -1 3 346.394 3.597 20 0 EHADHM COc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c2cccnc12 ZINC000826210202 609276761 /nfs/dbraw/zinc/27/67/61/609276761.db2.gz IXJMWKQMNNZKCM-GFCCVEGCSA-N -1 3 346.394 3.597 20 0 EHADHM CCOCc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000825605196 609348071 /nfs/dbraw/zinc/34/80/71/609348071.db2.gz RFTFWFVXWOKIHA-GFCCVEGCSA-N -1 3 341.390 3.715 20 0 EHADHM CCOCc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000825605196 609348073 /nfs/dbraw/zinc/34/80/73/609348073.db2.gz RFTFWFVXWOKIHA-GFCCVEGCSA-N -1 3 341.390 3.715 20 0 EHADHM c1sc2ccccc2c1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826518003 609440991 /nfs/dbraw/zinc/44/09/91/609440991.db2.gz XWTPGPNANHFGRL-UHFFFAOYSA-N -1 3 337.408 3.572 20 0 EHADHM c1sc2ccccc2c1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826518003 609440993 /nfs/dbraw/zinc/44/09/93/609440993.db2.gz XWTPGPNANHFGRL-UHFFFAOYSA-N -1 3 337.408 3.572 20 0 EHADHM CC(C)Oc1c(F)cc(NCc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000824314521 609480408 /nfs/dbraw/zinc/48/04/08/609480408.db2.gz CUULYBNIZYSERL-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM CC(C)Oc1c(F)cc(NCc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000824314521 609480410 /nfs/dbraw/zinc/48/04/10/609480410.db2.gz CUULYBNIZYSERL-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM COc1cc(CNc2cccc(-c3nnn[n-]3)c2C)ccc1SC ZINC000826179576 609485303 /nfs/dbraw/zinc/48/53/03/609485303.db2.gz VIBUOVFWJHNCBH-UHFFFAOYSA-N -1 3 341.440 3.518 20 0 EHADHM COc1cc(CNc2cccc(-c3nn[n-]n3)c2C)ccc1SC ZINC000826179576 609485304 /nfs/dbraw/zinc/48/53/04/609485304.db2.gz VIBUOVFWJHNCBH-UHFFFAOYSA-N -1 3 341.440 3.518 20 0 EHADHM CC[C@H](C)[C@@H](C)C(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825049314 609523025 /nfs/dbraw/zinc/52/30/25/609523025.db2.gz AKTURMMHQVNCIM-UONOGXRCSA-N -1 3 329.448 3.538 20 0 EHADHM CC[C@H](C)[C@@H](C)C(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825049314 609523027 /nfs/dbraw/zinc/52/30/27/609523027.db2.gz AKTURMMHQVNCIM-UONOGXRCSA-N -1 3 329.448 3.538 20 0 EHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)C2C[C@H](C)C[C@@H](C)C2)s1 ZINC000825693940 609532793 /nfs/dbraw/zinc/53/27/93/609532793.db2.gz HWPMWJQPEGFDCX-NXEZZACHSA-N -1 3 333.461 3.501 20 0 EHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C2C[C@H](C)C[C@@H](C)C2)s1 ZINC000825693940 609532794 /nfs/dbraw/zinc/53/27/94/609532794.db2.gz HWPMWJQPEGFDCX-NXEZZACHSA-N -1 3 333.461 3.501 20 0 EHADHM CC[C@H](Nc1nccc(C)c1-c1nnn[n-]1)c1ccc(Cl)s1 ZINC000825146835 609569584 /nfs/dbraw/zinc/56/95/84/609569584.db2.gz FGZAREVQNIGRQZ-VIFPVBQESA-N -1 3 334.836 3.848 20 0 EHADHM CC[C@H](Nc1nccc(C)c1-c1nn[n-]n1)c1ccc(Cl)s1 ZINC000825146835 609569586 /nfs/dbraw/zinc/56/95/86/609569586.db2.gz FGZAREVQNIGRQZ-VIFPVBQESA-N -1 3 334.836 3.848 20 0 EHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000738143402 945251976 /nfs/dbraw/zinc/25/19/76/945251976.db2.gz ARWDMVZAMMMMJR-ZIAGYGMSSA-N -1 3 345.834 3.675 20 0 EHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000738143402 945251983 /nfs/dbraw/zinc/25/19/83/945251983.db2.gz ARWDMVZAMMMMJR-ZIAGYGMSSA-N -1 3 345.834 3.675 20 0 EHADHM CC(C)(CNc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1CCCCO1 ZINC000819984582 945323603 /nfs/dbraw/zinc/32/36/03/945323603.db2.gz YUROBCHYARZTEK-AWEZNQCLSA-N -1 3 335.839 3.527 20 0 EHADHM CC(C)(CNc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1CCCCO1 ZINC000819984582 945323614 /nfs/dbraw/zinc/32/36/14/945323614.db2.gz YUROBCHYARZTEK-AWEZNQCLSA-N -1 3 335.839 3.527 20 0 EHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)[C@@H](c1ccccc1)C(F)(F)F ZINC000736821222 944895121 /nfs/dbraw/zinc/89/51/21/944895121.db2.gz ACISYKZGMUDZHM-HNNXBMFYSA-N -1 3 347.344 3.602 20 0 EHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)[C@@H](c1ccccc1)C(F)(F)F ZINC000736821222 944895126 /nfs/dbraw/zinc/89/51/26/944895126.db2.gz ACISYKZGMUDZHM-HNNXBMFYSA-N -1 3 347.344 3.602 20 0 EHADHM C[C@@H]1c2ccccc2CN1c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820825801 945560644 /nfs/dbraw/zinc/56/06/44/945560644.db2.gz DSPJGRRGVGJRQH-SNVBAGLBSA-N -1 3 345.328 3.967 20 0 EHADHM C[C@@H]1c2ccccc2CN1c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820825801 945560653 /nfs/dbraw/zinc/56/06/53/945560653.db2.gz DSPJGRRGVGJRQH-SNVBAGLBSA-N -1 3 345.328 3.967 20 0 EHADHM CC(=O)c1ccc(-c2nnn[n-]2)c(N[C@@H](C)c2ccccc2Cl)c1 ZINC000824014410 946547917 /nfs/dbraw/zinc/54/79/17/946547917.db2.gz IFJHEANFNOAKLS-JTQLQIEISA-N -1 3 341.802 3.896 20 0 EHADHM CC(=O)c1ccc(-c2nn[n-]n2)c(N[C@@H](C)c2ccccc2Cl)c1 ZINC000824014410 946547925 /nfs/dbraw/zinc/54/79/25/946547925.db2.gz IFJHEANFNOAKLS-JTQLQIEISA-N -1 3 341.802 3.896 20 0 EHADHM CC(C)n1ccnc1CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000824377305 946672591 /nfs/dbraw/zinc/67/25/91/946672591.db2.gz BKXBJQVQRZJCKT-UHFFFAOYSA-N -1 3 334.836 3.590 20 0 EHADHM CC(C)n1ccnc1CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000824377305 946672599 /nfs/dbraw/zinc/67/25/99/946672599.db2.gz BKXBJQVQRZJCKT-UHFFFAOYSA-N -1 3 334.836 3.590 20 0 EHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c2occc21 ZINC001542564558 948552786 /nfs/dbraw/zinc/55/27/86/948552786.db2.gz JGDXMXQNTCURQW-UHFFFAOYSA-N -1 3 339.742 3.519 20 0 EHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c2occc21 ZINC001542564558 948552792 /nfs/dbraw/zinc/55/27/92/948552792.db2.gz JGDXMXQNTCURQW-UHFFFAOYSA-N -1 3 339.742 3.519 20 0 EHADHM CCCCCOc1ccc(Br)cc1CN(C)CC(=O)[O-] ZINC000178910941 949490505 /nfs/dbraw/zinc/49/05/05/949490505.db2.gz BWZWUVPIQYLDMH-UHFFFAOYSA-N -1 3 344.249 3.535 20 0 EHADHM C[C@H]1CCCC[C@H]1Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001576164579 949561056 /nfs/dbraw/zinc/56/10/56/949561056.db2.gz HNNIFIRGTLYNOF-JOYOIKCWSA-N -1 3 341.337 3.756 20 0 EHADHM C[C@H]1CCCC[C@H]1Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001576164579 949561069 /nfs/dbraw/zinc/56/10/69/949561069.db2.gz HNNIFIRGTLYNOF-JOYOIKCWSA-N -1 3 341.337 3.756 20 0 EHADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(NCC2(C3CCC3)CCC2)n1 ZINC001573882089 950767308 /nfs/dbraw/zinc/76/73/08/950767308.db2.gz RJWOCWUBUABSQV-UHFFFAOYSA-N -1 3 340.475 3.942 20 0 EHADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(NCC2(C3CCC3)CCC2)n1 ZINC001573882089 950767322 /nfs/dbraw/zinc/76/73/22/950767322.db2.gz RJWOCWUBUABSQV-UHFFFAOYSA-N -1 3 340.475 3.942 20 0 EHADHM C[C@H]1CCc2sc(NC(=O)C(C)(C)C)c(-c3nnn[n-]3)c2[C@H]1C ZINC001576219859 950813160 /nfs/dbraw/zinc/81/31/60/950813160.db2.gz VTPYGIONAQXYRE-IUCAKERBSA-N -1 3 333.461 3.599 20 0 EHADHM C[C@H]1CCc2sc(NC(=O)C(C)(C)C)c(-c3nn[n-]n3)c2[C@H]1C ZINC001576219859 950813182 /nfs/dbraw/zinc/81/31/82/950813182.db2.gz VTPYGIONAQXYRE-IUCAKERBSA-N -1 3 333.461 3.599 20 0 EHADHM CC(C)CCCC(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001574191994 950933846 /nfs/dbraw/zinc/93/38/46/950933846.db2.gz JMIIBYLGJLPPIH-UHFFFAOYSA-N -1 3 335.477 3.991 20 0 EHADHM CC(C)CCCC(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001574191994 950933857 /nfs/dbraw/zinc/93/38/57/950933857.db2.gz JMIIBYLGJLPPIH-UHFFFAOYSA-N -1 3 335.477 3.991 20 0 EHADHM C[C@H](CNc1c(Br)cccc1-c1nnn[n-]1)C(C)(C)C ZINC001575118270 951984166 /nfs/dbraw/zinc/98/41/66/951984166.db2.gz RPAKPZFMGLEMOS-SECBINFHSA-N -1 3 338.253 3.723 20 0 EHADHM C[C@H](CNc1c(Br)cccc1-c1nn[n-]n1)C(C)(C)C ZINC001575118270 951984173 /nfs/dbraw/zinc/98/41/73/951984173.db2.gz RPAKPZFMGLEMOS-SECBINFHSA-N -1 3 338.253 3.723 20 0 EHADHM C[C@@H]1CCCN(Cc2cc(F)c(C(F)(F)F)cc2F)[C@H]1C(=O)[O-] ZINC001589334671 953982001 /nfs/dbraw/zinc/98/20/01/953982001.db2.gz RNLKKDLCEDOOBM-AMIZOPFISA-N -1 3 337.288 3.669 20 0 EHADHM O=C([O-])CC[C@H]1CCCN(C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000846281723 955707745 /nfs/dbraw/zinc/70/77/45/955707745.db2.gz PXYKCXWYYZKMIA-ABAIWWIYSA-N -1 3 346.254 3.604 20 0 EHADHM O=C([O-])c1cccc(CN2CCC(c3nc4c(s3)CCC4)CC2)c1 ZINC000923267380 957109823 /nfs/dbraw/zinc/10/98/23/957109823.db2.gz DJISKMPCWBBNTN-UHFFFAOYSA-N -1 3 342.464 3.710 20 0 EHADHM CN(Cc1ccc(C(=O)[O-])cc1)Cc1cccc(Br)c1 ZINC000037918838 957337108 /nfs/dbraw/zinc/33/71/08/957337108.db2.gz WRPNKJULMQNZDF-UHFFFAOYSA-N -1 3 334.213 3.779 20 0 EHADHM COc1cccc(-c2nc(CNC3(CC(=O)[O-])CCCCC3)co2)c1 ZINC001594120019 958589817 /nfs/dbraw/zinc/58/98/17/958589817.db2.gz OBGDEEISTFDVHG-UHFFFAOYSA-N -1 3 344.411 3.617 20 0 EHADHM CC[C@@H]1c2ccsc2CCN1CCOc1ccccc1C(=O)[O-] ZINC000183915737 959455852 /nfs/dbraw/zinc/45/58/52/959455852.db2.gz CWEJFXRDAXUXHN-OAHLLOKOSA-N -1 3 331.437 3.835 20 0 EHADHM O=C([O-])c1ccc(CN2CCCCCCC2)c(Br)c1 ZINC000226719084 959895860 /nfs/dbraw/zinc/89/58/60/959895860.db2.gz MNUAAAKAJHFAPB-UHFFFAOYSA-N -1 3 326.234 3.913 20 0 EHADHM O=C([O-])c1ccc(CNCc2cccc(OC3CCCC3)c2)cc1 ZINC000262683145 961803919 /nfs/dbraw/zinc/80/39/19/961803919.db2.gz BXAWQLXMWDQQCG-UHFFFAOYSA-N -1 3 325.408 3.996 20 0 EHADHM O=C([O-])Cc1ccccc1CNCc1cccc(OC2CCCC2)c1 ZINC000276980863 962846594 /nfs/dbraw/zinc/84/65/94/962846594.db2.gz IKLKQOAVIAIZLZ-UHFFFAOYSA-N -1 3 339.435 3.925 20 0 EHADHM Cc1[nH]c(CN[C@@H](C)c2ccc(Br)cc2)cc1C(=O)[O-] ZINC000312384513 963557967 /nfs/dbraw/zinc/55/79/67/963557967.db2.gz RUYDGUKEMFRWCA-VIFPVBQESA-N -1 3 337.217 3.635 20 0 EHADHM CC[C@H](C(=O)[O-])N(C)Cc1cc(Cl)c(C)cc1Br ZINC000650806007 968607796 /nfs/dbraw/zinc/60/77/96/968607796.db2.gz OHYWIFLXXHNQFX-GFCCVEGCSA-N -1 3 334.641 3.706 20 0 EHADHM CC1(C)CN(Cc2ccc(C(=O)[O-])s2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000652447266 968634632 /nfs/dbraw/zinc/63/46/32/968634632.db2.gz YDXJUEKJZAGIFJ-VBHSOAQHSA-N -1 3 335.469 3.616 20 0 EHADHM CCOc1cc(CN[C@@H](C(=O)[O-])c2cccc(C)c2)cc(Cl)c1O ZINC000904265300 969607548 /nfs/dbraw/zinc/60/75/48/969607548.db2.gz XQBVBKJQLDAYKL-MRXNPFEDSA-N -1 3 349.814 3.668 20 0 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CC1(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])CCOCC1 ZINC000436961725 1021410185 /nfs/dbraw/zinc/41/01/85/1021410185.db2.gz IESIDGDFFYKKLS-UHFFFAOYSA-N -1 3 341.407 3.731 20 0 EHADHM O=C(NCCCOCC1CC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436954793 1021418251 /nfs/dbraw/zinc/41/82/51/1021418251.db2.gz XPLRIZXSNDQGGM-UHFFFAOYSA-N -1 3 341.407 3.731 20 0 EHADHM Cc1cnc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])s1 ZINC000436981123 1021437094 /nfs/dbraw/zinc/43/70/94/1021437094.db2.gz PTTTYAYGBLSDAK-UHFFFAOYSA-N -1 3 340.404 3.988 20 0 EHADHM CCCCOc1ccc(C(=O)N(C)Cc2cccc(F)c2)c([O-])c1 ZINC000436969958 1021442288 /nfs/dbraw/zinc/44/22/88/1021442288.db2.gz BTMTVUAEPAWLRR-UHFFFAOYSA-N -1 3 331.387 3.982 20 0 EHADHM CCCCOc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)c([O-])c1 ZINC000436993239 1021447746 /nfs/dbraw/zinc/44/77/46/1021447746.db2.gz ZXXOUBYCTYAKNY-FZMZJTMJSA-N -1 3 345.361 3.984 20 0 EHADHM Cc1ccc(-c2nc(-c3ccc(N4CCCC4=O)cc3)no2)c([O-])c1 ZINC000436997613 1021455811 /nfs/dbraw/zinc/45/58/11/1021455811.db2.gz GRAMHOUJAVGTGV-UHFFFAOYSA-N -1 3 335.363 3.544 20 0 EHADHM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C)c(Cl)s2)C1 ZINC000473866954 1021499140 /nfs/dbraw/zinc/49/91/40/1021499140.db2.gz ROSDDTCDWMPQBX-NXEZZACHSA-N -1 3 339.935 3.662 20 0 EHADHM Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])c(C)n1[C@H]1CCOC1 ZINC000528879965 1033001069 /nfs/dbraw/zinc/00/10/69/1033001069.db2.gz ZWPDJLPYBXVDGG-ZDUSSCGKSA-N -1 3 334.803 3.678 20 0 EHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)cc1 ZINC000164686426 1021835553 /nfs/dbraw/zinc/83/55/53/1021835553.db2.gz ULGAATYTMNYPLH-UHFFFAOYSA-N -1 3 328.393 3.759 20 0 EHADHM Cc1onc(C2CC2)c1C(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000516950142 1021884261 /nfs/dbraw/zinc/88/42/61/1021884261.db2.gz MCAOUCSUZSPGCV-UHFFFAOYSA-N -1 3 326.381 3.631 20 0 EHADHM Cc1ccc(NC(=O)c2cnn[n-]2)cc1OCc1cccc(Cl)c1 ZINC000188346053 1022090547 /nfs/dbraw/zinc/09/05/47/1022090547.db2.gz ZNUZHHBNJBGDBC-UHFFFAOYSA-N -1 3 342.786 3.598 20 0 EHADHM Cc1ccc(NC(=O)c2c[n-]nn2)cc1OCc1cccc(Cl)c1 ZINC000188346053 1022090559 /nfs/dbraw/zinc/09/05/59/1022090559.db2.gz ZNUZHHBNJBGDBC-UHFFFAOYSA-N -1 3 342.786 3.598 20 0 EHADHM Cc1ccc(NC(=O)c2cn[n-]n2)cc1OCc1cccc(Cl)c1 ZINC000188346053 1022090579 /nfs/dbraw/zinc/09/05/79/1022090579.db2.gz ZNUZHHBNJBGDBC-UHFFFAOYSA-N -1 3 342.786 3.598 20 0 EHADHM CC1(C)CN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)[C@@H]1c1cccnc1 ZINC000664816971 1022341123 /nfs/dbraw/zinc/34/11/23/1022341123.db2.gz AZJSYFIUIZRCCN-LJQANCHMSA-N -1 3 346.434 3.827 20 0 EHADHM Cc1ccn2cc(C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)nc2c1 ZINC000473588249 1022544558 /nfs/dbraw/zinc/54/45/58/1022544558.db2.gz OJZKANZFNZYKMH-UHFFFAOYSA-N -1 3 335.285 3.619 20 0 EHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccsc3)nc(=O)c2c1C ZINC000007136334 1022717509 /nfs/dbraw/zinc/71/75/09/1022717509.db2.gz KRMQYOBWGMXLGM-QMMMGPOBSA-N -1 3 334.422 3.581 20 0 EHADHM CC(=O)c1ccc(C(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)cc1[O-] ZINC000331324811 1022786418 /nfs/dbraw/zinc/78/64/18/1022786418.db2.gz FXVCPIXAOOUXBI-AWEZNQCLSA-N -1 3 343.345 3.645 20 0 EHADHM Cc1ccc(C(=O)N2CCc3ccc(Br)cc32)c([O-])c1 ZINC000112265632 1022914549 /nfs/dbraw/zinc/91/45/49/1022914549.db2.gz JIXSPKZCBKCVSU-UHFFFAOYSA-N -1 3 332.197 3.666 20 0 EHADHM CC(C)[C@H](CC1CCCCC1)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473846993 1022951026 /nfs/dbraw/zinc/95/10/26/1022951026.db2.gz LAHNIDGXZIPWFJ-DOTOQJQBSA-N -1 3 333.476 3.864 20 0 EHADHM Cc1ccsc1CN[C@@H](CSCCc1ccccc1)C(=O)[O-] ZINC000426734373 1023003857 /nfs/dbraw/zinc/00/38/57/1023003857.db2.gz QEPGKPXVNKLCNU-HNNXBMFYSA-N -1 3 335.494 3.575 20 0 EHADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000528916971 1033094983 /nfs/dbraw/zinc/09/49/83/1033094983.db2.gz IEWWCPQFCXDQBR-HNNXBMFYSA-N -1 3 348.805 3.788 20 0 EHADHM Cc1ccc(CN[C@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)cc1C ZINC000426752500 1023022749 /nfs/dbraw/zinc/02/27/49/1023022749.db2.gz AKHXEPTWVWGYBZ-HXUWFJFHSA-N -1 3 349.434 3.795 20 0 EHADHM CC(C)Cc1ccc([C@H](C)C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000429609108 1023035552 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CC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)cc1[O-] ZINC000436526654 1025832274 /nfs/dbraw/zinc/83/22/74/1025832274.db2.gz AWHVGOZOJDFYBI-SNVBAGLBSA-N -1 3 349.333 3.687 20 0 EHADHM Cc1ccc(C(=O)N2CCc3cccc(Br)c3C2)c([O-])c1 ZINC000436535469 1025844343 /nfs/dbraw/zinc/84/43/43/1025844343.db2.gz LAAHPOAVOYJFGF-UHFFFAOYSA-N -1 3 346.224 3.662 20 0 EHADHM COc1ccc(C(=O)N2CCCC[C@@H]2Cc2ccccc2)c([O-])c1 ZINC000436535067 1025846218 /nfs/dbraw/zinc/84/62/18/1025846218.db2.gz MROGXZWKGMJPBD-MRXNPFEDSA-N -1 3 325.408 3.638 20 0 EHADHM O=C(N=c1cc(-c2ccccc2)[nH][nH]1)c1cc([O-])c2ccccc2c1 ZINC000582329733 1025867002 /nfs/dbraw/zinc/86/70/02/1025867002.db2.gz HIGZPOZDEMGTDH-UHFFFAOYSA-N -1 3 329.359 3.610 20 0 EHADHM Cc1ccc(C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)c([O-])c1 ZINC000436539908 1025867975 /nfs/dbraw/zinc/86/79/75/1025867975.db2.gz UZKQKUQDANJOIV-AWEZNQCLSA-N -1 3 344.386 3.683 20 0 EHADHM O=C(N[C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccccc1[O-] ZINC000436540284 1025872381 /nfs/dbraw/zinc/87/23/81/1025872381.db2.gz ROHXBSPBBVLCBU-LJQANCHMSA-N -1 3 346.386 3.502 20 0 EHADHM CC(C)(NC(=O)c1ccccc1[O-])c1nc(C(F)(F)F)cs1 ZINC000436577574 1025883424 /nfs/dbraw/zinc/88/34/24/1025883424.db2.gz VBVIZDVWRKCGBI-UHFFFAOYSA-N -1 3 330.331 3.533 20 0 EHADHM Cc1nc(CNC(=O)c2ccccc2[O-])oc1-c1ccc(Cl)cc1 ZINC000436591116 1025909156 /nfs/dbraw/zinc/90/91/56/1025909156.db2.gz VPYBYCPAMQQWRN-UHFFFAOYSA-N -1 3 342.782 3.939 20 0 EHADHM COc1ccc(C(=O)N2C[C@H](C)C[C@@H]2c2ccccc2F)c([O-])c1 ZINC000436578934 1025919238 /nfs/dbraw/zinc/91/92/38/1025919238.db2.gz XUDNKRFTGVDZKS-SJKOYZFVSA-N -1 3 329.371 3.763 20 0 EHADHM C[C@H](O)CC(C)(C)CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436578238 1025919305 /nfs/dbraw/zinc/91/93/05/1025919305.db2.gz WREKVZIEQKTSAA-HNNXBMFYSA-N -1 3 341.451 3.510 20 0 EHADHM Cc1ccc(C(=O)Nc2ccccc2CC(=O)OC(C)(C)C)c([O-])c1 ZINC000436583194 1025925519 /nfs/dbraw/zinc/92/55/19/1025925519.db2.gz GVPMJMLIJSAJRO-UHFFFAOYSA-N -1 3 341.407 3.837 20 0 EHADHM O=C(NCc1cccnc1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436589317 1025929681 /nfs/dbraw/zinc/92/96/81/1025929681.db2.gz PRCWSTZYXNMGBM-UHFFFAOYSA-N -1 3 332.403 3.502 20 0 EHADHM COc1ccc(C(=O)N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)c([O-])c1 ZINC000436589074 1025930369 /nfs/dbraw/zinc/93/03/69/1025930369.db2.gz JQBNJROKIIJUHJ-YVEFUNNKSA-N -1 3 329.371 3.763 20 0 EHADHM CC(C)c1ccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)c([O-])c1 ZINC000436628066 1025954880 /nfs/dbraw/zinc/95/48/80/1025954880.db2.gz WLBRMRCVGVUSBD-QGZVFWFLSA-N -1 3 342.439 3.676 20 0 EHADHM CCN(C[C@@H](C)OC)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436657011 1025985905 /nfs/dbraw/zinc/98/59/05/1025985905.db2.gz SUYHTMLQCGATDC-MRXNPFEDSA-N -1 3 341.451 3.674 20 0 EHADHM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc(O)cc2[O-])o1 ZINC000436669791 1026007663 /nfs/dbraw/zinc/00/76/63/1026007663.db2.gz NVSPNHYPBUZJAY-BLLLJJGKSA-N -1 3 329.396 3.867 20 0 EHADHM C[C@H](NC(=O)c1c([O-])cccc1O)c1ccc(C(F)(F)F)cc1 ZINC000436674141 1026023337 /nfs/dbraw/zinc/02/33/37/1026023337.db2.gz NTSJLGGDVCBSRY-VIFPVBQESA-N -1 3 325.286 3.608 20 0 EHADHM Cc1ccc(C(=O)N2CCC(c3c(F)cccc3F)CC2)c([O-])c1 ZINC000436677137 1026026095 /nfs/dbraw/zinc/02/60/95/1026026095.db2.gz BJXKCSQLHNNXKT-UHFFFAOYSA-N -1 3 331.362 3.999 20 0 EHADHM C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1ccccc1[O-] ZINC000110515038 1026056646 /nfs/dbraw/zinc/05/66/46/1026056646.db2.gz CXCUUFOFISJZBB-SJCJKPOMSA-N -1 3 331.799 3.648 20 0 EHADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000896813868 1026061049 /nfs/dbraw/zinc/06/10/49/1026061049.db2.gz CZLUWFXINFIWNG-DIFFPNOSSA-N -1 3 348.393 3.847 20 0 EHADHM CCOCc1ccc([N-]S(=O)(=O)c2ccc(OCC)c(C)c2)cc1 ZINC000608343769 1026069108 /nfs/dbraw/zinc/06/91/08/1026069108.db2.gz YXLFEPXLJSKBOA-UHFFFAOYSA-N -1 3 349.452 3.731 20 0 EHADHM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc(C)cc1[O-])[C@@H]2C ZINC000436707122 1026071370 /nfs/dbraw/zinc/07/13/70/1026071370.db2.gz UPFXYCSNOLLGPO-UONOGXRCSA-N -1 3 325.408 3.857 20 0 EHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@@H]1CF ZINC000436726177 1026074321 /nfs/dbraw/zinc/07/43/21/1026074321.db2.gz WUSWCRVJBOMYMR-QGZVFWFLSA-N -1 3 327.399 3.752 20 0 EHADHM Cc1ccc(C(=O)Nc2nnc(-c3ccsc3)s2)c([O-])c1C ZINC000436720991 1026094126 /nfs/dbraw/zinc/09/41/26/1026094126.db2.gz KRPMDDZODTUDAF-UHFFFAOYSA-N -1 3 331.422 3.841 20 0 EHADHM C[C@@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])c1ccon1 ZINC000436763171 1026133247 /nfs/dbraw/zinc/13/32/47/1026133247.db2.gz FPEQSAAWSGBEBU-CQSZACIVSA-N -1 3 336.391 3.656 20 0 EHADHM COc1cccc2c1CCN(C(=O)c1ccc(C(C)C)cc1[O-])C2 ZINC000436748087 1026134991 /nfs/dbraw/zinc/13/49/91/1026134991.db2.gz DMSXGHLFLCRZRE-UHFFFAOYSA-N -1 3 325.408 3.723 20 0 EHADHM Cc1cc(S(=O)(=O)[N-]CCCC(C)(F)F)c(Cl)cc1F ZINC000451606764 1026137770 /nfs/dbraw/zinc/13/77/70/1026137770.db2.gz IYKOSILRIVYKTA-UHFFFAOYSA-N -1 3 329.771 3.501 20 0 EHADHM CCC[C@@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)C1CCCCC1 ZINC000436771911 1026146765 /nfs/dbraw/zinc/14/67/65/1026146765.db2.gz YMTAACWJAJKLSS-OAHLLOKOSA-N -1 3 335.444 3.888 20 0 EHADHM Cc1ccc(C(C)(C)C)cc1[S@@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000582407732 1026179196 /nfs/dbraw/zinc/17/91/96/1026179196.db2.gz LZBGIVBZFVDQJT-DEOSSOPVSA-N -1 3 344.480 3.973 20 0 EHADHM CCc1cccc(C(=O)Nc2ccc3oc(CCOC)nc3c2)c1[O-] ZINC000530758823 1026288941 /nfs/dbraw/zinc/28/89/41/1026288941.db2.gz YSURVFUHMLICID-UHFFFAOYSA-N -1 3 340.379 3.537 20 0 EHADHM Cc1noc(C2CC2)c1[N-]C(=O)c1sc([C@H]2CCCO2)nc1C ZINC000342612950 1026465480 /nfs/dbraw/zinc/46/54/80/1026465480.db2.gz WEZDKOKOKFZLTN-LLVKDONJSA-N -1 3 333.413 3.729 20 0 EHADHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000452143906 1026513484 /nfs/dbraw/zinc/51/34/84/1026513484.db2.gz DVFPAAKTVWKROA-AWEZNQCLSA-N -1 3 333.790 3.743 20 0 EHADHM Cc1cc([C@H](C)NC(=O)c2c[n-]c3ccccc3c2=O)c(C)s1 ZINC000025015487 1026618065 /nfs/dbraw/zinc/61/80/65/1026618065.db2.gz IGGRWKIYNMBINC-NSHDSACASA-N -1 3 326.421 3.697 20 0 EHADHM CCOc1cccc(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000531155520 1026650875 /nfs/dbraw/zinc/65/08/75/1026650875.db2.gz VQVGJAAAWOQMFS-UHFFFAOYSA-N -1 3 336.185 3.806 20 0 EHADHM CCc1cccc(C(=O)N2CCC(c3ccc(OC)cc3)CC2)c1[O-] ZINC000531196261 1026680585 /nfs/dbraw/zinc/68/05/85/1026680585.db2.gz SLBYHEFPNKTTQL-UHFFFAOYSA-N -1 3 339.435 3.983 20 0 EHADHM COCc1csc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)n1 ZINC000115241519 1026786803 /nfs/dbraw/zinc/78/68/03/1026786803.db2.gz ZASKVYFFDGYOJO-UHFFFAOYSA-N -1 3 349.799 3.850 20 0 EHADHM CCc1cc(=O)[n-]c(-c2ccc(NCC3(OC)CCCCC3)nc2)n1 ZINC000302408995 1027143742 /nfs/dbraw/zinc/14/37/42/1027143742.db2.gz MJTYOJGLMQXLDD-UHFFFAOYSA-N -1 3 342.443 3.568 20 0 EHADHM [O-]c1ccc(CNc2nn3cc(C4CCCC4)nc3s2)cc1F ZINC000302558410 1027193972 /nfs/dbraw/zinc/19/39/72/1027193972.db2.gz SPLVZXWSXSYIKS-UHFFFAOYSA-N -1 3 332.404 3.905 20 0 EHADHM C[C@@H]1CCCC[C@H]1CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000531762679 1027331022 /nfs/dbraw/zinc/33/10/22/1027331022.db2.gz HKOLNADFYYKVTL-YPMHNXCESA-N -1 3 340.261 3.987 20 0 EHADHM C[C@H]1CCC[C@H](OCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC000531783180 1027375781 /nfs/dbraw/zinc/37/57/81/1027375781.db2.gz PDVKAOQYOGJFES-JQWIXIFHSA-N -1 3 331.334 3.945 20 0 EHADHM Cn1cccc1[C@@H]1CCCN1Cc1cccc([O-])c1Br ZINC000459297223 1027376628 /nfs/dbraw/zinc/37/66/28/1027376628.db2.gz FZWVGFJAQBMHEO-AWEZNQCLSA-N -1 3 335.245 3.830 20 0 EHADHM CCc1ccc(CN(C)c2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)cc1 ZINC000111104003 1027912091 /nfs/dbraw/zinc/91/20/91/1027912091.db2.gz GWOBUIAKELYKNJ-UHFFFAOYSA-N -1 3 348.450 3.593 20 0 EHADHM CC(C)CN(C(=O)c1ccc(O)cc1[O-])[C@@H]1CCCc2cccnc21 ZINC000133800433 1028067744 /nfs/dbraw/zinc/06/77/44/1028067744.db2.gz YKKBHUCJOULHGD-QGZVFWFLSA-N -1 3 340.423 3.669 20 0 EHADHM COc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1-c1ccccn1 ZINC000134132402 1028095595 /nfs/dbraw/zinc/09/55/95/1028095595.db2.gz IQPSJDMCUWYKSI-UHFFFAOYSA-N -1 3 338.338 3.854 20 0 EHADHM COc1cc(C(=O)NC[C@@H](c2ccccc2)C(C)C)cc(OC)c1[O-] ZINC000161590757 1028199383 /nfs/dbraw/zinc/19/93/83/1028199383.db2.gz RLAMCXGNRHMIFG-MRXNPFEDSA-N -1 3 343.423 3.579 20 0 EHADHM O=C(NCc1ccc([O-])c(F)c1)c1csc(-c2ccccc2F)n1 ZINC000523424933 1028295335 /nfs/dbraw/zinc/29/53/35/1028295335.db2.gz WAVSMEYOVWWLAP-UHFFFAOYSA-N -1 3 346.358 3.724 20 0 EHADHM Cc1cc(C)cc(-c2cc(=NC(=O)[C@H]3CCCc4cccnc43)[nH][n-]2)c1 ZINC000444825933 1028298654 /nfs/dbraw/zinc/29/86/54/1028298654.db2.gz YENITPDGMVBEBR-KRWDZBQOSA-N -1 3 346.434 3.569 20 0 EHADHM CCc1nc(C)c(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)s1 ZINC000342944750 1028308966 /nfs/dbraw/zinc/30/89/66/1028308966.db2.gz OZSQILCQMYVNKI-UHFFFAOYSA-N -1 3 330.331 3.991 20 0 EHADHM Cc1oc(C(C)C)nc1C(=O)[N-]c1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000548780665 1028310690 /nfs/dbraw/zinc/31/06/90/1028310690.db2.gz LUVHVMHWORIAAV-UHFFFAOYSA-N -1 3 345.790 3.797 20 0 EHADHM Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2F)s1 ZINC000523418375 1028316641 /nfs/dbraw/zinc/31/66/41/1028316641.db2.gz PYMFKJICLDBVRJ-SECBINFHSA-N -1 3 347.864 3.759 20 0 EHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@@H](C)CC(C)C)cc2)n1 ZINC000067912727 1028380816 /nfs/dbraw/zinc/38/08/16/1028380816.db2.gz QBXURIQQTHHKJL-ZDUSSCGKSA-N -1 3 327.428 3.756 20 0 EHADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000523512472 1028385178 /nfs/dbraw/zinc/38/51/78/1028385178.db2.gz AIWPDJSYYLHPFG-GOEBONIOSA-N -1 3 342.414 3.927 20 0 EHADHM Cc1ccccc1C[C@@H](C)N(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000445135164 1028570043 /nfs/dbraw/zinc/57/00/43/1028570043.db2.gz LIHWCBBQIVGLSM-CQSZACIVSA-N -1 3 330.403 3.612 20 0 EHADHM COC(=O)c1cc(OC)c(Nc2ccc([O-])c(F)c2F)cc1Cl ZINC001212013696 1028708564 /nfs/dbraw/zinc/70/85/64/1028708564.db2.gz FLBRLZALIBZABC-UHFFFAOYSA-N -1 3 343.713 3.863 20 0 EHADHM CCCCOCC(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000524035974 1028797727 /nfs/dbraw/zinc/79/77/27/1028797727.db2.gz JWPHAXKELJSDNB-UHFFFAOYSA-N -1 3 342.226 3.561 20 0 EHADHM [O-]c1ccc(-c2noc(-c3cc(-c4cccs4)n[nH]3)n2)cc1F ZINC000445470574 1028814057 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3.562 20 0 EHADHM O=C(Cc1csc(-c2ccoc2)n1)Nc1ccc(Cl)cc1[O-] ZINC000153437670 1036746296 /nfs/dbraw/zinc/74/62/96/1036746296.db2.gz RKQCGQMXJQJMOY-UHFFFAOYSA-N -1 3 334.784 3.943 20 0 EHADHM COc1cccc(C(=O)Nc2cccc(OC3CCCC3)c2)c1[O-] ZINC000302935146 1036874232 /nfs/dbraw/zinc/87/42/32/1036874232.db2.gz HPPWOVJDFCBYGZ-UHFFFAOYSA-N -1 3 327.380 3.975 20 0 EHADHM C[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000303125100 1037123711 /nfs/dbraw/zinc/12/37/11/1037123711.db2.gz AAMHXEBGEBSWJG-LBPRGKRZSA-N -1 3 341.835 3.779 20 0 EHADHM CC(C)(C)c1ccccc1S(=O)(=O)Nc1cc([O-])c(F)cc1F ZINC000414391412 1037268949 /nfs/dbraw/zinc/26/89/49/1037268949.db2.gz CODAEIBWVHQHMR-UHFFFAOYSA-N -1 3 341.379 3.769 20 0 EHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000163649234 1037316266 /nfs/dbraw/zinc/31/62/66/1037316266.db2.gz FIRPIXSSEXOPAO-MRXNPFEDSA-N -1 3 346.377 3.587 20 0 EHADHM Cc1ccc(NC(=O)c2cc(F)cc(Cl)c2[O-])c(CN(C)C)c1 ZINC000177162809 1037403242 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O=C(OCc1nnc(-c2ccccc2[O-])o1)C1CCC(C2CC2)CC1 ZINC000884585874 1137963859 /nfs/dbraw/zinc/96/38/59/1137963859.db2.gz WZHBUPDHFCGRQB-UHFFFAOYSA-N -1 3 342.395 3.702 20 0 EHADHM COc1ccc([O-])c(C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)c1 ZINC000078355475 1138149000 /nfs/dbraw/zinc/14/90/00/1138149000.db2.gz MAHMHYKVLCXEMY-UHFFFAOYSA-N -1 3 342.395 3.556 20 0 EHADHM Cc1ccc(C(=O)N2CCC[C@@H]2CC(=O)c2cccs2)c([O-])c1 ZINC000092422970 1138227677 /nfs/dbraw/zinc/22/76/77/1138227677.db2.gz NKRXVYTZJUZLKA-CYBMUJFWSA-N -1 3 329.421 3.640 20 0 EHADHM CCOC(=O)c1nc(C2CC2)oc1[N-]C(=O)Nc1ccc(C)cc1C ZINC001202740490 1138255417 /nfs/dbraw/zinc/25/54/17/1138255417.db2.gz PWNQCVMNGOTLLK-UHFFFAOYSA-N -1 3 343.383 3.990 20 0 EHADHM CSc1ccsc1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000337247031 1138507095 /nfs/dbraw/zinc/50/70/95/1138507095.db2.gz JUBHWDLMUYPRBV-UHFFFAOYSA-N -1 3 325.362 3.593 20 0 EHADHM O=C(Nc1ncc(C2CCCCC2)s1)c1cc(F)cc2n[n-]nc21 ZINC000337408834 1138559534 /nfs/dbraw/zinc/55/95/34/1138559534.db2.gz 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CCC[C@@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1ccccc1 ZINC000179244382 1139745323 /nfs/dbraw/zinc/74/53/23/1139745323.db2.gz CDSHDUVDKTZDOX-OAHLLOKOSA-N -1 3 329.396 3.681 20 0 EHADHM Cc1ccc(-c2nc(C[C@H](C)N(C)C(=O)OC(C)(C)C)no2)c([O-])c1 ZINC000184879452 1140124184 /nfs/dbraw/zinc/12/41/84/1140124184.db2.gz IDYQRERPXKGRQX-LBPRGKRZSA-N -1 3 347.415 3.549 20 0 EHADHM COc1cc(C(=O)NC(C)(C)CCc2ccccc2)cc(OC)c1[O-] ZINC000186774365 1140220867 /nfs/dbraw/zinc/22/08/67/1140220867.db2.gz LVAVAABMLXFJCG-UHFFFAOYSA-N -1 3 343.423 3.551 20 0 EHADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H](C)c1cccc(F)c1F ZINC000192796012 1140551475 /nfs/dbraw/zinc/55/14/75/1140551475.db2.gz KKYUGIXMTSFFMM-JTQLQIEISA-N -1 3 326.293 3.637 20 0 EHADHM CCO[C@H](CCNC(=O)c1cc(=O)c2ccccc2[n-]1)C1CCCC1 ZINC000266981819 1140746745 /nfs/dbraw/zinc/74/67/45/1140746745.db2.gz DIPYHSFZTVKZDA-LJQANCHMSA-N -1 3 342.439 3.656 20 0 EHADHM CCC1(CC)[C@H](N(C)C(=O)c2cc(=O)c3ccccc3[n-]2)C[C@@H]1OC ZINC000268925204 1141026218 /nfs/dbraw/zinc/02/62/18/1141026218.db2.gz VVGDTLUCXCOXDD-MSOLQXFVSA-N -1 3 342.439 3.606 20 0 EHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H](C)c2ccc(C)cc2C)c1 ZINC000270041626 1141171900 /nfs/dbraw/zinc/17/19/00/1141171900.db2.gz KLBPIDSLJGSYAD-CQSZACIVSA-N -1 3 340.423 3.801 20 0 EHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cccc(C2SCCS2)c1 ZINC000274159938 1141480821 /nfs/dbraw/zinc/48/08/21/1141480821.db2.gz HEYPKJMJJOZFOF-ZDUSSCGKSA-N -1 3 340.470 3.745 20 0 EHADHM O=C([N-]O[C@H]1CCCCO1)Nc1cccc(C2SCCS2)c1 ZINC000274159938 1141480822 /nfs/dbraw/zinc/48/08/22/1141480822.db2.gz HEYPKJMJJOZFOF-ZDUSSCGKSA-N -1 3 340.470 3.745 20 0 EHADHM COc1cc(CN[C@H](C)c2ccc(C)o2)cc(Br)c1[O-] ZINC000034993628 522483278 /nfs/dbraw/zinc/48/32/78/522483278.db2.gz BKLZHDVTPOLZOS-SNVBAGLBSA-N -1 3 340.217 3.916 20 0 EHADHM Cc1ccc2oc(SCc3ccc(F)cc3-c3nnn[n-]3)nc2c1 ZINC000737380031 598862114 /nfs/dbraw/zinc/86/21/14/598862114.db2.gz KOUADQOXPZJZAG-UHFFFAOYSA-N -1 3 341.371 3.748 20 0 EHADHM Cc1ccc2oc(SCc3ccc(F)cc3-c3nn[n-]n3)nc2c1 ZINC000737380031 598862116 /nfs/dbraw/zinc/86/21/16/598862116.db2.gz KOUADQOXPZJZAG-UHFFFAOYSA-N -1 3 341.371 3.748 20 0 EHADHM C[C@H](c1cccc(Cl)c1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736198153 598937927 /nfs/dbraw/zinc/93/79/27/598937927.db2.gz GVFNPEDAHYIRAU-SECBINFHSA-N -1 3 349.225 3.766 20 0 EHADHM C[C@H](c1cccc(Cl)c1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736198153 598937929 /nfs/dbraw/zinc/93/79/29/598937929.db2.gz GVFNPEDAHYIRAU-SECBINFHSA-N -1 3 349.225 3.766 20 0 EHADHM CC[C@@H](c1ccccc1)N(CC)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736395121 598940057 /nfs/dbraw/zinc/94/00/57/598940057.db2.gz GSJQEZOHRUSOBK-HNNXBMFYSA-N -1 3 342.834 3.893 20 0 EHADHM CC[C@@H](c1ccccc1)N(CC)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736395121 598940059 /nfs/dbraw/zinc/94/00/59/598940059.db2.gz GSJQEZOHRUSOBK-HNNXBMFYSA-N -1 3 342.834 3.893 20 0 EHADHM Fc1cccc(Cl)c1[C@@H]1C[C@H]1Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737659182 598972275 /nfs/dbraw/zinc/97/22/75/598972275.db2.gz AAIJOTOGPKYKFF-BXUZGUMPSA-N -1 3 329.766 3.627 20 0 EHADHM COc1c(Cl)cccc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737023834 599324065 /nfs/dbraw/zinc/32/40/65/599324065.db2.gz FLZKNHMSVNNUKE-JTQLQIEISA-N -1 3 329.791 3.702 20 0 EHADHM COc1c(Cl)cccc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737023834 599324067 /nfs/dbraw/zinc/32/40/67/599324067.db2.gz FLZKNHMSVNNUKE-JTQLQIEISA-N -1 3 329.791 3.702 20 0 EHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(NC2CCCCCCC2)n1 ZINC000737632019 599037058 /nfs/dbraw/zinc/03/70/58/599037058.db2.gz IEMVTNOHNJRXLO-UHFFFAOYSA-N -1 3 340.353 3.805 20 0 EHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(NC2CCCCCCC2)n1 ZINC000737632019 599037061 /nfs/dbraw/zinc/03/70/61/599037061.db2.gz IEMVTNOHNJRXLO-UHFFFAOYSA-N -1 3 340.353 3.805 20 0 EHADHM C[C@@H]1CC[C@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)[C@@H](C)C1 ZINC000736244567 599056215 /nfs/dbraw/zinc/05/62/15/599056215.db2.gz KFKMIIJBCIVODP-YWVKMMECSA-N -1 3 340.353 3.517 20 0 EHADHM C[C@@H]1CC[C@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC000736244567 599056219 /nfs/dbraw/zinc/05/62/19/599056219.db2.gz KFKMIIJBCIVODP-YWVKMMECSA-N -1 3 340.353 3.517 20 0 EHADHM Clc1ccc([C@@H]2CCN2c2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822573976 599063535 /nfs/dbraw/zinc/06/35/35/599063535.db2.gz MEBGVIXZOLDADJ-ZDUSSCGKSA-N -1 3 347.209 3.520 20 0 EHADHM Clc1ccc([C@@H]2CCN2c2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822573976 599063538 /nfs/dbraw/zinc/06/35/38/599063538.db2.gz MEBGVIXZOLDADJ-ZDUSSCGKSA-N -1 3 347.209 3.520 20 0 EHADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)Sc1ccccc1 ZINC000820281643 599080037 /nfs/dbraw/zinc/08/00/37/599080037.db2.gz XGWVFXBHICCFDE-NSHDSACASA-N -1 3 329.404 3.599 20 0 EHADHM C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)Sc1ccccc1 ZINC000820281643 599080041 /nfs/dbraw/zinc/08/00/41/599080041.db2.gz XGWVFXBHICCFDE-NSHDSACASA-N -1 3 329.404 3.599 20 0 EHADHM Clc1cc(CSc2ccccc2-c2nnn[n-]2)cc(Cl)n1 ZINC000737565796 599110777 /nfs/dbraw/zinc/11/07/77/599110777.db2.gz QXKBZSBLNCPWBJ-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM Clc1cc(CSc2ccccc2-c2nn[n-]n2)cc(Cl)n1 ZINC000737565796 599110779 /nfs/dbraw/zinc/11/07/79/599110779.db2.gz QXKBZSBLNCPWBJ-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM Cc1nc(C)c(CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822431678 599226567 /nfs/dbraw/zinc/22/65/67/599226567.db2.gz FVWQNXOZLJFUEV-JTQLQIEISA-N -1 3 331.470 3.934 20 0 EHADHM Cc1nc(C)c(CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822431678 599226569 /nfs/dbraw/zinc/22/65/69/599226569.db2.gz FVWQNXOZLJFUEV-JTQLQIEISA-N -1 3 331.470 3.934 20 0 EHADHM Cc1c(NC(=O)c2ccc3sccc3c2)cccc1-c1nnn[n-]1 ZINC000822110080 607270896 /nfs/dbraw/zinc/27/08/96/607270896.db2.gz VCGSAKHLRJNIKL-UHFFFAOYSA-N -1 3 335.392 3.642 20 0 EHADHM Cc1c(NC(=O)c2ccc3sccc3c2)cccc1-c1nn[n-]n1 ZINC000822110080 607270897 /nfs/dbraw/zinc/27/08/97/607270897.db2.gz VCGSAKHLRJNIKL-UHFFFAOYSA-N -1 3 335.392 3.642 20 0 EHADHM Cc1c(NC(=O)N(CC(C)C)C2CCCC2)cccc1-c1nnn[n-]1 ZINC000822076596 607288353 /nfs/dbraw/zinc/28/83/53/607288353.db2.gz OBXVCTCQZXFNDG-UHFFFAOYSA-N -1 3 342.447 3.608 20 0 EHADHM Cc1c(NC(=O)N(CC(C)C)C2CCCC2)cccc1-c1nn[n-]n1 ZINC000822076596 607288354 /nfs/dbraw/zinc/28/83/54/607288354.db2.gz OBXVCTCQZXFNDG-UHFFFAOYSA-N -1 3 342.447 3.608 20 0 EHADHM Cc1c(NC(=O)c2cccc(Cl)c2Cl)cccc1-c1nnn[n-]1 ZINC000822110130 607295321 /nfs/dbraw/zinc/29/53/21/607295321.db2.gz WLHDZOXXKSQMFW-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1c(NC(=O)c2cccc(Cl)c2Cl)cccc1-c1nn[n-]n1 ZINC000822110130 607295322 /nfs/dbraw/zinc/29/53/22/607295322.db2.gz WLHDZOXXKSQMFW-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM c1sc(CNc2ccc(N3CCCCC3)cc2)cc1-c1nnn[n-]1 ZINC000823757867 607308724 /nfs/dbraw/zinc/30/87/24/607308724.db2.gz XEQRDNCBVJNVQV-UHFFFAOYSA-N -1 3 340.456 3.531 20 0 EHADHM c1sc(CNc2ccc(N3CCCCC3)cc2)cc1-c1nn[n-]n1 ZINC000823757867 607308725 /nfs/dbraw/zinc/30/87/25/607308725.db2.gz XEQRDNCBVJNVQV-UHFFFAOYSA-N -1 3 340.456 3.531 20 0 EHADHM COc1ccc(C(C)(C)C)cc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000821772995 607310633 /nfs/dbraw/zinc/31/06/33/607310633.db2.gz WMBRCPNIFWHLGF-UHFFFAOYSA-N -1 3 343.456 3.846 20 0 EHADHM COc1ccc(C(C)(C)C)cc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000821772995 607310634 /nfs/dbraw/zinc/31/06/34/607310634.db2.gz WMBRCPNIFWHLGF-UHFFFAOYSA-N -1 3 343.456 3.846 20 0 EHADHM Cc1nc(-c2cccc(NCc3cccc(-c4nnn[n-]4)c3)c2)oc1C ZINC000822418624 607313485 /nfs/dbraw/zinc/31/34/85/607313485.db2.gz AKKREMWXHQGMHU-UHFFFAOYSA-N -1 3 346.394 3.751 20 0 EHADHM Cc1nc(-c2cccc(NCc3cccc(-c4nn[n-]n4)c3)c2)oc1C ZINC000822418624 607313486 /nfs/dbraw/zinc/31/34/86/607313486.db2.gz AKKREMWXHQGMHU-UHFFFAOYSA-N -1 3 346.394 3.751 20 0 EHADHM c1csc(-c2cccc(NCc3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000823751227 607313663 /nfs/dbraw/zinc/31/36/63/607313663.db2.gz BKJIJDHBFTYCMO-UHFFFAOYSA-N -1 3 334.408 3.602 20 0 EHADHM c1csc(-c2cccc(NCc3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000823751227 607313664 /nfs/dbraw/zinc/31/36/64/607313664.db2.gz BKJIJDHBFTYCMO-UHFFFAOYSA-N -1 3 334.408 3.602 20 0 EHADHM CCc1c(C)sc(NC(=O)c2ccccc2CC)c1-c1nnn[n-]1 ZINC000821492550 607314022 /nfs/dbraw/zinc/31/40/22/607314022.db2.gz QYTVLZWCMGEECX-UHFFFAOYSA-N -1 3 341.440 3.614 20 0 EHADHM CCc1c(C)sc(NC(=O)c2ccccc2CC)c1-c1nn[n-]n1 ZINC000821492550 607314023 /nfs/dbraw/zinc/31/40/23/607314023.db2.gz QYTVLZWCMGEECX-UHFFFAOYSA-N -1 3 341.440 3.614 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1NCc1cc2c(s1)CCCC2 ZINC000737644762 598239459 /nfs/dbraw/zinc/23/94/59/598239459.db2.gz LPKJFFNZBWOSQW-UHFFFAOYSA-N -1 3 329.404 3.558 20 0 EHADHM CN(Cc1ccccc1-c1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000736828818 598247090 /nfs/dbraw/zinc/24/70/90/598247090.db2.gz TXOJRFKBKPIJMS-UHFFFAOYSA-N -1 3 342.406 3.565 20 0 EHADHM CN(Cc1ccccc1-c1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000736828818 598247091 /nfs/dbraw/zinc/24/70/91/598247091.db2.gz TXOJRFKBKPIJMS-UHFFFAOYSA-N -1 3 342.406 3.565 20 0 EHADHM Cc1ccc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000737343424 598274216 /nfs/dbraw/zinc/27/42/16/598274216.db2.gz XIGZRTLOVRPIAD-UHFFFAOYSA-N -1 3 333.317 3.806 20 0 EHADHM Cc1ccc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000737343424 598274217 /nfs/dbraw/zinc/27/42/17/598274217.db2.gz XIGZRTLOVRPIAD-UHFFFAOYSA-N -1 3 333.317 3.806 20 0 EHADHM CN(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736828125 598274412 /nfs/dbraw/zinc/27/44/12/598274412.db2.gz LFXPFFDLCDKURT-UHFFFAOYSA-N -1 3 333.317 3.522 20 0 EHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C1CCCCCC1 ZINC000735904436 598295465 /nfs/dbraw/zinc/29/54/65/598295465.db2.gz PQBWKZLGJYGIRU-UHFFFAOYSA-N -1 3 343.431 3.563 20 0 EHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C1CCCCCC1 ZINC000735904436 598295467 /nfs/dbraw/zinc/29/54/67/598295467.db2.gz PQBWKZLGJYGIRU-UHFFFAOYSA-N -1 3 343.431 3.563 20 0 EHADHM Clc1cccc2c1CC[C@H]2Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737558153 598392563 /nfs/dbraw/zinc/39/25/63/598392563.db2.gz LIAXSABWJOWUCV-CYBMUJFWSA-N -1 3 347.209 3.668 20 0 EHADHM Clc1cccc2c1CC[C@H]2Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737558153 598392564 /nfs/dbraw/zinc/39/25/64/598392564.db2.gz LIAXSABWJOWUCV-CYBMUJFWSA-N -1 3 347.209 3.668 20 0 EHADHM C(=Cc1ccc(-c2nnn[n-]2)cn1)c1cnc(-c2ccccc2)s1 ZINC000735399836 598439013 /nfs/dbraw/zinc/43/90/13/598439013.db2.gz LKJCXYYRUQMCGG-HJWRWDBZSA-N -1 3 332.392 3.556 20 0 EHADHM C(=Cc1ccc(-c2nn[n-]n2)cn1)c1cnc(-c2ccccc2)s1 ZINC000735399836 598439015 /nfs/dbraw/zinc/43/90/15/598439015.db2.gz LKJCXYYRUQMCGG-HJWRWDBZSA-N -1 3 332.392 3.556 20 0 EHADHM C[C@@H](c1ccc(Cl)cc1)[S@@](=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736199054 598492182 /nfs/dbraw/zinc/49/21/82/598492182.db2.gz MWMXPCZUXADFPF-RULNZOCKSA-N -1 3 346.843 3.530 20 0 EHADHM C[C@@H](c1ccc(Cl)cc1)[S@@](=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736199054 598492183 /nfs/dbraw/zinc/49/21/83/598492183.db2.gz MWMXPCZUXADFPF-RULNZOCKSA-N -1 3 346.843 3.530 20 0 EHADHM COc1ccc([C@@H](C)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1F ZINC000737077797 598507915 /nfs/dbraw/zinc/50/79/15/598507915.db2.gz YQJULYAMHNCBKK-SECBINFHSA-N -1 3 347.781 3.841 20 0 EHADHM COc1ccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1F ZINC000737077797 598507917 /nfs/dbraw/zinc/50/79/17/598507917.db2.gz YQJULYAMHNCBKK-SECBINFHSA-N -1 3 347.781 3.841 20 0 EHADHM CCc1c(C)sc(NC(=O)C[C@@H](C)CC(C)C)c1-c1nnn[n-]1 ZINC000736670397 598514196 /nfs/dbraw/zinc/51/41/96/598514196.db2.gz OTXILLGXFJRFEA-JTQLQIEISA-N -1 3 335.477 3.810 20 0 EHADHM CCc1c(C)sc(NC(=O)C[C@@H](C)CC(C)C)c1-c1nn[n-]n1 ZINC000736670397 598514197 /nfs/dbraw/zinc/51/41/97/598514197.db2.gz OTXILLGXFJRFEA-JTQLQIEISA-N -1 3 335.477 3.810 20 0 EHADHM Fc1ccc(CSc2ccc3c(c2)CCC3)c(-c2nnn[n-]2)c1 ZINC000737649174 598644872 /nfs/dbraw/zinc/64/48/72/598644872.db2.gz MARKIAQRWRYVCW-UHFFFAOYSA-N -1 3 326.400 3.787 20 0 EHADHM Fc1ccc(CSc2ccc3c(c2)CCC3)c(-c2nn[n-]n2)c1 ZINC000737649174 598644874 /nfs/dbraw/zinc/64/48/74/598644874.db2.gz MARKIAQRWRYVCW-UHFFFAOYSA-N -1 3 326.400 3.787 20 0 EHADHM Fc1ccc2c(c1)CC[C@@H]2Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737663883 598658063 /nfs/dbraw/zinc/65/80/63/598658063.db2.gz AFQNCWJNUCHZDW-HNNXBMFYSA-N -1 3 329.766 3.759 20 0 EHADHM Fc1ccc2c(c1)CC[C@@H]2Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737663883 598658065 /nfs/dbraw/zinc/65/80/65/598658065.db2.gz AFQNCWJNUCHZDW-HNNXBMFYSA-N -1 3 329.766 3.759 20 0 EHADHM Fc1cccc(N2CC[C@@H](c3ccc(Cl)cc3)C2)c1-c1nnn[n-]1 ZINC000737660046 598680316 /nfs/dbraw/zinc/68/03/16/598680316.db2.gz IEGWZMMYXUHNQK-GFCCVEGCSA-N -1 3 343.793 3.653 20 0 EHADHM Fc1cccc(N2CC[C@@H](c3ccc(Cl)cc3)C2)c1-c1nn[n-]n1 ZINC000737660046 598680317 /nfs/dbraw/zinc/68/03/17/598680317.db2.gz IEGWZMMYXUHNQK-GFCCVEGCSA-N -1 3 343.793 3.653 20 0 EHADHM CC(C)(C)CN(Cc1ccccc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735619053 598746320 /nfs/dbraw/zinc/74/63/20/598746320.db2.gz RPNJRQLQFFBUIG-UHFFFAOYSA-N -1 3 349.438 3.555 20 0 EHADHM CC(C)(C)CN(Cc1ccccc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735619053 598746321 /nfs/dbraw/zinc/74/63/21/598746321.db2.gz RPNJRQLQFFBUIG-UHFFFAOYSA-N -1 3 349.438 3.555 20 0 EHADHM CC(C)Sc1ccc([C@@H](C)Nc2ncccc2-c2nnn[n-]2)cc1 ZINC000735921094 598755455 /nfs/dbraw/zinc/75/54/55/598755455.db2.gz JCNSSOIETACEDV-GFCCVEGCSA-N -1 3 340.456 3.935 20 0 EHADHM CC(C)Sc1ccc([C@@H](C)Nc2ncccc2-c2nn[n-]n2)cc1 ZINC000735921094 598755456 /nfs/dbraw/zinc/75/54/56/598755456.db2.gz JCNSSOIETACEDV-GFCCVEGCSA-N -1 3 340.456 3.935 20 0 EHADHM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737415348 598764835 /nfs/dbraw/zinc/76/48/35/598764835.db2.gz NXLIHLQDAAIIDI-SFHVURJKSA-N -1 3 349.438 3.644 20 0 EHADHM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737415348 598764836 /nfs/dbraw/zinc/76/48/36/598764836.db2.gz NXLIHLQDAAIIDI-SFHVURJKSA-N -1 3 349.438 3.644 20 0 EHADHM Fc1cccc(Nc2cccc(Oc3ccncc3)c2)c1-c1nnn[n-]1 ZINC000737664807 598789221 /nfs/dbraw/zinc/78/92/21/598789221.db2.gz ONJKWDUCIRSWNS-UHFFFAOYSA-N -1 3 348.341 3.937 20 0 EHADHM Fc1cccc(Nc2cccc(Oc3ccncc3)c2)c1-c1nn[n-]n1 ZINC000737664807 598789222 /nfs/dbraw/zinc/78/92/22/598789222.db2.gz ONJKWDUCIRSWNS-UHFFFAOYSA-N -1 3 348.341 3.937 20 0 EHADHM CCC[C@H](CC1CCCCC1)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736422736 598822290 /nfs/dbraw/zinc/82/22/90/598822290.db2.gz OSKCYIBTTRWGJD-CQSZACIVSA-N -1 3 342.447 3.587 20 0 EHADHM CCC[C@H](CC1CCCCC1)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736422736 598822291 /nfs/dbraw/zinc/82/22/91/598822291.db2.gz OSKCYIBTTRWGJD-CQSZACIVSA-N -1 3 342.447 3.587 20 0 EHADHM COc1ccc(Cl)cc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737099443 599324417 /nfs/dbraw/zinc/32/44/17/599324417.db2.gz LUXHGPRQLIASLL-SNVBAGLBSA-N -1 3 329.791 3.702 20 0 EHADHM COc1ccc(Cl)cc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737099443 599324420 /nfs/dbraw/zinc/32/44/20/599324420.db2.gz LUXHGPRQLIASLL-SNVBAGLBSA-N -1 3 329.791 3.702 20 0 EHADHM COc1ccccc1[C@@H](C)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737142298 599395873 /nfs/dbraw/zinc/39/58/73/599395873.db2.gz MQUAWXZTLREZLG-GFCCVEGCSA-N -1 3 346.394 3.597 20 0 EHADHM COc1ccccc1[C@@H](C)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737142298 599395876 /nfs/dbraw/zinc/39/58/76/599395876.db2.gz MQUAWXZTLREZLG-GFCCVEGCSA-N -1 3 346.394 3.597 20 0 EHADHM Fc1ccc2c(c1)CC[C@@H]2Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737666481 599417823 /nfs/dbraw/zinc/41/78/23/599417823.db2.gz LUFMGJNVWFDFKH-AWEZNQCLSA-N -1 3 329.766 3.759 20 0 EHADHM Fc1ccc2c(c1)CC[C@@H]2Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737666481 599417820 /nfs/dbraw/zinc/41/78/20/599417820.db2.gz LUFMGJNVWFDFKH-AWEZNQCLSA-N -1 3 329.766 3.759 20 0 EHADHM CCCCc1noc([C@@H](C)SCc2ccccc2-c2nnn[n-]2)n1 ZINC000736466493 599450996 /nfs/dbraw/zinc/45/09/96/599450996.db2.gz LDLCXNGECNXVEW-LLVKDONJSA-N -1 3 344.444 3.587 20 0 EHADHM CCCCc1noc([C@@H](C)SCc2ccccc2-c2nn[n-]n2)n1 ZINC000736466493 599450998 /nfs/dbraw/zinc/45/09/98/599450998.db2.gz LDLCXNGECNXVEW-LLVKDONJSA-N -1 3 344.444 3.587 20 0 EHADHM Fc1ccc(NCCNc2cccc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000822779706 599466505 /nfs/dbraw/zinc/46/65/05/599466505.db2.gz ZPAKHKKSLBCDQI-UHFFFAOYSA-N -1 3 348.385 3.683 20 0 EHADHM Fc1ccc(NCCNc2cccc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000822779706 599466508 /nfs/dbraw/zinc/46/65/08/599466508.db2.gz ZPAKHKKSLBCDQI-UHFFFAOYSA-N -1 3 348.385 3.683 20 0 EHADHM CCOc1ccc([C@@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821417796 599467102 /nfs/dbraw/zinc/46/71/02/599467102.db2.gz RYSJAXBWLAVHGJ-LLVKDONJSA-N -1 3 327.363 3.578 20 0 EHADHM CCOc1ccc([C@@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821417796 599467104 /nfs/dbraw/zinc/46/71/04/599467104.db2.gz RYSJAXBWLAVHGJ-LLVKDONJSA-N -1 3 327.363 3.578 20 0 EHADHM CCN(CC)[C@H](CNc1nc(Cl)c(C(=O)[O-])s1)c1ccco1 ZINC000737086335 600202877 /nfs/dbraw/zinc/20/28/77/600202877.db2.gz WCBTUAHUAAFKNJ-SECBINFHSA-N -1 3 343.836 3.583 20 0 EHADHM CC[C@H](C)C(=O)Nc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000736869418 600424553 /nfs/dbraw/zinc/42/45/53/600424553.db2.gz FDZGSTLFSPGEAS-KBXCAEBGSA-N -1 3 340.423 3.587 20 0 EHADHM COCc1cc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)ccc1F ZINC000737828868 600435478 /nfs/dbraw/zinc/43/54/78/600435478.db2.gz AVNOLHLWPTWSBV-INIZCTEOSA-N -1 3 337.778 3.541 20 0 EHADHM c1nc(CNc2cccc(-c3nnn[n-]3)c2)sc1-c1ccccc1 ZINC000823767820 607468893 /nfs/dbraw/zinc/46/88/93/607468893.db2.gz YBBQBDMHJRXXBY-UHFFFAOYSA-N -1 3 334.408 3.602 20 0 EHADHM c1nc(CNc2cccc(-c3nn[n-]n3)c2)sc1-c1ccccc1 ZINC000823767820 607468894 /nfs/dbraw/zinc/46/88/94/607468894.db2.gz YBBQBDMHJRXXBY-UHFFFAOYSA-N -1 3 334.408 3.602 20 0 EHADHM CSc1ccc([C@@H](C)NCc2cccc(OCC(=O)[O-])c2)cc1 ZINC000832774222 600864575 /nfs/dbraw/zinc/86/45/75/600864575.db2.gz HDKOFTKHTPOZTK-CYBMUJFWSA-N -1 3 331.437 3.723 20 0 EHADHM O=C([O-])[C@@H](c1ccccc1F)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000578995754 601010822 /nfs/dbraw/zinc/01/08/22/601010822.db2.gz SROZAGSPDQYUDM-GOSISDBHSA-N -1 3 347.361 3.634 20 0 EHADHM COc1ccc([C@@H](NC/C=C(/C)C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000832252545 601167215 /nfs/dbraw/zinc/16/72/15/601167215.db2.gz PNNALFQEQZLLTO-LVWOJMJRSA-N -1 3 329.371 3.544 20 0 EHADHM O=C([O-])c1ccc(CN2CCC[C@@H]2CC(=O)c2cccs2)cc1 ZINC000833313444 601200913 /nfs/dbraw/zinc/20/09/13/601200913.db2.gz UQZCGUQOSFMSPU-OAHLLOKOSA-N -1 3 329.421 3.684 20 0 EHADHM COc1ccc([C@H]2CCCN2Cc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000577074691 601613573 /nfs/dbraw/zinc/61/35/73/601613573.db2.gz JICYTVASUKODRB-GOSISDBHSA-N -1 3 329.371 3.870 20 0 EHADHM C[C@H](c1nc2ccccc2s1)N(C)CC1CCN(C(=O)[O-])CC1 ZINC000739062443 602256610 /nfs/dbraw/zinc/25/66/10/602256610.db2.gz GALKKBMKADSDAR-GFCCVEGCSA-N -1 3 333.457 3.679 20 0 EHADHM Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000830230357 604082139 /nfs/dbraw/zinc/08/21/39/604082139.db2.gz GHLXBRVAUBWZOZ-UHFFFAOYSA-N -1 3 341.411 3.707 20 0 EHADHM CC[C@@H](c1ccccc1)N(CC)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825159210 607674801 /nfs/dbraw/zinc/67/48/01/607674801.db2.gz LEVOTAUTSWUDQF-SFHVURJKSA-N -1 3 349.438 3.789 20 0 EHADHM CC[C@@H](c1ccccc1)N(CC)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825159210 607674802 /nfs/dbraw/zinc/67/48/02/607674802.db2.gz LEVOTAUTSWUDQF-SFHVURJKSA-N -1 3 349.438 3.789 20 0 EHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCC[C@@H]1CCC(C)C ZINC000826245443 607707030 /nfs/dbraw/zinc/70/70/30/607707030.db2.gz YEWYDRFYMDKWMJ-MRXNPFEDSA-N -1 3 341.459 3.606 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCC[C@@H]1CCC(C)C ZINC000826245443 607707032 /nfs/dbraw/zinc/70/70/32/607707032.db2.gz YEWYDRFYMDKWMJ-MRXNPFEDSA-N -1 3 341.459 3.606 20 0 EHADHM C[C@@]1(NCc2nc(-c3ccc(Cl)cc3)no2)CCCC[C@H]1C(=O)[O-] ZINC000833570904 604819244 /nfs/dbraw/zinc/81/92/44/604819244.db2.gz VIQFUTQAYUXSQW-SUMWQHHRSA-N -1 3 349.818 3.513 20 0 EHADHM CC1(C)Cc2occc2[C@@H](NCc2cccc(OCC(=O)[O-])c2)C1 ZINC000833562234 605002337 /nfs/dbraw/zinc/00/23/37/605002337.db2.gz OMKJQHWRCMCVEZ-INIZCTEOSA-N -1 3 329.396 3.546 20 0 EHADHM C[C@]1(NCc2c(F)c(F)c(F)c(F)c2F)CCCC[C@@H]1C(=O)[O-] ZINC000833573456 605066016 /nfs/dbraw/zinc/06/60/16/605066016.db2.gz XMRSRNQTNGRZFN-GLEZIHRCSA-N -1 3 337.288 3.505 20 0 EHADHM COc1ccc([C@H](C)NCc2ccc([C@H](C)NC(=O)[O-])cc2)cc1 ZINC000829302864 605119712 /nfs/dbraw/zinc/11/97/12/605119712.db2.gz KYHATORCXJJHIJ-KBPBESRZSA-N -1 3 328.412 3.875 20 0 EHADHM O=C([O-])N[C@@H]1C[C@H](N[C@@H]2CCc3ccc(F)cc32)c2ccccc21 ZINC000834156995 605801552 /nfs/dbraw/zinc/80/15/52/605801552.db2.gz DZRPMBGRRYYXHW-FGTMMUONSA-N -1 3 326.371 3.856 20 0 EHADHM O=C([O-])N1CC(CN[C@H](c2ccccc2)c2ccc3ccccc3n2)C1 ZINC000834065771 605880376 /nfs/dbraw/zinc/88/03/76/605880376.db2.gz AIKNIZCTKGZQAL-HXUWFJFHSA-N -1 3 347.418 3.524 20 0 EHADHM COc1ccc(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)cc1 ZINC000821821522 606174404 /nfs/dbraw/zinc/17/44/04/606174404.db2.gz JHRJOHLJPZVQEK-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM COc1ccc(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)cc1 ZINC000821821522 606174405 /nfs/dbraw/zinc/17/44/05/606174405.db2.gz JHRJOHLJPZVQEK-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM CCCCc1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821077963 606273104 /nfs/dbraw/zinc/27/31/04/606273104.db2.gz YOBIXYKGSQQQRP-UHFFFAOYSA-N -1 3 339.374 3.601 20 0 EHADHM CCCCc1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821077963 606273106 /nfs/dbraw/zinc/27/31/06/606273106.db2.gz YOBIXYKGSQQQRP-UHFFFAOYSA-N -1 3 339.374 3.601 20 0 EHADHM C[C@@H](OC(=O)c1sccc1C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820518961 606356548 /nfs/dbraw/zinc/35/65/48/606356548.db2.gz OERQVFDNCZVHOY-SNVBAGLBSA-N -1 3 340.408 3.724 20 0 EHADHM C[C@@H](OC(=O)c1sccc1C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820518961 606356550 /nfs/dbraw/zinc/35/65/50/606356550.db2.gz OERQVFDNCZVHOY-SNVBAGLBSA-N -1 3 340.408 3.724 20 0 EHADHM COc1ccc([C@H](C)Nc2ccc(Cl)cc2-c2nnn[n-]2)cc1F ZINC000821778340 606423001 /nfs/dbraw/zinc/42/30/01/606423001.db2.gz YPYZAKLVAUYUSR-VIFPVBQESA-N -1 3 347.781 3.841 20 0 EHADHM COc1ccc([C@H](C)Nc2ccc(Cl)cc2-c2nn[n-]n2)cc1F ZINC000821778340 606423003 /nfs/dbraw/zinc/42/30/03/606423003.db2.gz YPYZAKLVAUYUSR-VIFPVBQESA-N -1 3 347.781 3.841 20 0 EHADHM Fc1ccc(C(F)(F)F)cc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000822767118 606457483 /nfs/dbraw/zinc/45/74/83/606457483.db2.gz XHUJOGVIDHSHTL-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Fc1ccc(C(F)(F)F)cc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000822767118 606457484 /nfs/dbraw/zinc/45/74/84/606457484.db2.gz XHUJOGVIDHSHTL-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Cc1ccc(NCc2ccccc2-c2nnn[n-]2)c(Br)c1 ZINC000822259032 606660795 /nfs/dbraw/zinc/66/07/95/606660795.db2.gz KDOGTGALIXFVDD-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM Cc1ccc(NCc2ccccc2-c2nn[n-]n2)c(Br)c1 ZINC000822259032 606660796 /nfs/dbraw/zinc/66/07/96/606660796.db2.gz KDOGTGALIXFVDD-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM c1cn(C2CCCC2)nc1CSCc1ccccc1-c1nnn[n-]1 ZINC000823772755 606841785 /nfs/dbraw/zinc/84/17/85/606841785.db2.gz NDRSQXDPVFDSQI-UHFFFAOYSA-N -1 3 340.456 3.612 20 0 EHADHM c1cn(C2CCCC2)nc1CSCc1ccccc1-c1nn[n-]n1 ZINC000823772755 606841786 /nfs/dbraw/zinc/84/17/86/606841786.db2.gz NDRSQXDPVFDSQI-UHFFFAOYSA-N -1 3 340.456 3.612 20 0 EHADHM C[C@H](OC(=O)c1cccc(Cl)c1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820512089 606920429 /nfs/dbraw/zinc/92/04/29/606920429.db2.gz GPAZYAUEIVIFSG-VIFPVBQESA-N -1 3 346.749 3.577 20 0 EHADHM C[C@H](OC(=O)c1cccc(Cl)c1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820512089 606920431 /nfs/dbraw/zinc/92/04/31/606920431.db2.gz GPAZYAUEIVIFSG-VIFPVBQESA-N -1 3 346.749 3.577 20 0 EHADHM COc1cc(CSc2cccc(-c3nnn[n-]3)c2)ccc1SC ZINC000821717203 607014045 /nfs/dbraw/zinc/01/40/45/607014045.db2.gz KTUDMCPVSKORPI-UHFFFAOYSA-N -1 3 344.465 3.890 20 0 EHADHM COc1cc(CSc2cccc(-c3nn[n-]n3)c2)ccc1SC ZINC000821717203 607014047 /nfs/dbraw/zinc/01/40/47/607014047.db2.gz KTUDMCPVSKORPI-UHFFFAOYSA-N -1 3 344.465 3.890 20 0 EHADHM C[C@H](SCc1nnc(C(C)(C)C)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820548741 607034358 /nfs/dbraw/zinc/03/43/58/607034358.db2.gz GJQYSXDGAHRTJF-JTQLQIEISA-N -1 3 344.444 3.542 20 0 EHADHM C[C@H](SCc1nnc(C(C)(C)C)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820548741 607034360 /nfs/dbraw/zinc/03/43/60/607034360.db2.gz GJQYSXDGAHRTJF-JTQLQIEISA-N -1 3 344.444 3.542 20 0 EHADHM Fc1cc(-c2nnn[n-]2)ccc1OCc1csc(C2CCCC2)n1 ZINC000822748342 607136380 /nfs/dbraw/zinc/13/63/80/607136380.db2.gz UYXXJEDTVSAZTO-UHFFFAOYSA-N -1 3 345.403 3.699 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1OCc1csc(C2CCCC2)n1 ZINC000822748342 607136381 /nfs/dbraw/zinc/13/63/81/607136381.db2.gz UYXXJEDTVSAZTO-UHFFFAOYSA-N -1 3 345.403 3.699 20 0 EHADHM C[C@H](NC(=O)c1ccc2sccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820397767 607151937 /nfs/dbraw/zinc/15/19/37/607151937.db2.gz SQRZHBBAXCJNTE-NSHDSACASA-N -1 3 349.419 3.572 20 0 EHADHM C[C@H](NC(=O)c1ccc2sccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820397767 607151938 /nfs/dbraw/zinc/15/19/38/607151938.db2.gz SQRZHBBAXCJNTE-NSHDSACASA-N -1 3 349.419 3.572 20 0 EHADHM C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820697744 607194633 /nfs/dbraw/zinc/19/46/33/607194633.db2.gz LIFIHIIUZJQCHL-GHMZBOCLSA-N -1 3 348.838 3.563 20 0 EHADHM C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820697744 607194634 /nfs/dbraw/zinc/19/46/34/607194634.db2.gz LIFIHIIUZJQCHL-GHMZBOCLSA-N -1 3 348.838 3.563 20 0 EHADHM CCN(C(=O)CC/C=C/c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371576 607797412 /nfs/dbraw/zinc/79/74/12/607797412.db2.gz ITCTYGMDCYLEPK-UXBLZVDNSA-N -1 3 347.422 3.713 20 0 EHADHM CCN(C(=O)CC/C=C/c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371576 607797413 /nfs/dbraw/zinc/79/74/13/607797413.db2.gz ITCTYGMDCYLEPK-UXBLZVDNSA-N -1 3 347.422 3.713 20 0 EHADHM C[C@H](NC(=O)C[C@H]1CCCC(C)(C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824478280 607881057 /nfs/dbraw/zinc/88/10/57/607881057.db2.gz GHFILKBKRIEUFG-UONOGXRCSA-N -1 3 341.459 3.650 20 0 EHADHM C[C@H](NC(=O)C[C@H]1CCCC(C)(C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824478280 607881058 /nfs/dbraw/zinc/88/10/58/607881058.db2.gz GHFILKBKRIEUFG-UONOGXRCSA-N -1 3 341.459 3.650 20 0 EHADHM CN(C(=O)C[C@@H]1CCCC(C)(C)C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000825812261 607926175 /nfs/dbraw/zinc/92/61/75/607926175.db2.gz JLWAQKWSDGPTGI-LBPRGKRZSA-N -1 3 345.422 3.575 20 0 EHADHM CN(C(=O)C[C@@H]1CCCC(C)(C)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000825812261 607926176 /nfs/dbraw/zinc/92/61/76/607926176.db2.gz JLWAQKWSDGPTGI-LBPRGKRZSA-N -1 3 345.422 3.575 20 0 EHADHM CC1(C)CCCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000824803762 608030238 /nfs/dbraw/zinc/03/02/38/608030238.db2.gz WXNWHQUUFLSUNB-UHFFFAOYSA-N -1 3 347.422 3.585 20 0 EHADHM CC1(C)CCCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000824803762 608030239 /nfs/dbraw/zinc/03/02/39/608030239.db2.gz WXNWHQUUFLSUNB-UHFFFAOYSA-N -1 3 347.422 3.585 20 0 EHADHM CC1(C)CCCN(C(=O)c2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000824803718 608030319 /nfs/dbraw/zinc/03/03/19/608030319.db2.gz WKYDPVYIQYXGGJ-UHFFFAOYSA-N -1 3 347.422 3.585 20 0 EHADHM CC1(C)CCCN(C(=O)c2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000824803718 608030320 /nfs/dbraw/zinc/03/03/20/608030320.db2.gz WKYDPVYIQYXGGJ-UHFFFAOYSA-N -1 3 347.422 3.585 20 0 EHADHM CC(C)c1cc(NCc2ccc(-c3nnn[n-]3)cc2)nc(C(C)C)n1 ZINC000824347868 608047975 /nfs/dbraw/zinc/04/79/75/608047975.db2.gz PZJJHFURAAACQX-UHFFFAOYSA-N -1 3 337.431 3.516 20 0 EHADHM CC(C)c1cc(NCc2ccc(-c3nn[n-]n3)cc2)nc(C(C)C)n1 ZINC000824347868 608047976 /nfs/dbraw/zinc/04/79/76/608047976.db2.gz PZJJHFURAAACQX-UHFFFAOYSA-N -1 3 337.431 3.516 20 0 EHADHM Cc1nnc([C@@H](C)Sc2ccc(-c3nnn[n-]3)cc2Cl)s1 ZINC000826335647 608144170 /nfs/dbraw/zinc/14/41/70/608144170.db2.gz WBEYEHOSGNYJPG-ZCFIWIBFSA-N -1 3 338.849 3.533 20 0 EHADHM Cc1nnc([C@@H](C)Sc2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000826335647 608144171 /nfs/dbraw/zinc/14/41/71/608144171.db2.gz WBEYEHOSGNYJPG-ZCFIWIBFSA-N -1 3 338.849 3.533 20 0 EHADHM C[C@@H](OC(=O)C1(c2ccccc2)CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824714443 608181808 /nfs/dbraw/zinc/18/18/08/608181808.db2.gz MYCFEVVIZPFHKB-CQSZACIVSA-N -1 3 348.406 3.593 20 0 EHADHM C[C@@H](OC(=O)C1(c2ccccc2)CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824714443 608181809 /nfs/dbraw/zinc/18/18/09/608181809.db2.gz MYCFEVVIZPFHKB-CQSZACIVSA-N -1 3 348.406 3.593 20 0 EHADHM C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)c1nc(C2CC2)no1 ZINC000824757589 608206989 /nfs/dbraw/zinc/20/69/89/608206989.db2.gz YBNDTZNOTYRKQM-ZETCQYMHSA-N -1 3 348.819 3.634 20 0 EHADHM C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)c1nc(C2CC2)no1 ZINC000824757589 608206990 /nfs/dbraw/zinc/20/69/90/608206990.db2.gz YBNDTZNOTYRKQM-ZETCQYMHSA-N -1 3 348.819 3.634 20 0 EHADHM CC[C@H](NCc1cc(-c2nn[n-]n2)ccc1F)c1cc(F)ccc1F ZINC000825140538 608284189 /nfs/dbraw/zinc/28/41/89/608284189.db2.gz KOJFEDLBEXHFDE-INIZCTEOSA-N -1 3 347.344 3.525 20 0 EHADHM CCSc1ccccc1OCc1ccc(-c2nnn[n-]2)cc1OC ZINC000825674553 608324951 /nfs/dbraw/zinc/32/49/51/608324951.db2.gz NSHZFJZYCPPYBQ-UHFFFAOYSA-N -1 3 342.424 3.566 20 0 EHADHM CCSc1ccccc1OCc1ccc(-c2nn[n-]n2)cc1OC ZINC000825674553 608324953 /nfs/dbraw/zinc/32/49/53/608324953.db2.gz NSHZFJZYCPPYBQ-UHFFFAOYSA-N -1 3 342.424 3.566 20 0 EHADHM CCN(C(=O)c1cscc1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825391204 608347305 /nfs/dbraw/zinc/34/73/05/608347305.db2.gz WMRZQJCELJYVIW-UHFFFAOYSA-N -1 3 347.831 3.557 20 0 EHADHM CCN(C(=O)c1cscc1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825391204 608347307 /nfs/dbraw/zinc/34/73/07/608347307.db2.gz WMRZQJCELJYVIW-UHFFFAOYSA-N -1 3 347.831 3.557 20 0 EHADHM C[C@@H](N[C@H](C)c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824532231 609132826 /nfs/dbraw/zinc/13/28/26/609132826.db2.gz SUINGRAIMKVLGP-NXEZZACHSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@@H](N[C@H](C)c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824532231 609132827 /nfs/dbraw/zinc/13/28/27/609132827.db2.gz SUINGRAIMKVLGP-NXEZZACHSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@H](NCc1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824606578 609138438 /nfs/dbraw/zinc/13/84/38/609138438.db2.gz QGMALTHKSUQKGO-VIFPVBQESA-N -1 3 349.772 3.649 20 0 EHADHM C[C@H](NCc1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824606578 609138439 /nfs/dbraw/zinc/13/84/39/609138439.db2.gz QGMALTHKSUQKGO-VIFPVBQESA-N -1 3 349.772 3.649 20 0 EHADHM C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2F)[C@@H](c2ccco2)C1 ZINC000824963186 609164564 /nfs/dbraw/zinc/16/45/64/609164564.db2.gz ZNQBIVURZHYGJS-IAQYHMDHSA-N -1 3 327.363 3.576 20 0 EHADHM CCOc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000825653652 609164731 /nfs/dbraw/zinc/16/47/31/609164731.db2.gz HGOFUFRASMGEFA-LLVKDONJSA-N -1 3 327.363 3.578 20 0 EHADHM CCOc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000825653652 609164733 /nfs/dbraw/zinc/16/47/33/609164733.db2.gz HGOFUFRASMGEFA-LLVKDONJSA-N -1 3 327.363 3.578 20 0 EHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1cccc(F)c1Cl ZINC000825480661 609178616 /nfs/dbraw/zinc/17/86/16/609178616.db2.gz FPHRKEVGYZCZKL-UHFFFAOYSA-N -1 3 346.797 3.703 20 0 EHADHM C[C@H](Nc1ccc2c(c1)OC(C)(C)O2)c1ccc(-c2nnn[n-]2)cc1 ZINC000824655334 609274379 /nfs/dbraw/zinc/27/43/79/609274379.db2.gz CFYDRLCOTXPBEC-NSHDSACASA-N -1 3 337.383 3.547 20 0 EHADHM C[C@H](Nc1ccc2c(c1)OC(C)(C)O2)c1ccc(-c2nn[n-]n2)cc1 ZINC000824655334 609274381 /nfs/dbraw/zinc/27/43/81/609274381.db2.gz CFYDRLCOTXPBEC-NSHDSACASA-N -1 3 337.383 3.547 20 0 EHADHM Cc1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c2cccnc12 ZINC000826291735 609274499 /nfs/dbraw/zinc/27/44/99/609274499.db2.gz TZIUZFRWJPDEFG-ZDUSSCGKSA-N -1 3 330.395 3.896 20 0 EHADHM Cc1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c2cccnc12 ZINC000826291735 609274500 /nfs/dbraw/zinc/27/45/00/609274500.db2.gz TZIUZFRWJPDEFG-ZDUSSCGKSA-N -1 3 330.395 3.896 20 0 EHADHM CSCc1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826229250 609278564 /nfs/dbraw/zinc/27/85/64/609278564.db2.gz WJQRLPXYWKSDKL-LBPRGKRZSA-N -1 3 325.441 3.903 20 0 EHADHM CSCc1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826229250 609278566 /nfs/dbraw/zinc/27/85/66/609278566.db2.gz WJQRLPXYWKSDKL-LBPRGKRZSA-N -1 3 325.441 3.903 20 0 EHADHM Cc1nnc(SCc2ccc3ccccc3c2)c(-c2nnn[n-]2)c1C ZINC000826337365 609308576 /nfs/dbraw/zinc/30/85/76/609308576.db2.gz MAYXYZBUNBOBBZ-UHFFFAOYSA-N -1 3 348.435 3.719 20 0 EHADHM Cc1nnc(SCc2ccc3ccccc3c2)c(-c2nn[n-]n2)c1C ZINC000826337365 609308578 /nfs/dbraw/zinc/30/85/78/609308578.db2.gz MAYXYZBUNBOBBZ-UHFFFAOYSA-N -1 3 348.435 3.719 20 0 EHADHM c1cncc(Oc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)c1 ZINC000826525838 609330166 /nfs/dbraw/zinc/33/01/66/609330166.db2.gz AWTBOFVUQPEVHR-UHFFFAOYSA-N -1 3 345.362 3.633 20 0 EHADHM c1cncc(Oc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)c1 ZINC000826525838 609330168 /nfs/dbraw/zinc/33/01/68/609330168.db2.gz AWTBOFVUQPEVHR-UHFFFAOYSA-N -1 3 345.362 3.633 20 0 EHADHM C[C@@H](N[C@H](C)c1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1F ZINC000824531037 609342063 /nfs/dbraw/zinc/34/20/63/609342063.db2.gz OEHNOHLSMZBEGS-NXEZZACHSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1F ZINC000824531037 609342064 /nfs/dbraw/zinc/34/20/64/609342064.db2.gz OEHNOHLSMZBEGS-NXEZZACHSA-N -1 3 347.344 3.696 20 0 EHADHM Cc1ccnc(N2CCC[C@@H]2c2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC000826310928 609529598 /nfs/dbraw/zinc/52/95/98/609529598.db2.gz NWLIXTCOJQLNDN-CQSZACIVSA-N -1 3 340.818 3.565 20 0 EHADHM Cc1ccnc(N2CCC[C@@H]2c2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000826310928 609529600 /nfs/dbraw/zinc/52/96/00/609529600.db2.gz NWLIXTCOJQLNDN-CQSZACIVSA-N -1 3 340.818 3.565 20 0 EHADHM Cc1ccnc(N[C@@H](CC(C)C)c2cccs2)c1-c1nnn[n-]1 ZINC000826311933 609571773 /nfs/dbraw/zinc/57/17/73/609571773.db2.gz QXFYSICXIPMGLF-LBPRGKRZSA-N -1 3 328.445 3.831 20 0 EHADHM Cc1ccnc(N[C@@H](CC(C)C)c2cccs2)c1-c1nn[n-]n1 ZINC000826311933 609571775 /nfs/dbraw/zinc/57/17/75/609571775.db2.gz QXFYSICXIPMGLF-LBPRGKRZSA-N -1 3 328.445 3.831 20 0 EHADHM C[C@H]1CC(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)C[C@H](C)C1 ZINC000824874873 609592638 /nfs/dbraw/zinc/59/26/38/609592638.db2.gz HAVJZDNOZRHGAQ-GHMZBOCLSA-N -1 3 347.850 3.555 20 0 EHADHM C[C@H]1CC(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)C[C@H](C)C1 ZINC000824874873 609592639 /nfs/dbraw/zinc/59/26/39/609592639.db2.gz HAVJZDNOZRHGAQ-GHMZBOCLSA-N -1 3 347.850 3.555 20 0 EHADHM Cc1ccc(CN(C)C(F)(F)c2cc(Cl)nc(=S)[n-]2)cc1 ZINC001165018391 721836203 /nfs/dbraw/zinc/83/62/03/721836203.db2.gz YRPVHZMXBQGHCB-UHFFFAOYSA-N -1 3 329.803 3.908 20 0 EHADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)c1ccc2ccccc2c1 ZINC000819876887 945304045 /nfs/dbraw/zinc/30/40/45/945304045.db2.gz JRCMKEHSJDCIRQ-CYBMUJFWSA-N -1 3 343.390 3.762 20 0 EHADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)c1ccc2ccccc2c1 ZINC000819876887 945304054 /nfs/dbraw/zinc/30/40/54/945304054.db2.gz JRCMKEHSJDCIRQ-CYBMUJFWSA-N -1 3 343.390 3.762 20 0 EHADHM C[C@H](C(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1)C1CC1 ZINC000819877150 945304509 /nfs/dbraw/zinc/30/45/09/945304509.db2.gz PRXHEFYJLCVKKN-JTQLQIEISA-N -1 3 339.424 3.580 20 0 EHADHM C[C@H](C(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1)C1CC1 ZINC000819877150 945304518 /nfs/dbraw/zinc/30/45/18/945304518.db2.gz PRXHEFYJLCVKKN-JTQLQIEISA-N -1 3 339.424 3.580 20 0 EHADHM COc1ccccc1C[C@H](C)N(C)Cc1cc(C(=O)[O-])ccc1F ZINC000324900436 971167622 /nfs/dbraw/zinc/16/76/22/971167622.db2.gz NSNHIROPRASSBT-ZDUSSCGKSA-N -1 3 331.387 3.596 20 0 EHADHM COc1ccc(C(C)(C)C)cc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000821772733 945857940 /nfs/dbraw/zinc/85/79/40/945857940.db2.gz NLEZKTGZSRIKHQ-UHFFFAOYSA-N -1 3 337.427 3.785 20 0 EHADHM COc1ccc(C(C)(C)C)cc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000821772733 945857953 /nfs/dbraw/zinc/85/79/53/945857953.db2.gz NLEZKTGZSRIKHQ-UHFFFAOYSA-N -1 3 337.427 3.785 20 0 EHADHM CC(C)=CC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824177660 946611181 /nfs/dbraw/zinc/61/11/81/946611181.db2.gz ICCIRBWQJULKOJ-AWEZNQCLSA-N -1 3 347.422 3.677 20 0 EHADHM CC(C)=CC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824177660 946611189 /nfs/dbraw/zinc/61/11/89/946611189.db2.gz ICCIRBWQJULKOJ-AWEZNQCLSA-N -1 3 347.422 3.677 20 0 EHADHM Brc1ccc(-c2nnn[n-]2)c(NCC2(C3CC3)CCC2)c1 ZINC001573281088 946672305 /nfs/dbraw/zinc/67/23/05/946672305.db2.gz YRIWOSBQNAKFLK-UHFFFAOYSA-N -1 3 348.248 3.621 20 0 EHADHM Brc1ccc(-c2nn[n-]n2)c(NCC2(C3CC3)CCC2)c1 ZINC001573281088 946672309 /nfs/dbraw/zinc/67/23/09/946672309.db2.gz YRIWOSBQNAKFLK-UHFFFAOYSA-N -1 3 348.248 3.621 20 0 EHADHM C[C@@H](N[C@H](CC(C)(C)C)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824529101 946763224 /nfs/dbraw/zinc/76/32/24/946763224.db2.gz DUGLPEHADZGBJN-ZWNOBZJWSA-N -1 3 341.381 3.884 20 0 EHADHM C[C@@H](N[C@H](CC(C)(C)C)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824529101 946763229 /nfs/dbraw/zinc/76/32/29/946763229.db2.gz DUGLPEHADZGBJN-ZWNOBZJWSA-N -1 3 341.381 3.884 20 0 EHADHM C[C@@H](NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000824868317 946960999 /nfs/dbraw/zinc/96/09/99/946960999.db2.gz UVIJSZZWBMCXOE-IOASZLSFSA-N -1 3 341.459 3.506 20 0 EHADHM C[C@@H](NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824868317 946961008 /nfs/dbraw/zinc/96/10/08/946961008.db2.gz UVIJSZZWBMCXOE-IOASZLSFSA-N -1 3 341.459 3.506 20 0 EHADHM C/C(=C\Cl)CSCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC001573366476 947741778 /nfs/dbraw/zinc/74/17/78/947741778.db2.gz RDCLNADVFORJEW-VMPITWQZSA-N -1 3 346.790 3.844 20 0 EHADHM C/C(=C\Cl)CSCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC001573366476 947741779 /nfs/dbraw/zinc/74/17/79/947741779.db2.gz RDCLNADVFORJEW-VMPITWQZSA-N -1 3 346.790 3.844 20 0 EHADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575503895 949053907 /nfs/dbraw/zinc/05/39/07/949053907.db2.gz MXTVLKZNBPSPQQ-NWDGAFQWSA-N -1 3 342.834 3.544 20 0 EHADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575503895 949053934 /nfs/dbraw/zinc/05/39/34/949053934.db2.gz MXTVLKZNBPSPQQ-NWDGAFQWSA-N -1 3 342.834 3.544 20 0 EHADHM CC(C)[C@H]1CN(Cc2cccc(F)c2-c2nnn[n-]2)c2ccccc21 ZINC001574100733 949200334 /nfs/dbraw/zinc/20/03/34/949200334.db2.gz YZPAFOHWSBRBPJ-OAHLLOKOSA-N -1 3 337.402 3.766 20 0 EHADHM CC(C)[C@H]1CN(Cc2cccc(F)c2-c2nn[n-]n2)c2ccccc21 ZINC001574100733 949200352 /nfs/dbraw/zinc/20/03/52/949200352.db2.gz YZPAFOHWSBRBPJ-OAHLLOKOSA-N -1 3 337.402 3.766 20 0 EHADHM C[C@H]1CCCC[C@H]1CC(=O)Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001576169840 949693585 /nfs/dbraw/zinc/69/35/85/949693585.db2.gz JWADLKRHKWTOPP-QWRGUYRKSA-N -1 3 333.823 3.675 20 0 EHADHM C[C@H]1CCCC[C@H]1CC(=O)Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001576169840 949693601 /nfs/dbraw/zinc/69/36/01/949693601.db2.gz JWADLKRHKWTOPP-QWRGUYRKSA-N -1 3 333.823 3.675 20 0 EHADHM C[C@@H]1CCCC[C@H]1C(=O)N(c1ccccc1-c1nnn[n-]1)C1CCC1 ZINC001576173018 949834002 /nfs/dbraw/zinc/83/40/02/949834002.db2.gz WMJOXQDPUDSZEF-UKRRQHHQSA-N -1 3 339.443 3.579 20 0 EHADHM C[C@@H]1CCCC[C@H]1C(=O)N(c1ccccc1-c1nn[n-]n1)C1CCC1 ZINC001576173018 949834029 /nfs/dbraw/zinc/83/40/29/949834029.db2.gz WMJOXQDPUDSZEF-UKRRQHHQSA-N -1 3 339.443 3.579 20 0 EHADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)Nc1cc2ccccc2cc1-c1nnn[n-]1 ZINC001573879730 950731999 /nfs/dbraw/zinc/73/19/99/950731999.db2.gz JSDLCDYGTWNJEA-UKRRQHHQSA-N -1 3 335.411 3.641 20 0 EHADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)Nc1cc2ccccc2cc1-c1nn[n-]n1 ZINC001573879730 950732017 /nfs/dbraw/zinc/73/20/17/950732017.db2.gz JSDLCDYGTWNJEA-UKRRQHHQSA-N -1 3 335.411 3.641 20 0 EHADHM CC(C)CCCCCCNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001574195520 950994075 /nfs/dbraw/zinc/99/40/75/950994075.db2.gz QUIFPQBWUCRLOB-OUKQBFOZSA-N -1 3 341.459 3.603 20 0 EHADHM CC(C)CCCCCCNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001574195520 950994089 /nfs/dbraw/zinc/99/40/89/950994089.db2.gz QUIFPQBWUCRLOB-OUKQBFOZSA-N -1 3 341.459 3.603 20 0 EHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000382594432 971825805 /nfs/dbraw/zinc/82/58/05/971825805.db2.gz JESVREQANBYEIZ-OAHLLOKOSA-N -1 3 342.439 3.635 20 0 EHADHM O=C([O-])[C@H]1CN(Cc2ccc(OCC3CC3)cc2)Cc2ccccc21 ZINC001594951485 954954329 /nfs/dbraw/zinc/95/43/29/954954329.db2.gz JUZQAOVTLACYOV-FQEVSTJZSA-N -1 3 337.419 3.659 20 0 EHADHM COc1ccc2c(c1)[C@H](NCc1cccc(C(=O)[O-])c1)CCS2 ZINC001594113831 958540836 /nfs/dbraw/zinc/54/08/36/958540836.db2.gz MFRNKEOJJCMEGE-MRXNPFEDSA-N -1 3 329.421 3.720 20 0 EHADHM Cc1ccc(CN2CCC[C@@H](CCC(=O)[O-])C2)c(Br)c1 ZINC000161770663 959192193 /nfs/dbraw/zinc/19/21/93/959192193.db2.gz YPKFSQOTXJMYPD-ZDUSSCGKSA-N -1 3 340.261 3.834 20 0 EHADHM C[C@H](NCc1ccccc1CC(=O)[O-])c1cccc(Br)c1 ZINC000167603304 959350402 /nfs/dbraw/zinc/35/04/02/959350402.db2.gz CERPRSHZDOANCY-LBPRGKRZSA-N -1 3 348.240 3.927 20 0 EHADHM O=C([O-])c1ccccc1OCCN1CCC[C@H]1c1cccc(F)c1 ZINC000183914705 959453927 /nfs/dbraw/zinc/45/39/27/959453927.db2.gz KMRIKDFISHJIQO-KRWDZBQOSA-N -1 3 329.371 3.740 20 0 EHADHM Cc1nn(-c2ccccc2)cc1CN[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001594477252 959610859 /nfs/dbraw/zinc/61/08/59/959610859.db2.gz FFWGZRCUUJLZHA-UXHICEINSA-N -1 3 347.418 3.584 20 0 EHADHM Cc1ccc(S(=O)(=O)[N-]CC(C)(C)c2c(F)cccc2Cl)o1 ZINC000538006970 1032078476 /nfs/dbraw/zinc/07/84/76/1032078476.db2.gz NHBXUDDQCADRMP-UHFFFAOYSA-N -1 3 345.823 3.637 20 0 EHADHM CC1(C(=O)[O-])CCN(Cc2ccc(Oc3ccc(F)cc3)nc2)CC1 ZINC001603306919 972587165 /nfs/dbraw/zinc/58/71/65/972587165.db2.gz OONSPJIWGNEWGS-UHFFFAOYSA-N -1 3 344.386 3.700 20 0 EHADHM O=C([O-])c1ccc(Cl)c(CN2CCC(C3CCOCC3)CC2)c1 ZINC000564738632 974552201 /nfs/dbraw/zinc/55/22/01/974552201.db2.gz JAKNNCABLDNMAT-UHFFFAOYSA-N -1 3 337.847 3.677 20 0 EHADHM CCCC[C@H](C(=O)[O-])N1CCc2cc(Br)cc(C)c2C1 ZINC000565106290 974571590 /nfs/dbraw/zinc/57/15/90/974571590.db2.gz RQUPYNRVHIQJKT-OAHLLOKOSA-N -1 3 340.261 3.759 20 0 EHADHM CO[C@@H](CN1CCc2ccc(C(=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000565111717 974572742 /nfs/dbraw/zinc/57/27/42/974572742.db2.gz CGQVUXLELDVIKP-SFHVURJKSA-N -1 3 345.826 3.784 20 0 EHADHM C[C@@H]1CCN(Cc2cc(Cl)ccc2OCC2CC2)[C@H](C(=O)[O-])C1 ZINC000569935229 974702108 /nfs/dbraw/zinc/70/21/08/974702108.db2.gz JZJOUCMKLGZDQT-WBMJQRKESA-N -1 3 337.847 3.814 20 0 EHADHM O=C([O-])[C@]1(C(F)(F)F)CCN(CCCc2ccccc2Cl)C1 ZINC000572490057 974749135 /nfs/dbraw/zinc/74/91/35/974749135.db2.gz OXWSFHPQIAIAPI-AWEZNQCLSA-N -1 3 335.753 3.612 20 0 EHADHM CN(CCOc1ccc(C(F)(F)F)cc1)Cc1ccoc1C(=O)[O-] ZINC000582425652 974925712 /nfs/dbraw/zinc/92/57/12/974925712.db2.gz HLIQLMNOXISLEO-UHFFFAOYSA-N -1 3 343.301 3.507 20 0 EHADHM O=C([O-])[C@H](c1ccccc1Br)N1CCCC(F)(F)CC1 ZINC000629367614 975085274 /nfs/dbraw/zinc/08/52/74/975085274.db2.gz BNQRBLUJNVKHOP-LBPRGKRZSA-N -1 3 348.187 3.696 20 0 EHADHM COc1cc(C)c([C@@H](C)N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1OC ZINC000737866942 978452076 /nfs/dbraw/zinc/45/20/76/978452076.db2.gz GCHWBWGAAWGLLA-KZULUSFZSA-N -1 3 347.386 3.628 20 0 EHADHM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)cc2)cc1Cl ZINC000756332435 978698086 /nfs/dbraw/zinc/69/80/86/978698086.db2.gz IFMBPIKSRNBZIM-HNNXBMFYSA-N -1 3 340.206 3.918 20 0 EHADHM Cc1ccc2cccc(NC(=O)c3c[n-]c4ccccc4c3=O)c2n1 ZINC000067178127 1014532380 /nfs/dbraw/zinc/53/23/80/1014532380.db2.gz IMMNOKOJQKAHGQ-UHFFFAOYSA-N -1 3 329.359 3.637 20 0 EHADHM C[C@@H](CN[C@@H](C(=O)[O-])c1ccccc1Cl)Oc1cccc(F)c1 ZINC001592706746 979178407 /nfs/dbraw/zinc/17/84/07/979178407.db2.gz LMVRKCROKWZHPR-MEDUHNTESA-N -1 3 337.778 3.662 20 0 EHADHM CO[C@@H]1CN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC[C@@H]1C ZINC000859797752 979633149 /nfs/dbraw/zinc/63/31/49/979633149.db2.gz NRJNVUBWZZHGAE-SCLBCKFNSA-N -1 3 329.396 3.502 20 0 EHADHM O=C([O-])[C@@H]1CCN(Cc2cc(C(F)(F)F)co2)[C@@H]2CCCC[C@H]12 ZINC000872162779 980053660 /nfs/dbraw/zinc/05/36/60/980053660.db2.gz WADSVQHGHAXVDI-MGPQQGTHSA-N -1 3 331.334 3.764 20 0 EHADHM CC[C@@H](NCc1ccc(C(=O)[O-])c(Br)c1)c1ccncc1 ZINC001595299435 980427115 /nfs/dbraw/zinc/42/71/15/980427115.db2.gz TVEFONQYSMGUIZ-OAHLLOKOSA-N -1 3 349.228 3.783 20 0 EHADHM CC[C@@H](NCc1cc(C(=O)[O-])ccc1Cl)[C@@H](O)c1ccccc1 ZINC001595299433 980427438 /nfs/dbraw/zinc/42/74/38/980427438.db2.gz TUVLDZFIRCUXNZ-SJORKVTESA-N -1 3 333.815 3.640 20 0 EHADHM CC[C@H](OCCNCc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001595356224 980709996 /nfs/dbraw/zinc/70/99/96/980709996.db2.gz DRANTKRUKYQSAZ-SFHVURJKSA-N -1 3 331.387 3.781 20 0 EHADHM C[C@H]1CCC[C@H](CNCc2ccc(-c3ccccc3C(=O)[O-])o2)O1 ZINC000902457420 980896636 /nfs/dbraw/zinc/89/66/36/980896636.db2.gz OPNVAHFBFIKQHB-UONOGXRCSA-N -1 3 329.396 3.692 20 0 EHADHM O=C([O-])c1ccc(CN2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)cc1F ZINC000903626067 981001854 /nfs/dbraw/zinc/00/18/54/981001854.db2.gz ZOIMTWZJQMIQLP-NHYWBVRUSA-N -1 3 331.309 3.688 20 0 EHADHM CC1(C)[C@@H](c2ccc(F)c(F)c2)CCN1Cc1cncc(C(=O)[O-])c1 ZINC000903913752 981035975 /nfs/dbraw/zinc/03/59/75/981035975.db2.gz UIJRKGMFQYLMCK-OAHLLOKOSA-N -1 3 346.377 3.826 20 0 EHADHM Cc1oc(C(=O)[O-])cc1CN1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC000905773868 981148566 /nfs/dbraw/zinc/14/85/66/981148566.db2.gz IGHOIWOSKYZZHC-HXUWFJFHSA-N -1 3 339.391 3.727 20 0 EHADHM CCC[C@H](NC[C@H]1CC(C(=O)[O-])=C(C)O1)c1ccc(F)cc1F ZINC001595600370 981579702 /nfs/dbraw/zinc/57/97/02/981579702.db2.gz JOSURPFVUZVDPM-WBMJQRKESA-N -1 3 325.355 3.543 20 0 EHADHM CC[C@H](C)Oc1cc(CN[C@H](C(=O)[O-])c2ccsc2)ccc1OC ZINC000683173657 1014747702 /nfs/dbraw/zinc/74/77/02/1014747702.db2.gz NNYQEPIKLUOSRE-SJCJKPOMSA-N -1 3 349.452 3.850 20 0 EHADHM CCC[C@H]1CCCN1Cc1cc(C(=O)[O-])ccc1Br ZINC001595622387 981709475 /nfs/dbraw/zinc/70/94/75/981709475.db2.gz QLZBEDLKQFJMNG-ZDUSSCGKSA-N -1 3 326.234 3.912 20 0 EHADHM CC(C)c1ccc(C(=O)N2CC(F)(c3ccccc3F)C2)c([O-])c1 ZINC000646886046 1014865910 /nfs/dbraw/zinc/86/59/10/1014865910.db2.gz SEHGVIHQFXRFMX-UHFFFAOYSA-N -1 3 331.362 3.976 20 0 EHADHM CCCN(Cc1cc(C(=O)[O-])c(C)o1)[C@@H]1CCCc2cccnc21 ZINC001595885848 982911230 /nfs/dbraw/zinc/91/12/30/982911230.db2.gz JGXKYYFWUQMMHQ-QGZVFWFLSA-N -1 3 328.412 3.971 20 0 EHADHM COc1cc(C(=O)N(Cc2ccccc2)CC(C)C)cc(OC)c1[O-] ZINC000343736717 1032108972 /nfs/dbraw/zinc/10/89/72/1032108972.db2.gz HUGXQUKSFOMYIN-UHFFFAOYSA-N -1 3 343.423 3.708 20 0 EHADHM C[C@H](N[C@@H](C(=O)[O-])c1ccsc1)c1ccc(-n2cccn2)c(F)c1 ZINC001599901189 984829326 /nfs/dbraw/zinc/82/93/26/984829326.db2.gz YDJVFAPDSQFPMI-MEDUHNTESA-N -1 3 345.399 3.549 20 0 EHADHM CCOc1ccc(-c2nc(CNC3(CC(=O)[O-])CCCC3)co2)cc1 ZINC001597049504 986521378 /nfs/dbraw/zinc/52/13/78/986521378.db2.gz QNSRIXDPXPCEII-UHFFFAOYSA-N -1 3 344.411 3.617 20 0 EHADHM CCOc1cccc2cc([C@@H](C)NCc3c[nH]c(C(=O)[O-])c3)oc21 ZINC001597165307 986983542 /nfs/dbraw/zinc/98/35/42/986983542.db2.gz OROUJVNDACKSKQ-LLVKDONJSA-N -1 3 328.368 3.709 20 0 EHADHM CSc1ccc(CN[C@@H](C)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC001599813538 988380958 /nfs/dbraw/zinc/38/09/58/988380958.db2.gz XJTPPGBLLWWSDC-ZDUSSCGKSA-N -1 3 331.437 3.723 20 0 EHADHM COc1cc(C(=O)N2CCC[C@@H]2CC2CCCC2)cc(OC)c1[O-] ZINC000655363296 1015423460 /nfs/dbraw/zinc/42/34/60/1015423460.db2.gz FTYWNQHUBSJYTB-OAHLLOKOSA-N -1 3 333.428 3.594 20 0 EHADHM CCc1oc(CNCCOc2ccc(F)c(Cl)c2)cc1C(=O)[O-] ZINC001597805591 989414117 /nfs/dbraw/zinc/41/41/17/989414117.db2.gz JFKFLPCCFGWSGD-UHFFFAOYSA-N -1 3 341.766 3.501 20 0 EHADHM CC(C)(C)O[C@@H]1C[C@@H](N[C@H](C(=O)[O-])c2cc(F)ccc2F)C1(C)C ZINC001590379737 989892826 /nfs/dbraw/zinc/89/28/26/989892826.db2.gz ZVDRTZJWBBEUOM-KFWWJZLASA-N -1 3 341.398 3.662 20 0 EHADHM CN(CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])C1CCCC1 ZINC001598396504 991657731 /nfs/dbraw/zinc/65/77/31/991657731.db2.gz IJWIEVYGDWJWBK-UHFFFAOYSA-N -1 3 345.226 3.505 20 0 EHADHM C[C@@H](NC(=O)Nc1ccccc1C(F)F)c1nc(C(F)(F)F)n[n-]1 ZINC001625823120 1015706307 /nfs/dbraw/zinc/70/63/07/1015706307.db2.gz UZWIHGSNBRLNQD-ZCFIWIBFSA-N -1 3 349.263 3.644 20 0 EHADHM CC1(C)[C@@H](CNC(=O)Cc2ccc([O-])c(F)c2)[C@@H]1c1ccccc1 ZINC000458001872 1015713590 /nfs/dbraw/zinc/71/35/90/1015713590.db2.gz VHCMFWVWKKJIIM-KXBFYZLASA-N -1 3 327.399 3.630 20 0 EHADHM Cc1ccc(-c2noc([N-]Cc3cc(COC(C)(C)C)on3)n2)cc1 ZINC000274995097 1015721908 /nfs/dbraw/zinc/72/19/08/1015721908.db2.gz MLIKNNQBCWQLTG-UHFFFAOYSA-N -1 3 342.399 3.960 20 0 EHADHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2ccc(F)cc2Br)C1 ZINC000232751528 1015761873 /nfs/dbraw/zinc/76/18/73/1015761873.db2.gz IVJIARXJSQCIHI-HNNXBMFYSA-N -1 3 344.224 3.521 20 0 EHADHM COc1ccc2c(c1)C[C@H](C)N(Cc1ccccc1CC(=O)[O-])[C@@H]2C ZINC001599625410 994141390 /nfs/dbraw/zinc/14/13/90/994141390.db2.gz CKKSWBKIQIRHJG-LSDHHAIUSA-N -1 3 339.435 3.830 20 0 EHADHM C[C@@H](N[C@@H](C)c1ccc(C(=O)[O-])o1)c1cccc(-n2cccn2)c1 ZINC001593195791 994150271 /nfs/dbraw/zinc/15/02/71/994150271.db2.gz FPZAJLNDQOTHAL-OLZOCXBDSA-N -1 3 325.368 3.575 20 0 EHADHM C[C@@H](N[C@@H](C)c1cncc(C(=O)[O-])c1)c1ccc2c(c1)CCCO2 ZINC001593198224 994168978 /nfs/dbraw/zinc/16/89/78/994168978.db2.gz OVBUDTLDOHWAGY-OLZOCXBDSA-N -1 3 326.396 3.517 20 0 EHADHM C[C@@H](N[C@H](C)c1cncc(C(=O)[O-])c1)c1ccc2c(c1)CCCO2 ZINC001593198223 994169092 /nfs/dbraw/zinc/16/90/92/994169092.db2.gz OVBUDTLDOHWAGY-CHWSQXEVSA-N -1 3 326.396 3.517 20 0 EHADHM C[C@@H](N[C@H]1CCCN(c2ccccc2Cl)C1)c1cc(C(=O)[O-])co1 ZINC001593224395 994342461 /nfs/dbraw/zinc/34/24/61/994342461.db2.gz QKTCLKSVZJSCJA-OCCSQVGLSA-N -1 3 348.830 3.951 20 0 EHADHM C[C@H](N[C@H]1CC[C@H](c2ccc(F)cc2)C1)c1ncc(C(=O)[O-])s1 ZINC001593225464 994346090 /nfs/dbraw/zinc/34/60/90/994346090.db2.gz UOKNYUZRAKGTHO-JKOKRWQUSA-N -1 3 334.416 3.967 20 0 EHADHM CC1(C)CCC[C@@H]1N(Cc1cc(C(=O)[O-])no1)Cc1ccccc1 ZINC001593902911 996768887 /nfs/dbraw/zinc/76/88/87/996768887.db2.gz AYFVNHFWXDUFTB-KRWDZBQOSA-N -1 3 328.412 3.954 20 0 EHADHM COc1cc(CN(C)[C@@H](C(=O)[O-])c2ccc(Cl)cc2)cc(OC)c1 ZINC001599405708 997294169 /nfs/dbraw/zinc/29/41/69/997294169.db2.gz GUDKAQVJOYYGJF-QGZVFWFLSA-N -1 3 349.814 3.615 20 0 EHADHM COc1ccc([C@H](N[C@@H](C)c2cncc(C(=O)[O-])c2)C(C)C)cc1 ZINC001599529247 997620307 /nfs/dbraw/zinc/62/03/07/997620307.db2.gz WKYWXLPZWAMNBV-SCLBCKFNSA-N -1 3 328.412 3.836 20 0 EHADHM COc1ccc([C@H](NCc2ccc3c(c2)CCC3)C(=O)[O-])cc1Cl ZINC001599532904 997690257 /nfs/dbraw/zinc/69/02/57/997690257.db2.gz WXHKVTRGPNHOHQ-SFHVURJKSA-N -1 3 345.826 3.753 20 0 EHADHM CC1=C(C(=O)[O-])C[C@H](CN[C@H](C)c2cccc(Cl)c2Cl)O1 ZINC001594103602 998139672 /nfs/dbraw/zinc/13/96/72/998139672.db2.gz AQIXUQZDXOSRBU-PSASIEDQSA-N -1 3 330.211 3.792 20 0 EHADHM CC1=C(C(=O)[O-])C[C@H](CN[C@H](C)c2cc(Cl)cc(Cl)c2F)O1 ZINC001594104148 998148280 /nfs/dbraw/zinc/14/82/80/998148280.db2.gz JCMGINZRMBDMAE-GMSGAONNSA-N -1 3 348.201 3.931 20 0 EHADHM COc1cc2c(cc1F)CC[C@H]2N[C@H](C)c1cc(C(=O)[O-])cs1 ZINC001599465590 998354696 /nfs/dbraw/zinc/35/46/96/998354696.db2.gz XOSGXJFXCRTIFB-YMTOWFKASA-N -1 3 335.400 3.932 20 0 EHADHM COC(C)(C)CCN(C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001599032586 999061229 /nfs/dbraw/zinc/06/12/29/999061229.db2.gz LGBXIYSXGGXQOP-CYBMUJFWSA-N -1 3 334.243 3.866 20 0 EHADHM COC(CN(CCC(=O)[O-])Cc1ccc(C2CCCCC2)cc1)OC ZINC001599048175 999166217 /nfs/dbraw/zinc/16/62/17/999166217.db2.gz PEUSFYVLOOHAPW-UHFFFAOYSA-N -1 3 349.471 3.630 20 0 EHADHM CO[C@@H](c1ccccc1F)[C@@H](C)NCc1ccc(C(=O)[O-])cc1F ZINC001599062981 999279032 /nfs/dbraw/zinc/27/90/32/999279032.db2.gz FYRABXIBZSXPCG-PIGZYNQJSA-N -1 3 335.350 3.529 20 0 EHADHM CCCN(CCC)C(=O)CCCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000153705880 1016335066 /nfs/dbraw/zinc/33/50/66/1016335066.db2.gz LJIUFRPUPIANGW-UHFFFAOYSA-N -1 3 340.851 3.803 20 0 EHADHM O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1c([O-])cccc1Cl ZINC000143000538 1016775437 /nfs/dbraw/zinc/77/54/37/1016775437.db2.gz WAGLCWDNGXJCLS-INIZCTEOSA-N -1 3 344.842 3.613 20 0 EHADHM O=C(Nc1cc(F)ccc1[O-])c1ccnc(OCc2ccccc2)c1 ZINC000340318723 1016935067 /nfs/dbraw/zinc/93/50/67/1016935067.db2.gz XCGYYOSWNQRQNV-UHFFFAOYSA-N -1 3 338.338 3.758 20 0 EHADHM CC(C)(C)n1ccnc1SCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000340327083 1016951370 /nfs/dbraw/zinc/95/13/70/1016951370.db2.gz JBSCFLHBYRQUCK-UHFFFAOYSA-N -1 3 339.848 3.728 20 0 EHADHM CCC[C@@H](C)c1cc(=NC(=O)CCCc2ccc([O-])c(F)c2)[nH][nH]1 ZINC000471309019 1017004190 /nfs/dbraw/zinc/00/41/90/1017004190.db2.gz YRXHNKLNRIIWAM-GFCCVEGCSA-N -1 3 333.407 3.541 20 0 EHADHM O=C([O-])c1cccc(CN2CCC3(CCc4ccccc4O3)CC2)c1 ZINC000659802573 1017042376 /nfs/dbraw/zinc/04/23/76/1017042376.db2.gz ZBLPWSYEYOKVNL-UHFFFAOYSA-N -1 3 337.419 3.745 20 0 EHADHM [O-]c1cccc(CN2CCC[C@@H](OCC3CC3)C2)c1Br ZINC000459500787 1032200130 /nfs/dbraw/zinc/20/01/30/1032200130.db2.gz NQRDESKUXDROSS-CQSZACIVSA-N -1 3 340.261 3.546 20 0 EHADHM C[C@@H](CCC[C@H](C)C(=O)[O-])NCc1ccsc1Br ZINC000388729119 1017076008 /nfs/dbraw/zinc/07/60/08/1017076008.db2.gz CXHXEAUTRZXJDV-UWVGGRQHSA-N -1 3 334.279 3.880 20 0 EHADHM [O-]c1cccc(CN2CCC[C@H]2c2ccncc2)c1Br ZINC000459554385 1032272204 /nfs/dbraw/zinc/27/22/04/1032272204.db2.gz CMHZFQKQFCLTOV-AWEZNQCLSA-N -1 3 333.229 3.887 20 0 EHADHM Cc1ccc2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2n1 ZINC000084919954 1032467598 /nfs/dbraw/zinc/46/75/98/1032467598.db2.gz SXZKCGPYBWOUJN-UHFFFAOYSA-N -1 3 332.812 3.997 20 0 EHADHM Cc1ccc([C@H]2CCCCN2C(=O)N=c2cc3ccccn3[n-]2)cc1 ZINC000584428968 1032536987 /nfs/dbraw/zinc/53/69/87/1032536987.db2.gz CIGQGGTZKYOCOL-GOSISDBHSA-N -1 3 334.423 3.824 20 0 EHADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2ccc(=O)[nH]c2)c1Cl ZINC000315431986 1017071406 /nfs/dbraw/zinc/07/14/06/1017071406.db2.gz WLTRMSXYOSELAA-UHFFFAOYSA-N -1 3 347.223 3.512 20 0 EHADHM Fc1ccccc1[N-]c1nnc(SCc2nnc(C3CC3)o2)s1 ZINC000063415210 1017082314 /nfs/dbraw/zinc/08/23/14/1017082314.db2.gz FAOOMXRGSMHYDD-UHFFFAOYSA-N -1 3 349.416 3.974 20 0 EHADHM C/C=C/c1ccc([N-]S(=O)(=O)c2cc(OC)c(OC)cc2C)cc1 ZINC000574073043 1032692159 /nfs/dbraw/zinc/69/21/59/1032692159.db2.gz GLYCMAKDVCTNEC-AATRIKPKSA-N -1 3 347.436 3.846 20 0 EHADHM CCc1cccc(C(=O)N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)c1[O-] ZINC000092224545 1032731378 /nfs/dbraw/zinc/73/13/78/1032731378.db2.gz ZHUBXLQSLKIBMP-OZAJXLCCSA-N -1 3 345.464 3.525 20 0 EHADHM CC(C)(C)C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)C(F)(F)F ZINC000181807265 1018016393 /nfs/dbraw/zinc/01/63/93/1018016393.db2.gz PJCMQPLTWVAKQF-LBPRGKRZSA-N -1 3 336.329 3.698 20 0 EHADHM C[C@H](C(=O)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1cccs1 ZINC000606531696 1032742420 /nfs/dbraw/zinc/74/24/20/1032742420.db2.gz QTWXUFXXBHQVIN-JTQLQIEISA-N -1 3 331.828 3.956 20 0 EHADHM Cc1ccc([O-])c(C(=O)Nc2ccc(Oc3ncccn3)cc2C)c1 ZINC000124329399 1018733418 /nfs/dbraw/zinc/73/34/18/1018733418.db2.gz JYMDJIWOQQIZAL-UHFFFAOYSA-N -1 3 335.363 3.844 20 0 EHADHM O=C(NCc1ccc([O-])c(F)c1)NCC1(c2ccc(Cl)cc2)CC1 ZINC000606668975 1032790042 /nfs/dbraw/zinc/79/00/42/1032790042.db2.gz ZCXNFDGAXWZGEW-UHFFFAOYSA-N -1 3 348.805 3.716 20 0 EHADHM O=C(Nc1ccc(Br)cc1[O-])C1(C(F)F)CCCC1 ZINC000580270300 1018902634 /nfs/dbraw/zinc/90/26/34/1018902634.db2.gz FGYUNFDHQLTVBX-UHFFFAOYSA-N -1 3 334.160 3.919 20 0 EHADHM C[C@@H](CS(=O)(=O)[N-]c1cccc2ccn(C)c21)c1ccccc1 ZINC000471579235 1019407033 /nfs/dbraw/zinc/40/70/33/1019407033.db2.gz XJFBPFJGCUOLNY-AWEZNQCLSA-N -1 3 328.437 3.724 20 0 EHADHM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc2nc(C)cn2c1 ZINC000606753110 1032830050 /nfs/dbraw/zinc/83/00/50/1032830050.db2.gz HHHLJDUUJQVRDU-UHFFFAOYSA-N -1 3 343.452 3.568 20 0 EHADHM O=C([N-][C@@H](c1cccnc1)C1CC1)C(F)(F)c1c(F)cccc1F ZINC000760013847 1019501593 /nfs/dbraw/zinc/50/15/93/1019501593.db2.gz VOTOPEHCDAJKNW-OAHLLOKOSA-N -1 3 338.304 3.719 20 0 EHADHM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1csc(-c3cccs3)n1)C2 ZINC000262167610 1019553713 /nfs/dbraw/zinc/55/37/13/1019553713.db2.gz OSFVAVARQUBXKF-MEDUHNTESA-N -1 3 334.466 3.558 20 0 EHADHM CC1(C)CN(Cc2c(F)ccc([O-])c2F)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000513489587 1019736253 /nfs/dbraw/zinc/73/62/53/1019736253.db2.gz JDCRVTCPPPCSFV-NQCMUKECSA-N -1 3 337.410 3.840 20 0 EHADHM COCc1cnc([N-]C(=O)c2cc(-c3ccc(C)cc3)no2)s1 ZINC000340807436 1020068876 /nfs/dbraw/zinc/06/88/76/1020068876.db2.gz LLSPMKFKAUKWNX-UHFFFAOYSA-N -1 3 329.381 3.505 20 0 EHADHM Cc1cc(=O)[n-]c([C@H](C)N(C)Cc2ccc(Cl)cc2Cl)n1 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20 0 EHADHM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2ccc(F)cc2Cl)o1 ZINC000614622798 1024269507 /nfs/dbraw/zinc/26/95/07/1024269507.db2.gz WZQDPPZNLXVYAU-JOYOIKCWSA-N -1 3 343.807 3.674 20 0 EHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000029046234 1024400919 /nfs/dbraw/zinc/40/09/19/1024400919.db2.gz MJKIAJXDSHTCOF-UHFFFAOYSA-N -1 3 325.817 3.930 20 0 EHADHM O=c1cc(CSc2cc(C(F)(F)F)ccn2)nc(C2CC2)[n-]1 ZINC000657276057 1024487691 /nfs/dbraw/zinc/48/76/91/1024487691.db2.gz YBHSQFLMGDCIMR-UHFFFAOYSA-N -1 3 327.331 3.766 20 0 EHADHM O=C(c1cc([O-])ccc1Cl)N1CCC(CCCn2ccnc2)CC1 ZINC000346299581 1024614648 /nfs/dbraw/zinc/61/46/48/1024614648.db2.gz BSHAFMPILWHSLF-UHFFFAOYSA-N -1 3 347.846 3.575 20 0 EHADHM O=C(CCCSc1ccc(Cl)cc1)[N-]OCc1ccccn1 ZINC000909523609 1024625352 /nfs/dbraw/zinc/62/53/52/1024625352.db2.gz PDGPUAWVIVRQDC-UHFFFAOYSA-N -1 3 336.844 3.855 20 0 EHADHM [O-]c1cc(Br)cnc1CN[C@H](c1ccccn1)C1CCC1 ZINC000895583194 1024628658 /nfs/dbraw/zinc/62/86/58/1024628658.db2.gz 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C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000451444109 1025973096 /nfs/dbraw/zinc/97/30/96/1025973096.db2.gz HDFUYDDNHYWEGM-RHSMWYFYSA-N -1 3 327.399 3.869 20 0 EHADHM CCOc1ccc2nc(NC(=O)c3cc(OC)ccc3[O-])sc2c1 ZINC000324594663 1025999275 /nfs/dbraw/zinc/99/92/75/1025999275.db2.gz JPIUIYQKIQCWJG-UHFFFAOYSA-N -1 3 344.392 3.662 20 0 EHADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000436672088 1026012033 /nfs/dbraw/zinc/01/20/33/1026012033.db2.gz BOUJMXWXNGVZQD-SECBINFHSA-N -1 3 325.286 3.608 20 0 EHADHM C[C@@H]1CCC[C@@H](OCC(=O)Nc2ccc(Br)cc2[O-])C1 ZINC000522146762 1026030438 /nfs/dbraw/zinc/03/04/38/1026030438.db2.gz ZFTAKGKPZNCLLZ-ZYHUDNBSSA-N -1 3 342.233 3.689 20 0 EHADHM CN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@@H]1CCCc2ccccc21 ZINC000516162367 1026050757 /nfs/dbraw/zinc/05/07/57/1026050757.db2.gz GQZCJMOYJQVTKG-LJQANCHMSA-N -1 3 332.403 3.678 20 0 EHADHM Cc1ccc(C(=O)Nc2ccc(C)c(C(=O)N(C)C(C)C)c2)c([O-])c1 ZINC000436716308 1026086783 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[O-]c1cccc(CN2CCCC[C@H]2c2ncc[nH]2)c1Br ZINC000459322187 1027626415 /nfs/dbraw/zinc/62/64/15/1027626415.db2.gz HVVJCZAACINTNQ-LBPRGKRZSA-N -1 3 336.233 3.605 20 0 EHADHM CCCCC[C@@H](C)NC(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000028486077 1027720991 /nfs/dbraw/zinc/72/09/91/1027720991.db2.gz MFNWJGAJZRVKPS-SECBINFHSA-N -1 3 335.231 3.563 20 0 EHADHM CCOc1cc(CNc2ccc([S@](C)=O)cc2)cc(Cl)c1[O-] ZINC000459346260 1027792922 /nfs/dbraw/zinc/79/29/22/1027792922.db2.gz JDWNUOHHFKGTMS-QFIPXVFZSA-N -1 3 339.844 3.794 20 0 EHADHM Cc1c(NC(=O)c2cc(C)ccc2[O-])cnn1-c1ccccc1F ZINC000533406202 1027814409 /nfs/dbraw/zinc/81/44/09/1027814409.db2.gz KKUVIPGABHGIQW-UHFFFAOYSA-N -1 3 325.343 3.586 20 0 EHADHM COc1ccc(SC)c(OC)c1C(=O)Nc1cc(F)ccc1[O-] ZINC000342985824 1028526928 /nfs/dbraw/zinc/52/69/28/1028526928.db2.gz XJZDPRMAJTZIFU-UHFFFAOYSA-N -1 3 337.372 3.523 20 0 EHADHM COc1cccc(C)c1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000343005902 1028616492 /nfs/dbraw/zinc/61/64/92/1028616492.db2.gz CXZDUDVLZSAXPH-UHFFFAOYSA-N -1 3 340.354 3.545 20 0 EHADHM CC[C@@](C)(NCc1nc2c3ccccc3oc2c(=O)[n-]1)C(F)(F)F ZINC000532721283 1028685682 /nfs/dbraw/zinc/68/56/82/1028685682.db2.gz CTNQYTGJKALMAL-OAHLLOKOSA-N -1 3 339.317 3.902 20 0 EHADHM COC(=O)c1cc(F)c(Nc2ccc([O-])c(F)c2F)c(C)c1F ZINC001212014091 1028712344 /nfs/dbraw/zinc/71/23/44/1028712344.db2.gz YZVFHUGLXIHYCL-UHFFFAOYSA-N -1 3 329.249 3.787 20 0 EHADHM COc1cccc(-n2ncc(C)c2Nc2cc(F)c([O-])c(F)c2)c1 ZINC001213377416 1028877976 /nfs/dbraw/zinc/87/79/76/1028877976.db2.gz OAXCQQSSWWNNJC-UHFFFAOYSA-N -1 3 331.322 3.917 20 0 EHADHM CCC(C)(C)C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000428407459 1028878203 /nfs/dbraw/zinc/87/82/03/1028878203.db2.gz XCLQCXWUAJNEND-UHFFFAOYSA-N -1 3 327.343 3.559 20 0 EHADHM Cc1nc(-c2ccc(NC(=O)NC[C@H](C)C(C)C)cc2)cc(=O)[n-]1 ZINC000524148462 1028909474 /nfs/dbraw/zinc/90/94/74/1028909474.db2.gz VYNPGHHYNMTNBN-LBPRGKRZSA-N -1 3 328.416 3.571 20 0 EHADHM CC[C@H](CSc1ccc(C)c(C)c1)[N-]S(=O)(=O)c1ccco1 ZINC000445716815 1029080422 /nfs/dbraw/zinc/08/04/22/1029080422.db2.gz VTMVUGUULGMINL-CQSZACIVSA-N -1 3 339.482 3.746 20 0 EHADHM CC[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1cc(F)ccc1F ZINC000077839242 1029163807 /nfs/dbraw/zinc/16/38/07/1029163807.db2.gz BJCFPOCDECRSLJ-HNNXBMFYSA-N -1 3 338.329 3.760 20 0 EHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CCC[C@@H](F)C3)c2)n1 ZINC000424607138 1029167208 /nfs/dbraw/zinc/16/72/08/1029167208.db2.gz QTOJPFDUNPHCEW-UONOGXRCSA-N -1 3 343.402 3.878 20 0 EHADHM O=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)c1cc(F)cc2n[n-]nc21 ZINC000505097013 1029218149 /nfs/dbraw/zinc/21/81/49/1029218149.db2.gz XNNMTHWMIATSLV-HIFRSBDPSA-N -1 3 338.386 3.553 20 0 EHADHM Cc1ccc(Sc2nsc([N-]C(=O)c3cncc(F)c3)n2)cc1 ZINC000150823779 1029226179 /nfs/dbraw/zinc/22/61/79/1029226179.db2.gz BSDJDQOTPXDOQD-UHFFFAOYSA-N -1 3 346.412 3.784 20 0 EHADHM CC(=O)c1ccc(C(=O)Nc2ccnn2[C@@H](C)CC(C)C)cc1[O-] ZINC000615009012 1029234495 /nfs/dbraw/zinc/23/44/95/1029234495.db2.gz MYIVMSRVWXRLRL-LBPRGKRZSA-N -1 3 329.400 3.651 20 0 EHADHM CCOc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC000154830007 1029332601 /nfs/dbraw/zinc/33/26/01/1029332601.db2.gz OPKPORIJKJLTDS-UHFFFAOYSA-N -1 3 340.354 3.627 20 0 EHADHM Cc1ccc([O-])c(C(=O)Nc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)c1 ZINC000505185362 1029333002 /nfs/dbraw/zinc/33/30/02/1029333002.db2.gz PLTUWSKNVKOHGY-RBUKOAKNSA-N -1 3 341.407 3.635 20 0 EHADHM CC(C)c1ccc(C(=O)Nc2ccc(Br)cc2[O-])cn1 ZINC000533266688 1029566601 /nfs/dbraw/zinc/56/66/01/1029566601.db2.gz UAIDHLBVVBIDJX-UHFFFAOYSA-N -1 3 335.201 3.925 20 0 EHADHM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000263301858 1029686733 /nfs/dbraw/zinc/68/67/33/1029686733.db2.gz GSKFLAJJTUFPSZ-GXSJLCMTSA-N -1 3 333.762 3.627 20 0 EHADHM Cc1c(F)cccc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)(F)F ZINC000525186623 1029733995 /nfs/dbraw/zinc/73/39/95/1029733995.db2.gz TUZRHILPUORCAV-CQSZACIVSA-N -1 3 347.333 3.716 20 0 EHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccc(C)c3Cl)nc21 ZINC000162513298 1029736468 /nfs/dbraw/zinc/73/64/68/1029736468.db2.gz SMDFYIVFLZBRCC-UHFFFAOYSA-N -1 3 343.770 3.564 20 0 EHADHM C[C@H]1CN(Cc2c(F)ccc([O-])c2F)C[C@H](c2ccc(F)cc2)O1 ZINC000508718558 1029793031 /nfs/dbraw/zinc/79/30/31/1029793031.db2.gz LLDHSJGTQRHJGB-APPDUMDISA-N -1 3 337.341 3.772 20 0 EHADHM CCOCc1ccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)cc1 ZINC000525751948 1030099743 /nfs/dbraw/zinc/09/97/43/1030099743.db2.gz JLMTWJLUVZCWEK-UHFFFAOYSA-N -1 3 349.452 3.649 20 0 EHADHM Cc1cnc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])s1 ZINC000525770606 1030108593 /nfs/dbraw/zinc/10/85/93/1030108593.db2.gz NCVPLSLIQYGQLO-UHFFFAOYSA-N -1 3 338.432 3.678 20 0 EHADHM C[C@@H](CC(F)(F)F)NCc1ccc(C(=O)[O-])c(Br)c1 ZINC000901449743 1030570792 /nfs/dbraw/zinc/57/07/92/1030570792.db2.gz KHJAXKGPGCBQKM-ZETCQYMHSA-N -1 3 340.139 3.578 20 0 EHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(N(C)C(C)C)nc2)CC)n1 ZINC000193617901 1030592384 /nfs/dbraw/zinc/59/23/84/1030592384.db2.gz QJGFYNTWARSTBW-WJDWOHSUSA-N -1 3 340.471 3.913 20 0 EHADHM CCc1ccccc1CC(=O)Nc1ccc(Br)cc1[O-] ZINC000527198671 1030722768 /nfs/dbraw/zinc/72/27/68/1030722768.db2.gz SWEAWNRQBBDMKU-UHFFFAOYSA-N -1 3 334.213 3.898 20 0 EHADHM CSc1ccc([O-])c(C(=O)N[C@@H](C)[C@H]2OCCc3sccc32)c1 ZINC000615207065 1030722858 /nfs/dbraw/zinc/72/28/58/1030722858.db2.gz IPPNTAUJQDGRTC-MGPLVRAMSA-N -1 3 349.477 3.608 20 0 EHADHM CCC[C@](C)(CC)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648431077 1030829763 /nfs/dbraw/zinc/82/97/63/1030829763.db2.gz GPLNDZDTFBCYJK-LBPRGKRZSA-N -1 3 325.762 3.676 20 0 EHADHM O=C(Nc1ccc(OC2CCCCC2)cc1)c1cccc2n[n-]nc21 ZINC000527358108 1030851043 /nfs/dbraw/zinc/85/10/43/1030851043.db2.gz KRPCIGXDWDCDGH-UHFFFAOYSA-N -1 3 336.395 3.922 20 0 EHADHM CCc1ccccc1NC(=O)CN(C)Cc1cc(Cl)ccc1[O-] ZINC000161956662 1031208212 /nfs/dbraw/zinc/20/82/12/1031208212.db2.gz URQHHLSMYXXQBX-UHFFFAOYSA-N -1 3 332.831 3.679 20 0 EHADHM C[C@@H]1CN(Cc2cc(-c3ccccc3Cl)on2)C[C@H]1CC(=O)[O-] ZINC000903629748 1031455251 /nfs/dbraw/zinc/45/52/51/1031455251.db2.gz VLTHRZDEIGQYCM-VXGBXAGGSA-N -1 3 334.803 3.538 20 0 EHADHM C[C@@H](C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1ccccc1 ZINC000477370564 1031500942 /nfs/dbraw/zinc/50/09/42/1031500942.db2.gz AVWVVFUWIFKHRP-LLVKDONJSA-N -1 3 327.334 3.519 20 0 EHADHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000545187238 1031522947 /nfs/dbraw/zinc/52/29/47/1031522947.db2.gz QEWDKWSKXKAKME-ZDUSSCGKSA-N -1 3 345.464 3.936 20 0 EHADHM Cc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)c(C)c1 ZINC000151529568 1031541751 /nfs/dbraw/zinc/54/17/51/1031541751.db2.gz UXNAMBVNXHURAX-UHFFFAOYSA-N -1 3 334.213 3.702 20 0 EHADHM Cc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1C ZINC000151531829 1031565764 /nfs/dbraw/zinc/56/57/64/1031565764.db2.gz MYTJMWNQALLDOT-UHFFFAOYSA-N -1 3 334.213 3.702 20 0 EHADHM Cc1nc(-c2ccccc2C)sc1C(=O)N=c1cc2ccccn2[n-]1 ZINC000584070554 1031638519 /nfs/dbraw/zinc/63/85/19/1031638519.db2.gz NJNINSKVFFCMBU-UHFFFAOYSA-N -1 3 348.431 3.749 20 0 EHADHM CCC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000448791054 1031653028 /nfs/dbraw/zinc/65/30/28/1031653028.db2.gz CRGFPRSCMBBYAY-YOEHRIQHSA-N -1 3 339.439 3.900 20 0 EHADHM Cc1ccc(CN(C(=O)c2cc3c(cc2[O-])OCO3)C2CC2)cc1C ZINC000436560076 1031692403 /nfs/dbraw/zinc/69/24/03/1031692403.db2.gz CYZVQACNHIUBMF-UHFFFAOYSA-N -1 3 339.391 3.543 20 0 EHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3CC[C@H](C)[C@H](C)C3)cc2)n1 ZINC000448798326 1031707079 /nfs/dbraw/zinc/70/70/79/1031707079.db2.gz VDPRDRGKPKKKGF-WOSRLPQWSA-N -1 3 339.439 3.756 20 0 EHADHM COc1ccc(N(C(=O)Cc2ccc([O-])c(F)c2)[C@@H](C)C2CC2)cc1 ZINC000448843648 1031772631 /nfs/dbraw/zinc/77/26/31/1031772631.db2.gz JTDXXXPAZRTLKU-ZDUSSCGKSA-N -1 3 343.398 3.914 20 0 EHADHM CC(C)[C@@H]1N(Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)CC12CCC2 ZINC000904242601 1031891905 /nfs/dbraw/zinc/89/19/05/1031891905.db2.gz PNDYYAPUYOQZGR-SFHVURJKSA-N -1 3 346.471 3.591 20 0 EHADHM CC(C)(C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cccc2ccccc21 ZINC000574640015 1033332139 /nfs/dbraw/zinc/33/21/39/1033332139.db2.gz MTWCTNAUAFTWPG-GOSISDBHSA-N -1 3 349.434 3.753 20 0 EHADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)c1 ZINC000685447811 1033343822 /nfs/dbraw/zinc/34/38/22/1033343822.db2.gz CMKCAXHRTGCXFD-UHFFFAOYSA-N -1 3 345.342 3.737 20 0 EHADHM Cc1ccc([C@@H]([N-]S(=O)(=O)c2c(F)cccc2F)C2CC2)cc1 ZINC000685455181 1033350696 /nfs/dbraw/zinc/35/06/96/1033350696.db2.gz ABRWVWAEUZZKRD-MRXNPFEDSA-N -1 3 337.391 3.703 20 0 EHADHM CC(C)c1ccc([C@H](C)CC(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC000898216264 1033372361 /nfs/dbraw/zinc/37/23/61/1033372361.db2.gz PCBDCKOQBCKPTA-PBHICJAKSA-N -1 3 341.455 3.748 20 0 EHADHM O=C(CCCc1ccc2ccccc2c1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898217958 1033372406 /nfs/dbraw/zinc/37/24/06/1033372406.db2.gz VXDLHKCQXREPFB-GOSISDBHSA-N -1 3 349.434 3.607 20 0 EHADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)Cc2ccc([O-])c(F)c2)s1 ZINC000449922885 1033433867 /nfs/dbraw/zinc/43/38/67/1033433867.db2.gz CMZYPXUUNJFGOX-LLVKDONJSA-N -1 3 336.432 3.621 20 0 EHADHM CCC[C@@]1(C(=O)OCC)CCCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000598791703 1033456253 /nfs/dbraw/zinc/45/62/53/1033456253.db2.gz ZDFZFWJQOBDGAX-FQEVSTJZSA-N -1 3 347.455 3.854 20 0 EHADHM Cc1ccc(C(=O)N(C)Cc2ccc(Br)cc2)c([O-])c1 ZINC000044274024 1033482759 /nfs/dbraw/zinc/48/27/59/1033482759.db2.gz FCTIMGXNHZWEMJ-UHFFFAOYSA-N -1 3 334.213 3.735 20 0 EHADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000449970446 1033524770 /nfs/dbraw/zinc/52/47/70/1033524770.db2.gz WFGFMXZLZKMNCZ-KRWDZBQOSA-N -1 3 329.415 3.862 20 0 EHADHM O=C([N-]c1nnc(Cc2ccc(F)cc2)s1)c1cc(F)ccc1F ZINC000106703323 1033614975 /nfs/dbraw/zinc/61/49/75/1033614975.db2.gz ZWHFQCIKEPHQCM-UHFFFAOYSA-N -1 3 349.337 3.799 20 0 EHADHM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000107496136 1033685530 /nfs/dbraw/zinc/68/55/30/1033685530.db2.gz SKKWTIYTIAESIV-UHFFFAOYSA-N -1 3 347.480 3.830 20 0 EHADHM O=C(NC[C@@H]1CCCC(F)(F)C1)c1cc([O-])cc(Br)c1 ZINC000529272201 1033746331 /nfs/dbraw/zinc/74/63/31/1033746331.db2.gz NCXUSDNBCAVKOD-SECBINFHSA-N -1 3 348.187 3.710 20 0 EHADHM CC1(C)C[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)c2ccc(F)cc2O1 ZINC000450152081 1033815249 /nfs/dbraw/zinc/81/52/49/1033815249.db2.gz KMWNXHREPJIQAZ-OAHLLOKOSA-N -1 3 347.361 3.632 20 0 EHADHM CSc1ccc([O-])c(C(=O)NC[C@@H](c2cccnc2)C(C)C)c1 ZINC000612061823 1033975803 /nfs/dbraw/zinc/97/58/03/1033975803.db2.gz JHKWCCBMQLASFG-MRXNPFEDSA-N -1 3 330.453 3.679 20 0 EHADHM O=C(Cc1ccc([O-])c(F)c1)NCC1(c2ccccc2Cl)CC1 ZINC000450309303 1034081109 /nfs/dbraw/zinc/08/11/09/1034081109.db2.gz SBKWYIBHVZHBFW-UHFFFAOYSA-N -1 3 333.790 3.575 20 0 EHADHM CC(C)Cn1ncc(NC(=O)Cc2ccc([O-])c(F)c2)c1C(C)C ZINC000450323601 1034132586 /nfs/dbraw/zinc/13/25/86/1034132586.db2.gz JCFGPSPOWPXWSK-UHFFFAOYSA-N -1 3 333.407 3.688 20 0 EHADHM C[C@H]1CCc2c(sc3[n-]c(COCc4ccccc4)nc(=O)c23)C1 ZINC000057771539 1034237309 /nfs/dbraw/zinc/23/73/09/1034237309.db2.gz SHTQPWVFIQKKSP-LBPRGKRZSA-N -1 3 340.448 3.826 20 0 EHADHM COc1cnc(C(=O)[N-]c2cc(Cl)ccc2SC(C)C)nc1 ZINC000339961376 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CC(C)=CCSC[C@@H](NCc1cccc(Cl)c1F)C(=O)[O-] ZINC000417625479 1040102262 /nfs/dbraw/zinc/10/22/62/1040102262.db2.gz MJPQOZDVBPPXQP-CYBMUJFWSA-N -1 3 331.840 3.721 20 0 EHADHM COc1ccc2oc(CN[C@H]3C[C@H](C(=O)[O-])c4ccccc43)cc2c1 ZINC000417637559 1040117260 /nfs/dbraw/zinc/11/72/60/1040117260.db2.gz ZCCQMYBMEFEDLT-ROUUACIJSA-N -1 3 337.375 3.844 20 0 EHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(C)c(OC)c2C)cc1C ZINC000512570090 1040158315 /nfs/dbraw/zinc/15/83/15/1040158315.db2.gz YNUZJVQHRMQQEH-UHFFFAOYSA-N -1 3 349.452 3.738 20 0 EHADHM Cc1ccccc1[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)C1CC1 ZINC000489765295 1040199276 /nfs/dbraw/zinc/19/92/76/1040199276.db2.gz JYPLDBMSKBOEQM-INIZCTEOSA-N -1 3 337.391 3.703 20 0 EHADHM [O-]c1cccc(CN2CCC(O)(Cc3cccc(F)c3)CC2)c1Cl ZINC000512638626 1040372490 /nfs/dbraw/zinc/37/24/90/1040372490.db2.gz NXSHCZUXONYROY-UHFFFAOYSA-N -1 3 349.833 3.754 20 0 EHADHM COc1cc(C(=O)N2CC[C@H](C)[C@H]2c2ccccc2)cc(OC)c1[O-] ZINC000899376642 1040392243 /nfs/dbraw/zinc/39/22/43/1040392243.db2.gz QWHZQLGITBYLDH-UGSOOPFHSA-N -1 3 341.407 3.633 20 0 EHADHM Cc1cccc(OC[C@@H](C)NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000468743643 1040455587 /nfs/dbraw/zinc/45/55/87/1040455587.db2.gz MZBZMBSJKFLICR-OAHLLOKOSA-N -1 3 345.414 3.746 20 0 EHADHM O=C(c1cc([O-])ccc1Cl)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000899420529 1040481558 /nfs/dbraw/zinc/48/15/58/1040481558.db2.gz JNANDRDEUWRPQT-XPTSAGLGSA-N -1 3 333.737 3.850 20 0 EHADHM Cc1ccccc1-c1cc(=NC(=O)C2(c3cccnc3)CCCC2)[nH][n-]1 ZINC000486838622 1040497835 /nfs/dbraw/zinc/49/78/35/1040497835.db2.gz IKTVRKRNURZWMZ-UHFFFAOYSA-N -1 3 346.434 3.653 20 0 EHADHM C[C@@H](CCC[C@H](C)C(=O)[O-])NCc1cccc(F)c1Br ZINC000156975514 1040515388 /nfs/dbraw/zinc/51/53/88/1040515388.db2.gz IUIAMYINBTXMNJ-QWRGUYRKSA-N -1 3 346.240 3.957 20 0 EHADHM C[C@@H](Cc1ccccc1)C(=O)Nc1cc(Br)ccc1[O-] ZINC000500116895 1040541273 /nfs/dbraw/zinc/54/12/73/1040541273.db2.gz WIOSEBWQOXJNOZ-NSHDSACASA-N -1 3 334.213 3.972 20 0 EHADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCc3sc(Cl)cc32)o1 ZINC000490436413 1040553882 /nfs/dbraw/zinc/55/38/82/1040553882.db2.gz MDANKRPMKRCCTB-JTQLQIEISA-N -1 3 331.846 3.659 20 0 EHADHM O=C([O-])/C=C\c1ccc(NC(=O)[C@H]2CCCCN2C2CCCC2)cc1 ZINC000909097894 1040799946 /nfs/dbraw/zinc/79/99/46/1040799946.db2.gz WPQMSXZBQIDATK-ADYSOMBNSA-N -1 3 342.439 3.520 20 0 EHADHM CC(C)Oc1cccc(F)c1Nc1cccc(C(=O)N(C)C)c1[O-] ZINC001211783282 1040857557 /nfs/dbraw/zinc/85/75/57/1040857557.db2.gz FKCYBRNULHTBIS-UHFFFAOYSA-N -1 3 332.375 3.764 20 0 EHADHM CSc1ccc([O-])c(C(=O)N2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000669137018 1041004033 /nfs/dbraw/zinc/00/40/33/1041004033.db2.gz QROMZWLUDMUMMQ-HNNXBMFYSA-N -1 3 327.449 3.819 20 0 EHADHM CCN(CC)[C@@H](C(=O)Nc1cc([O-])c(F)cc1F)c1ccccc1 ZINC000909976762 1041087435 /nfs/dbraw/zinc/08/74/35/1041087435.db2.gz LDFKTOMSRRLVQF-QGZVFWFLSA-N -1 3 334.366 3.692 20 0 EHADHM CCn1c2ccc(C(=O)[O-])cc2nc1CN1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000571096640 1041182266 /nfs/dbraw/zinc/18/22/66/1041182266.db2.gz FLSPIDJNHHZYSQ-HOCLYGCPSA-N -1 3 341.455 3.765 20 0 EHADHM Cc1ccc(C(=O)NCC2CC2)cc1NCc1c(F)ccc([O-])c1F ZINC000513042126 1041412693 /nfs/dbraw/zinc/41/26/93/1041412693.db2.gz VMNBIOVLNOZZCD-UHFFFAOYSA-N -1 3 346.377 3.731 20 0 EHADHM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2C)cc1 ZINC000511688485 1041464292 /nfs/dbraw/zinc/46/42/92/1041464292.db2.gz RURIKTOGTTWJGW-AWEZNQCLSA-N -1 3 349.452 3.982 20 0 EHADHM O=C(NCc1ccc(C2CCCCC2)cc1)NCc1ncccc1[O-] ZINC000432127577 1041623391 /nfs/dbraw/zinc/62/33/91/1041623391.db2.gz UDBMTVMCJODBAR-UHFFFAOYSA-N -1 3 339.439 3.834 20 0 EHADHM CC(C)(C)c1nc(CCNCc2c(F)ccc([O-])c2F)cs1 ZINC000511844791 1041692059 /nfs/dbraw/zinc/69/20/59/1041692059.db2.gz NIONREYQXYOMCB-UHFFFAOYSA-N -1 3 326.412 3.757 20 0 EHADHM Cc1cc(F)cc2c1N(C(=O)c1c[n-]c3ccccc3c1=O)CCC2 ZINC001125986961 1041788963 /nfs/dbraw/zinc/78/89/63/1041788963.db2.gz FIGITMBJQQQOTR-UHFFFAOYSA-N -1 3 336.366 3.569 20 0 EHADHM C[C@H]1CCN(Cc2cc(Br)ccc2C(=O)[O-])C[C@H]1C ZINC000652418484 1042466801 /nfs/dbraw/zinc/46/68/01/1042466801.db2.gz USVDAGSGNOMWBX-WDEREUQCSA-N -1 3 326.234 3.625 20 0 EHADHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(O[C@H]2CC2(F)F)cc1 ZINC000663261029 1042610402 /nfs/dbraw/zinc/61/04/02/1042610402.db2.gz HWKJFLDZGPFZIK-HNNXBMFYSA-N -1 3 339.363 3.582 20 0 EHADHM CCc1ccc(-c2noc(-c3cc(OC)c([O-])c(OC)c3)n2)cc1 ZINC000186107476 1042645911 /nfs/dbraw/zinc/64/59/11/1042645911.db2.gz ZOFHQZVOPOAZSR-UHFFFAOYSA-N -1 3 326.352 3.689 20 0 EHADHM Cc1ccc(C(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)c([O-])c1 ZINC000186321170 1042657749 /nfs/dbraw/zinc/65/77/49/1042657749.db2.gz LZPOCCOHTNYMQI-KRWDZBQOSA-N -1 3 349.789 3.707 20 0 EHADHM CC[C@H]1CC[C@H](C)N1C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000557198127 1042673201 /nfs/dbraw/zinc/67/32/01/1042673201.db2.gz BIZXWPQPWDMMDA-LRDDRELGSA-N -1 3 340.427 3.952 20 0 EHADHM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1ccc(F)c(Cl)c1 ZINC000644851251 1042989247 /nfs/dbraw/zinc/98/92/47/1042989247.db2.gz FECJMNLNIAZPQE-UHFFFAOYSA-N -1 3 339.697 3.697 20 0 EHADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)c(Br)c1 ZINC000028196181 1043056902 /nfs/dbraw/zinc/05/69/02/1043056902.db2.gz XYQVUWARXWDKAH-UHFFFAOYSA-N -1 3 344.205 3.697 20 0 EHADHM Cc1ncc(CNCc2ccc(-c3ccccc3Cl)o2)c(=O)[n-]1 ZINC000344328137 1043657531 /nfs/dbraw/zinc/65/75/31/1043657531.db2.gz QJXUAXODWABDAN-UHFFFAOYSA-N -1 3 329.787 3.694 20 0 EHADHM CC(=O)c1ccc(-c2nc3cc(F)c(F)cc3c(=O)[n-]2)cc1Cl ZINC000432513767 1043671850 /nfs/dbraw/zinc/67/18/50/1043671850.db2.gz CRKZYHLPXRFPAB-UHFFFAOYSA-N -1 3 334.709 3.724 20 0 EHADHM Cc1ccc(C(=O)N(CCC(F)(F)F)CC(F)(F)F)c([O-])c1 ZINC000279548460 1044218123 /nfs/dbraw/zinc/21/81/23/1044218123.db2.gz IZXZCBIPRMPOFS-UHFFFAOYSA-N -1 3 329.240 3.658 20 0 EHADHM COc1cc(CN[C@H](CC(=O)[O-])c2cccs2)ccc1OC(C)C ZINC000324835706 1044634205 /nfs/dbraw/zinc/63/42/05/1044634205.db2.gz JCZHZXHXZRDMIP-CQSZACIVSA-N -1 3 349.452 3.850 20 0 EHADHM O=S(=O)([N-][C@@H]1CC[C@H](F)C1)c1ccc(Cl)cc1C(F)(F)F ZINC000344925029 1044696710 /nfs/dbraw/zinc/69/67/10/1044696710.db2.gz XCFSLGIACPMJDA-DTWKUNHWSA-N -1 3 345.745 3.528 20 0 EHADHM COC(=O)c1cnc(SCCCOc2cccc3ccccc32)[n-]1 ZINC000432680994 1044779007 /nfs/dbraw/zinc/77/90/07/1044779007.db2.gz ZSVFQKGZMCNMEM-UHFFFAOYSA-N -1 3 342.420 3.911 20 0 EHADHM CCCn1nc(C)c(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1C ZINC000153653586 1125643732 /nfs/dbraw/zinc/64/37/32/1125643732.db2.gz QXKFXNKJXUELLR-UHFFFAOYSA-N -1 3 341.333 3.887 20 0 EHADHM CC(C)[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])C(C)(C)O ZINC000622551949 1126721487 /nfs/dbraw/zinc/72/14/87/1126721487.db2.gz DPNRTJFRFQSWFM-IBGZPJMESA-N -1 3 341.451 3.508 20 0 EHADHM CCc1ccc([O-])c(C(=O)Nc2cn(C)nc2C2CCCCC2)c1 ZINC000622627007 1126733446 /nfs/dbraw/zinc/73/34/46/1126733446.db2.gz UJOUSKNHSNVQLM-UHFFFAOYSA-N -1 3 327.428 3.988 20 0 EHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCCc2ccc(Cl)cc2)n1 ZINC000622738898 1126758508 /nfs/dbraw/zinc/75/85/08/1126758508.db2.gz LJOHUMSKEFROQU-UHFFFAOYSA-N -1 3 347.846 3.518 20 0 EHADHM CC1(C)CN(Cc2ccccc2)CC[C@@H]1N=c1nc(C2CC2)[n-]s1 ZINC000337886052 1126829382 /nfs/dbraw/zinc/82/93/82/1126829382.db2.gz XZDKNVOUJWSLFV-INIZCTEOSA-N -1 3 342.512 3.550 20 0 EHADHM O=C(Nc1cc(F)ccc1[O-])c1cc(F)ccc1Br ZINC000174870877 1126862397 /nfs/dbraw/zinc/86/23/97/1126862397.db2.gz HRYYRQHWJHVGFZ-UHFFFAOYSA-N -1 3 328.112 3.685 20 0 EHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(F)cc1F ZINC000176440253 1126918851 /nfs/dbraw/zinc/91/88/51/1126918851.db2.gz HZLQPBCVZSVOGP-UHFFFAOYSA-N -1 3 328.112 3.685 20 0 EHADHM Cc1cccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)c1 ZINC000179533889 1127069688 /nfs/dbraw/zinc/06/96/88/1127069688.db2.gz FFMXKJVUHMFXEB-UHFFFAOYSA-N -1 3 337.351 3.610 20 0 EHADHM CC(C)(C)[C@H](NCC(=O)[N-]OCc1ccccc1)c1ccc(F)cc1 ZINC000765501130 1127623953 /nfs/dbraw/zinc/62/39/53/1127623953.db2.gz VEMDGODYEBYJHB-LJQANCHMSA-N -1 3 344.430 3.751 20 0 EHADHM O=C(Nc1nnc(-c2ccco2)s1)c1cc([O-])c2ccccc2c1 ZINC000471779930 1127679220 /nfs/dbraw/zinc/67/92/20/1127679220.db2.gz KTBLYUSXMHHTLD-UHFFFAOYSA-N -1 3 337.360 3.909 20 0 EHADHM Cc1ccc([O-])c(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)c1 ZINC000026386581 1127771507 /nfs/dbraw/zinc/77/15/07/1127771507.db2.gz BMKPSQISFOYXLT-UHFFFAOYSA-N -1 3 326.396 3.938 20 0 EHADHM COc1ccc([C@@H]([N-]c2nc3ccccc3o2)c2nccn2C)cc1 ZINC000029403778 1127800094 /nfs/dbraw/zinc/80/00/94/1127800094.db2.gz CUBJGJQCIMUSFF-QGZVFWFLSA-N -1 3 334.379 3.771 20 0 EHADHM Cc1ccc(C(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)c([O-])c1 ZINC000031285673 1127832888 /nfs/dbraw/zinc/83/28/88/1127832888.db2.gz BDQZOICRYNIOHW-CYBMUJFWSA-N -1 3 338.407 3.540 20 0 EHADHM Cc1ccsc1CN(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000034872362 1127868542 /nfs/dbraw/zinc/86/85/42/1127868542.db2.gz YLBPLLDCNPCYJK-UHFFFAOYSA-N -1 3 339.420 3.671 20 0 EHADHM Cc1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c([O-])c1 ZINC000043689068 1127925036 /nfs/dbraw/zinc/92/50/36/1127925036.db2.gz REMWQNGGTFOXMZ-UHFFFAOYSA-N -1 3 335.407 3.597 20 0 EHADHM C[C@@H](O)C[C@H](CNC(=O)c1cc([O-])c2ccccc2c1)c1ccccc1 ZINC000472309794 1127932263 /nfs/dbraw/zinc/93/22/63/1127932263.db2.gz IRQHTWQDAJLQSS-DNVCBOLYSA-N -1 3 349.430 3.830 20 0 EHADHM COc1ccc(-c2ccc(-c3noc(-c4cc(=O)[n-]cn4)n3)cc2)cc1 ZINC001212360603 1127980030 /nfs/dbraw/zinc/98/00/30/1127980030.db2.gz HMSHRYSUBZDDKB-UHFFFAOYSA-N -1 3 346.346 3.575 20 0 EHADHM CC(=O)CCc1ccc(OCC(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000063340479 1128142934 /nfs/dbraw/zinc/14/29/34/1128142934.db2.gz ZMYPZLGILXWKRG-UHFFFAOYSA-N -1 3 347.798 3.585 20 0 EHADHM CC(C)(C)c1nsc([N-]C(=O)c2sccc2Br)n1 ZINC000068072245 1128258179 /nfs/dbraw/zinc/25/81/79/1128258179.db2.gz YSTRAKGFNVMBLQ-UHFFFAOYSA-N -1 3 346.275 3.912 20 0 EHADHM CCCCc1nc(NC(=O)[C@@H]2C[C@]2(C)C(C)C)c(C(=O)OCC)[n-]1 ZINC001128074154 1128493537 /nfs/dbraw/zinc/49/35/37/1128493537.db2.gz PBPUIVMORIMIFU-KPZWWZAWSA-N -1 3 335.448 3.550 20 0 EHADHM CCCCc1nc(NC(=O)[C@H]2C[C@@]2(C)C(C)C)c(C(=O)OCC)[n-]1 ZINC001128074157 1128493615 /nfs/dbraw/zinc/49/36/15/1128493615.db2.gz PBPUIVMORIMIFU-XIKOKIGWSA-N -1 3 335.448 3.550 20 0 EHADHM CCc1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])n[nH]1 ZINC000303811674 1128698446 /nfs/dbraw/zinc/69/84/46/1128698446.db2.gz NQJFSVXZSBEJTJ-UHFFFAOYSA-N -1 3 337.379 3.509 20 0 EHADHM CO[C@H](C)c1nc(CNC(=O)c2cc([O-])c3ccccc3c2)cs1 ZINC000354816909 1128813534 /nfs/dbraw/zinc/81/35/34/1128813534.db2.gz XNYMVGTYLOHKCU-LLVKDONJSA-N -1 3 342.420 3.639 20 0 EHADHM O=S(=O)([N-]Cc1ccccc1Cl)c1ccc(Cl)cc1F ZINC000007375256 1128863381 /nfs/dbraw/zinc/86/33/81/1128863381.db2.gz KIBNIPVAEKTRQM-UHFFFAOYSA-N -1 3 334.199 3.611 20 0 EHADHM O=C(c1c([O-])cccc1O)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC001648810717 1120045729 /nfs/dbraw/zinc/04/57/29/1120045729.db2.gz JWLGNULQLKQEMN-CYBMUJFWSA-N -1 3 349.839 3.758 20 0 EHADHM O=C(N[C@@H](CCc1ccccc1)c1ccccn1)c1ccccc1[O-] ZINC001648861023 1120056648 /nfs/dbraw/zinc/05/66/48/1120056648.db2.gz OBWXFGIJWMIJDN-IBGZPJMESA-N -1 3 332.403 3.891 20 0 EHADHM Cc1ccc([O-])c(C(=O)Nc2nn(CC(F)F)c3ccccc23)c1 ZINC001648978342 1120316828 /nfs/dbraw/zinc/31/68/28/1120316828.db2.gz MUUVBFYFBOUVLL-UHFFFAOYSA-N -1 3 331.322 3.568 20 0 EHADHM O=C(Nc1cccc(NCc2cc([O-])cc(F)c2)c1)c1ccoc1 ZINC000185593270 1120420468 /nfs/dbraw/zinc/42/04/68/1120420468.db2.gz BMLRFZFXCLKXCZ-UHFFFAOYSA-N -1 3 326.327 3.989 20 0 EHADHM [O-]c1cc(F)cc(CNc2cc(F)ccc2OC[C@H]2CCCO2)c1 ZINC000185595644 1120420589 /nfs/dbraw/zinc/42/05/89/1120420589.db2.gz LFOCTXTZLSUWRD-MRXNPFEDSA-N -1 3 335.350 3.840 20 0 EHADHM CCc1ccc([O-])c(C(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000185971046 1120437549 /nfs/dbraw/zinc/43/75/49/1120437549.db2.gz CXAAOGHZRXZSRC-GOSISDBHSA-N -1 3 345.826 3.822 20 0 EHADHM COC(=O)c1cnc(SCc2nc3ccccc3c(C)c2Cl)[n-]1 ZINC000187589883 1120504507 /nfs/dbraw/zinc/50/45/07/1120504507.db2.gz LPZPLRSHXGFFIG-UHFFFAOYSA-N -1 3 347.827 3.999 20 0 EHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)CCCC(F)(F)F)cc1F ZINC000494362931 1120539441 /nfs/dbraw/zinc/53/94/41/1120539441.db2.gz DUCQNRJKAUKKOA-SECBINFHSA-N -1 3 345.333 3.673 20 0 EHADHM Cc1ccc(C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)c([O-])c1 ZINC000152595569 1120742330 /nfs/dbraw/zinc/74/23/30/1120742330.db2.gz OPUUOUNWZNAOGY-LJQANCHMSA-N -1 3 336.366 3.754 20 0 EHADHM CC(C)CN(Cn1[n-]c(-c2ccccn2)nc1=S)CC(C)(C)C ZINC000761832632 1120975097 /nfs/dbraw/zinc/97/50/97/1120975097.db2.gz WNHMBKNCUINJGO-UHFFFAOYSA-N -1 3 333.505 3.964 20 0 EHADHM Cc1cc(=O)[n-]c(CSc2nnc(Nc3cccc(F)c3)s2)n1 ZINC000761860501 1120996432 /nfs/dbraw/zinc/99/64/32/1120996432.db2.gz KZXQSJSEQKDGLN-UHFFFAOYSA-N -1 3 349.416 3.517 20 0 EHADHM Cc1cc(=O)[n-]c(CSc2ncnc3sc4c(c32)CCCC4)n1 ZINC000761852142 1120997393 /nfs/dbraw/zinc/99/73/93/1120997393.db2.gz JGDSGVXWDCLAHY-UHFFFAOYSA-N -1 3 344.465 3.666 20 0 EHADHM CCCCSc1nnc(SCc2nc(C)cc(=O)[n-]2)s1 ZINC000761861687 1120998913 /nfs/dbraw/zinc/99/89/13/1120998913.db2.gz SVJTZHKSTNYMIK-UHFFFAOYSA-N -1 3 328.488 3.527 20 0 EHADHM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000053457977 1121000536 /nfs/dbraw/zinc/00/05/36/1121000536.db2.gz ADKRTWYAMMMZAP-NSHDSACASA-N -1 3 342.345 3.640 20 0 EHADHM CCN(Cc1cccc(Cl)c1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000053458311 1121001079 /nfs/dbraw/zinc/00/10/79/1121001079.db2.gz YCYSOMRSUYLESB-UHFFFAOYSA-N -1 3 340.810 3.844 20 0 EHADHM CC(C)(C)OC(=O)NC(C)(C)CCC(=O)Nc1cccc([O-])c1F ZINC000762315976 1121246214 /nfs/dbraw/zinc/24/62/14/1121246214.db2.gz IHRYXWYIDGGHGP-UHFFFAOYSA-N -1 3 340.395 3.553 20 0 EHADHM CCS[C@@H](C)c1noc(CO[N-]C(=O)CCC2CCCCC2)n1 ZINC000153602353 1121396182 /nfs/dbraw/zinc/39/61/82/1121396182.db2.gz PSIUKYPODROZGL-LBPRGKRZSA-N -1 3 341.477 3.792 20 0 EHADHM [O-]c1coc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc12 ZINC000915663617 1121577364 /nfs/dbraw/zinc/57/73/64/1121577364.db2.gz ZXQUHEKQTAAIAX-UHFFFAOYSA-N -1 3 330.208 3.536 20 0 EHADHM Cc1cc(-n2cccn2)ccc1COC(=O)c1cccc(Cl)c1[O-] ZINC001127382680 1121603562 /nfs/dbraw/zinc/60/35/62/1121603562.db2.gz KRQODNYZIPPDKM-UHFFFAOYSA-N -1 3 342.782 3.897 20 0 EHADHM 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CC[C@H](NC(=O)c1nnc2ccccc2c1[O-])c1cccc(Cl)c1 ZINC000732268307 1130907722 /nfs/dbraw/zinc/90/77/22/1130907722.db2.gz HFHMSLNFQNEBAE-AWEZNQCLSA-N -1 3 341.798 3.870 20 0 EHADHM Cc1nonc1C(=O)[N-]c1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000733873019 1131086889 /nfs/dbraw/zinc/08/68/89/1131086889.db2.gz CIIFQEFMNSRCAO-UHFFFAOYSA-N -1 3 340.408 3.633 20 0 EHADHM CCOC(=O)c1ccc(NC(=O)[C@H](C)Cc2ccc(F)cc2)c([O-])c1 ZINC000740927905 1131559097 /nfs/dbraw/zinc/55/90/97/1131559097.db2.gz WDKVQEKVPJGHLH-GFCCVEGCSA-N -1 3 345.370 3.525 20 0 EHADHM O=C(N[C@@H](CC1CC1)c1ccccc1)c1nnc2ccccc2c1[O-] ZINC000742112755 1131687995 /nfs/dbraw/zinc/68/79/95/1131687995.db2.gz IGXJXXFLAFLHKK-KRWDZBQOSA-N -1 3 333.391 3.607 20 0 EHADHM O=C([N-]c1c2nsnc2ccc1Cl)c1cc(F)ccc1F ZINC000742203809 1131696457 /nfs/dbraw/zinc/69/64/57/1131696457.db2.gz SHTIBDQHMWNEER-UHFFFAOYSA-N -1 3 325.727 3.875 20 0 EHADHM Cc1cc(CO[N-]C(=O)CCOc2ccccc2)c2ccccc2n1 ZINC000742359654 1131709228 /nfs/dbraw/zinc/70/92/28/1131709228.db2.gz 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COc1ccc(-c2ccc(Nc3ccc(-c4nn[n-]n4)cc3)cn2)cc1 ZINC001175425101 1132666024 /nfs/dbraw/zinc/66/60/24/1132666024.db2.gz MEYPZSOLLNFRMD-UHFFFAOYSA-N -1 3 344.378 3.681 20 0 EHADHM Fc1cc(C(F)(F)F)c(F)cc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175430186 1132666601 /nfs/dbraw/zinc/66/66/01/1132666601.db2.gz JIGFLQVUFYTXDY-UHFFFAOYSA-N -1 3 341.243 3.907 20 0 EHADHM Fc1cc(Br)ccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175429891 1132667052 /nfs/dbraw/zinc/66/70/52/1132667052.db2.gz UGORXTYLYVKQPF-UHFFFAOYSA-N -1 3 334.152 3.512 20 0 EHADHM Fc1cc(Nc2ccc(-c3nn[n-]n3)cc2)cc(F)c1OCC1CC1 ZINC001175431567 1132667706 /nfs/dbraw/zinc/66/77/06/1132667706.db2.gz JFPKHKVYPWLHKU-UHFFFAOYSA-N -1 3 343.337 3.677 20 0 EHADHM COC(=O)[C@H](CC1CCCCC1)Nc1ccc2c(c1)[N-]C(=S)C2 ZINC001169164200 1132684768 /nfs/dbraw/zinc/68/47/68/1132684768.db2.gz ZFZZBOOFLUBXTK-INIZCTEOSA-N -1 3 332.469 3.906 20 0 EHADHM [O-]c1cc(Nc2nc(Br)cn3ccnc23)ccc1Cl ZINC001212588678 1132722716 /nfs/dbraw/zinc/72/27/16/1132722716.db2.gz 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1132904880 /nfs/dbraw/zinc/90/48/80/1132904880.db2.gz BCWKDTAQZITBSV-UHFFFAOYSA-N -1 3 329.581 3.955 20 0 EHADHM CCc1cc2c(CN[C@@](C)(CC)C(F)(F)F)cc(=O)oc2cc1[O-] ZINC000746485656 1133044840 /nfs/dbraw/zinc/04/48/40/1133044840.db2.gz ZMEHZQZWSHRLJT-INIZCTEOSA-N -1 3 343.345 3.882 20 0 EHADHM CCc1ccc(C(=O)NCC2(c3cccc(F)c3)CCC2)c([O-])c1 ZINC001177310862 1133053801 /nfs/dbraw/zinc/05/38/01/1133053801.db2.gz GQDJBTQFMVNCSG-UHFFFAOYSA-N -1 3 327.399 3.945 20 0 EHADHM O=C(Nc1cncc([O-])c1)C1(Cc2ccncc2)CCC(F)(F)CC1 ZINC001178009055 1133123597 /nfs/dbraw/zinc/12/35/97/1133123597.db2.gz RGFYUQIFVURAPI-UHFFFAOYSA-N -1 3 347.365 3.559 20 0 EHADHM O=C([N-][C@H](c1c(F)cccc1F)C(F)(F)F)C1(F)CCCC1 ZINC000773729230 1133146923 /nfs/dbraw/zinc/14/69/23/1133146923.db2.gz NWHNUIZTOBTMIC-LLVKDONJSA-N -1 3 325.252 3.967 20 0 EHADHM CN(C)C(=O)c1cccc(NC(=O)c2cc3sccc3c([O-])c2)c1 ZINC000773751065 1133180754 /nfs/dbraw/zinc/18/07/54/1133180754.db2.gz WYACIVMAYZNXQL-UHFFFAOYSA-N -1 3 340.404 3.561 20 0 EHADHM CCc1cccc(C(=O)N2CC=C(c3ccc(Cl)nc3)CC2)c1[O-] ZINC000773812023 1133243325 /nfs/dbraw/zinc/24/33/25/1133243325.db2.gz HYXBQMZITMWTKS-UHFFFAOYSA-N -1 3 342.826 3.933 20 0 EHADHM CON(C(=O)c1cccc(C)c1[O-])[C@H]1CCCOc2ccccc21 ZINC000769410062 1133279357 /nfs/dbraw/zinc/27/93/57/1133279357.db2.gz ZXEYPBYBFCKJPW-INIZCTEOSA-N -1 3 327.380 3.618 20 0 EHADHM COc1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1F ZINC000769889319 1133363850 /nfs/dbraw/zinc/36/38/50/1133363850.db2.gz IBHZFTFKMKHRFI-UHFFFAOYSA-N -1 3 337.416 3.933 20 0 EHADHM CCc1cccc(C(=O)Nc2cnc(Br)cc2C)c1[O-] ZINC000769926904 1133368419 /nfs/dbraw/zinc/36/84/19/1133368419.db2.gz UIBINLGDLDLZPS-UHFFFAOYSA-N -1 3 335.201 3.673 20 0 EHADHM COC(=O)c1ccc([O-])cc1NC(=O)Nc1c(C)cc(C)cc1C ZINC001181509451 1133495835 /nfs/dbraw/zinc/49/58/35/1133495835.db2.gz MQGUGERCYNJEEK-UHFFFAOYSA-N -1 3 328.368 3.748 20 0 EHADHM O=c1ccnc(C=Cc2ccc3ccc(Br)cc3n2)[n-]1 ZINC000771525627 1133571234 /nfs/dbraw/zinc/57/12/34/1133571234.db2.gz RQFTUAXASYWJJQ-AATRIKPKSA-N 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CC(C)Cc1noc(COC(=O)c2cc3sccc3c([O-])c2)n1 ZINC000786139419 1133805157 /nfs/dbraw/zinc/80/51/57/1133805157.db2.gz GSOAYDIZFVGIPP-UHFFFAOYSA-N -1 3 332.381 3.545 20 0 EHADHM C[C@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)N1CCCCCC1 ZINC000786136643 1133811731 /nfs/dbraw/zinc/81/17/31/1133811731.db2.gz JFRDDHYFKCPCAO-LBPRGKRZSA-N -1 3 347.436 3.555 20 0 EHADHM Cc1c(Cl)cc(NC(=O)C23CCCN2CCC3)c([O-])c1Cl ZINC001183556322 1133823007 /nfs/dbraw/zinc/82/30/07/1133823007.db2.gz DVIWFOVKPMXCST-UHFFFAOYSA-N -1 3 329.227 3.574 20 0 EHADHM CCc1ccc(C(=O)Nc2ccccc2C(=O)N(CC)CC)c([O-])c1 ZINC000786819195 1133911628 /nfs/dbraw/zinc/91/16/28/1133911628.db2.gz POJHPAFTDYTEOR-UHFFFAOYSA-N -1 3 340.423 3.689 20 0 EHADHM CC(C)[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccccn1 ZINC000787021192 1133937912 /nfs/dbraw/zinc/93/79/12/1133937912.db2.gz WFJCMEAREIBKHB-LJQANCHMSA-N -1 3 330.403 3.763 20 0 EHADHM CC(C)(C)c1cnc(C[N-]C(=O)C(F)(F)c2ccc(F)cc2)o1 ZINC000746626691 1133938469 /nfs/dbraw/zinc/93/84/69/1133938469.db2.gz 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COc1ccc(COC(=O)CCCc2ccc([O-])c(F)c2)cc1F ZINC000787845653 1134046666 /nfs/dbraw/zinc/04/66/66/1134046666.db2.gz QJQWBQBAXKQOMQ-UHFFFAOYSA-N -1 3 336.334 3.745 20 0 EHADHM CC(=O)Oc1ccc(COC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000787841938 1134047427 /nfs/dbraw/zinc/04/74/27/1134047427.db2.gz CHJZXPBCOIYMPE-UHFFFAOYSA-N -1 3 346.354 3.523 20 0 EHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)ccc1Cl ZINC001185485673 1134096760 /nfs/dbraw/zinc/09/67/60/1134096760.db2.gz XBSPIZHWHBIBGE-UHFFFAOYSA-N -1 3 347.827 3.635 20 0 EHADHM COc1cccc(CCNC(=O)c2cc3sccc3c([O-])c2)c1 ZINC000788282136 1134107472 /nfs/dbraw/zinc/10/74/72/1134107472.db2.gz PMWBNWXJSYQRHC-UHFFFAOYSA-N -1 3 327.405 3.588 20 0 EHADHM O=C(NCCOc1cccc(F)c1)c1cc2sccc2c([O-])c1 ZINC000788280312 1134107681 /nfs/dbraw/zinc/10/76/81/1134107681.db2.gz IXMVIRXETKIVSO-UHFFFAOYSA-N -1 3 331.368 3.555 20 0 EHADHM COc1ccccc1-c1nnc([N-]C(=O)c2cccc(F)c2F)s1 ZINC001273507088 1134122746 /nfs/dbraw/zinc/12/27/46/1134122746.db2.gz UQUOXYMBBOBVKM-UHFFFAOYSA-N -1 3 347.346 3.744 20 0 EHADHM COc1ccccc1-c1nnc([N-]C(=O)c2ccc(SC)o2)s1 ZINC001273507103 1134122919 /nfs/dbraw/zinc/12/29/19/1134122919.db2.gz VHWTXCVHWLPVBX-UHFFFAOYSA-N -1 3 347.421 3.781 20 0 EHADHM Cc1ccc(NC(=O)Nc2ccc3c(c2)OCCO3)c(Cl)c1[O-] ZINC001185971338 1134156146 /nfs/dbraw/zinc/15/61/46/1134156146.db2.gz YZHOHEYSIAJIDS-UHFFFAOYSA-N -1 3 334.759 3.769 20 0 EHADHM COC(=O)[C@H](OC(=O)c1cc2sccc2c([O-])c1)c1ccsc1 ZINC000788996289 1134202826 /nfs/dbraw/zinc/20/28/26/1134202826.db2.gz BBDXRCFHOQHGGS-CQSZACIVSA-N -1 3 348.401 3.740 20 0 EHADHM C[C@@H](CCOC(=O)c1cc(-c2ccco2)[n-]n1)OCc1ccccc1 ZINC000789017882 1134208682 /nfs/dbraw/zinc/20/86/82/1134208682.db2.gz FMZCERJWQGAMKK-AWEZNQCLSA-N -1 3 340.379 3.822 20 0 EHADHM C[C@@H](CCOC(=O)c1cc(-c2ccco2)n[n-]1)OCc1ccccc1 ZINC000789017882 1134208688 /nfs/dbraw/zinc/20/86/88/1134208688.db2.gz FMZCERJWQGAMKK-AWEZNQCLSA-N -1 3 340.379 3.822 20 0 EHADHM CCC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C)c(F)cc1F 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CC(=O)c1cccc([O-])c1NC(=O)c1ccccc1-n1nc(C)cc1C ZINC001188241802 1134441370 /nfs/dbraw/zinc/44/13/70/1134441370.db2.gz FMTNJJBDTCOKGA-UHFFFAOYSA-N -1 3 349.390 3.650 20 0 EHADHM C[C@H]([N-]C(=O)C(F)(F)C1CCOCC1)c1ccc(F)cc1Cl ZINC000790655981 1134452432 /nfs/dbraw/zinc/45/24/32/1134452432.db2.gz POEVADOMPRBHMG-VIFPVBQESA-N -1 3 335.753 3.718 20 0 EHADHM O=C([N-]C1(c2ccc(F)cc2F)CCC1)C(F)(F)C1CCOCC1 ZINC000790835608 1134472895 /nfs/dbraw/zinc/47/28/95/1134472895.db2.gz KKJOXUUMXNHUDJ-UHFFFAOYSA-N -1 3 345.336 3.522 20 0 EHADHM COc1cccc([C@H]2CSCCN2C(=O)c2c(C)cccc2[O-])c1 ZINC001188648350 1134486458 /nfs/dbraw/zinc/48/64/58/1134486458.db2.gz FZLXUBHNNWFZHK-MRXNPFEDSA-N -1 3 343.448 3.640 20 0 EHADHM O=S(=O)([N-][C@H]1CC12CCCCC2)c1c(Cl)cccc1Cl ZINC001188711591 1134499255 /nfs/dbraw/zinc/49/92/55/1134499255.db2.gz YMGMSRBVCRZQNC-LBPRGKRZSA-N -1 3 334.268 3.995 20 0 EHADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C1CCCCCC1 ZINC001189072369 1134541718 /nfs/dbraw/zinc/54/17/18/1134541718.db2.gz VZNPWVSBCUEBSH-SNVBAGLBSA-N -1 3 335.391 3.741 20 0 EHADHM Cc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1OC(C)C ZINC000775233943 1134564083 /nfs/dbraw/zinc/56/40/83/1134564083.db2.gz OWNKPPDOZNQHEL-BOPFTXTBSA-N -1 3 336.391 3.505 20 0 EHADHM O=C([N-]c1cc(F)c(F)cc1F)c1nc(Br)ccc1F ZINC000791574529 1134569932 /nfs/dbraw/zinc/56/99/32/1134569932.db2.gz PRMKEKVNSGXNNK-UHFFFAOYSA-N -1 3 349.081 3.653 20 0 EHADHM O=S(=O)(Cc1cccc(F)c1F)[N-]c1cccc(F)c1Cl ZINC001189454836 1134590078 /nfs/dbraw/zinc/59/00/78/1134590078.db2.gz SUUWGTCTGKRRGX-UHFFFAOYSA-N -1 3 335.734 3.699 20 0 EHADHM O=C(c1cccc(OC(F)(F)F)c1[O-])N1CCCC(F)(F)CC1 ZINC001189749332 1134620527 /nfs/dbraw/zinc/62/05/27/1134620527.db2.gz RBBUBKKMSJRFQP-UHFFFAOYSA-N -1 3 339.260 3.552 20 0 EHADHM O=C(Nc1cccnc1N1CCCC1)c1cc([O-])c2ccccc2c1 ZINC000792057327 1134646857 /nfs/dbraw/zinc/64/68/57/1134646857.db2.gz BDDNBQOGOMQPRJ-UHFFFAOYSA-N -1 3 333.391 3.793 20 0 EHADHM Cc1sc2[n-]c([C@H](C)OC(=O)C3(F)CCCC3)nc(=O)c2c1C ZINC000772789230 1134657961 /nfs/dbraw/zinc/65/79/61/1134657961.db2.gz CRFFRXVBJPLKQP-VIFPVBQESA-N -1 3 338.404 3.900 20 0 EHADHM O=C(Nc1cc(Cl)ccc1[O-])c1nc(Br)ccc1F ZINC000792261389 1134675345 /nfs/dbraw/zinc/67/53/45/1134675345.db2.gz VKCVRFDMYXBSDZ-UHFFFAOYSA-N -1 3 345.555 3.595 20 0 EHADHM CCC[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1F)c1ccccc1 ZINC001190401570 1134691538 /nfs/dbraw/zinc/69/15/38/1134691538.db2.gz KWAPACFYROJTPB-CQSZACIVSA-N -1 3 343.370 3.924 20 0 EHADHM CC(=O)c1cccc([O-])c1NC(=O)c1sc(C)nc1C(F)(F)F ZINC001190499453 1134706842 /nfs/dbraw/zinc/70/68/42/1134706842.db2.gz ADVWXYXWLFCXED-UHFFFAOYSA-N -1 3 344.314 3.631 20 0 EHADHM Cc1ccc(NCc2nc(-c3ccccc3)cs2)cc1-c1nnn[n-]1 ZINC001170248214 1134731656 /nfs/dbraw/zinc/73/16/56/1134731656.db2.gz PZXAIKURHIEQGC-UHFFFAOYSA-N -1 3 348.435 3.911 20 0 EHADHM Cc1ccc(NCc2nc(-c3ccccc3)cs2)cc1-c1nn[n-]n1 ZINC001170248214 1134731658 /nfs/dbraw/zinc/73/16/58/1134731658.db2.gz PZXAIKURHIEQGC-UHFFFAOYSA-N -1 3 348.435 3.911 20 0 EHADHM CCOc1ccc(C(=O)Nc2c([O-])cccc2C(C)=O)c(F)c1F ZINC001190711707 1134737268 /nfs/dbraw/zinc/73/72/68/1134737268.db2.gz ZNQZFYUDZOPJFH-UHFFFAOYSA-N -1 3 335.306 3.524 20 0 EHADHM CCC[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cnc(CC)s1 ZINC001191346732 1134847386 /nfs/dbraw/zinc/84/73/86/1134847386.db2.gz CTRNXWNYZNRRFR-QWHCGFSZSA-N -1 3 330.519 3.590 20 0 EHADHM COC(=O)c1cccc([O-])c1NC(=O)Nc1ccc(Cl)c(C)c1 ZINC001191773067 1134912493 /nfs/dbraw/zinc/91/24/93/1134912493.db2.gz WMMXURUGIKRBCE-UHFFFAOYSA-N -1 3 334.759 3.785 20 0 EHADHM CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1[O-])c1cccc(N)n1 ZINC001192340567 1135001453 /nfs/dbraw/zinc/00/14/53/1135001453.db2.gz QKJCHECSOLXEKH-GOSISDBHSA-N -1 3 341.455 3.794 20 0 EHADHM CSCCO[N-]C(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC000794179528 1135025195 /nfs/dbraw/zinc/02/51/95/1135025195.db2.gz BLMOLZGJJUHKJB-SFHVURJKSA-N -1 3 329.465 3.814 20 0 EHADHM Cc1ccccc1C(C)(C)NC(=O)c1ccc(Br)c(=O)[n-]1 ZINC001193162496 1135110906 /nfs/dbraw/zinc/11/09/06/1135110906.db2.gz YSJDYCGYRFIHDJ-UHFFFAOYSA-N -1 3 349.228 3.523 20 0 EHADHM O=C([N-]CC1(C(F)(F)F)CC1)C(F)(F)c1cccc(Cl)c1 ZINC000804603284 1135135440 /nfs/dbraw/zinc/13/54/40/1135135440.db2.gz OGTVIEVBSCALEK-UHFFFAOYSA-N -1 3 327.680 3.891 20 0 EHADHM CC(C)c1csc(C(=O)[N-]c2nc(F)c(F)c(Cl)c2F)n1 ZINC001193504730 1135148525 /nfs/dbraw/zinc/14/85/25/1135148525.db2.gz CLVISFWKPCIDQZ-UHFFFAOYSA-N -1 3 335.738 3.985 20 0 EHADHM O=S(=O)(CC1CCC1)[N-]c1ccc(C(F)(F)F)c(F)c1F ZINC001193523433 1135152419 /nfs/dbraw/zinc/15/24/19/1135152419.db2.gz FNZJIHDJQMOYKN-UHFFFAOYSA-N -1 3 329.290 3.525 20 0 EHADHM COC(=O)c1cc(Cl)cc(NC(=O)OC2CCCCC2)c1[O-] ZINC001193632954 1135162540 /nfs/dbraw/zinc/16/25/40/1135162540.db2.gz WMLDOZMPBVCMJJ-UHFFFAOYSA-N -1 3 327.764 3.713 20 0 EHADHM Cc1ccc(S(=O)(=O)[N-]c2cccnc2Cl)c2ccccc12 ZINC001193825436 1135189089 /nfs/dbraw/zinc/18/90/89/1135189089.db2.gz WWVWAJJCXLYHGT-UHFFFAOYSA-N -1 3 332.812 3.997 20 0 EHADHM COC(=O)c1ccc([O-])cc1NC(=O)Oc1ccc2ccccc2c1 ZINC001194660686 1135302792 /nfs/dbraw/zinc/30/27/92/1135302792.db2.gz FZZHNUUEMWGYKZ-UHFFFAOYSA-N -1 3 337.331 3.943 20 0 EHADHM O=C([N-]c1cc(C2CCCC2)no1)c1ncc(Br)s1 ZINC001195054026 1135359788 /nfs/dbraw/zinc/35/97/88/1135359788.db2.gz CROUIBGQMLOMGH-UHFFFAOYSA-N -1 3 342.218 3.804 20 0 EHADHM CCCCCCN1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001195298633 1135409109 /nfs/dbraw/zinc/40/91/09/1135409109.db2.gz FTUVBWNNDTXSND-CQSZACIVSA-N -1 3 328.378 3.677 20 0 EHADHM Cc1onc(-c2cccs2)c1C(=O)[N-]c1cc(C(F)(F)F)no1 ZINC001130564588 1135412506 /nfs/dbraw/zinc/41/25/06/1135412506.db2.gz LHSCLWVXORHNOF-UHFFFAOYSA-N -1 3 343.286 3.971 20 0 EHADHM CCOC([O-])=NC(=S)Nc1ccccc1OCc1ccccc1 ZINC001195484346 1135431729 /nfs/dbraw/zinc/43/17/29/1135431729.db2.gz MBBFLLISNYQBOW-UHFFFAOYSA-N -1 3 330.409 3.709 20 0 EHADHM CCOC(=O)N=C([S-])Nc1ccccc1OCc1ccccc1 ZINC001195484346 1135431732 /nfs/dbraw/zinc/43/17/32/1135431732.db2.gz MBBFLLISNYQBOW-UHFFFAOYSA-N -1 3 330.409 3.709 20 0 EHADHM CCOC(=O)[N-]C(=S)Nc1ccccc1OCc1ccccc1 ZINC001195484346 1135431737 /nfs/dbraw/zinc/43/17/37/1135431737.db2.gz MBBFLLISNYQBOW-UHFFFAOYSA-N -1 3 330.409 3.709 20 0 EHADHM O=C(Nc1cccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c1)C(F)(F)F ZINC000806564414 1135461004 /nfs/dbraw/zinc/46/10/04/1135461004.db2.gz RAYDFSQUNNNHFR-QPJJXVBHSA-N -1 3 349.312 3.731 20 0 EHADHM Cc1cc(NS(=O)(=O)c2ccc([O-])cc2)c(Cl)cc1Cl ZINC001195794938 1135470591 /nfs/dbraw/zinc/47/05/91/1135470591.db2.gz PIEPTSCGUNJYOH-UHFFFAOYSA-N -1 3 332.208 3.808 20 0 EHADHM CC(=O)c1cccc([O-])c1NC(=O)c1ccc(OC(C)C)cc1F ZINC001195802080 1135472707 /nfs/dbraw/zinc/47/27/07/1135472707.db2.gz PDFWJFHZIHTOMN-UHFFFAOYSA-N -1 3 331.343 3.773 20 0 EHADHM C[C@H]1CC(C)(C)c2cccc([N-]S(=O)(=O)c3ccc(O)cc3)c21 ZINC001195802879 1135472714 /nfs/dbraw/zinc/47/27/14/1135472714.db2.gz PHQHRZDDGCIGAJ-LBPRGKRZSA-N -1 3 331.437 3.978 20 0 EHADHM COc1ccc(F)c(S(=O)(=O)[N-][C@H]2CCCCc3ccccc32)c1 ZINC001196802521 1135612139 /nfs/dbraw/zinc/61/21/39/1135612139.db2.gz GHFSIVYYONHJRI-KRWDZBQOSA-N -1 3 349.427 3.580 20 0 EHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccnc(C(C)(C)C)c2)c(C)c1 ZINC001196849376 1135618852 /nfs/dbraw/zinc/61/88/52/1135618852.db2.gz XLJNNFVIVQAONI-UHFFFAOYSA-N -1 3 348.468 3.805 20 0 EHADHM COc1cccc(C(C)=CC(=O)Nc2cccc(C(C)=O)c2[O-])c1 ZINC000808187475 1135628125 /nfs/dbraw/zinc/62/81/25/1135628125.db2.gz FESPRMICUVXIDN-ZRDIBKRKSA-N -1 3 325.364 3.645 20 0 EHADHM CC(C)P(CCNC(=S)Nc1ccc(C(=O)[O-])cc1)C(C)C ZINC001197147830 1135654215 /nfs/dbraw/zinc/65/42/15/1135654215.db2.gz RBUVFFIHINKQBA-UHFFFAOYSA-N -1 3 340.429 3.970 20 0 EHADHM O=C([N-]c1nc(Cc2ccccc2)ns1)c1cnc(Cl)c(F)c1 ZINC000808380540 1135657186 /nfs/dbraw/zinc/65/71/86/1135657186.db2.gz IMNDZSCYWWARGA-UHFFFAOYSA-N -1 3 348.790 3.569 20 0 EHADHM S=c1[n-]nc(Cc2cccs2)n1CN1CCC[C@@H]1C1CCC1 ZINC000102885654 1135688650 /nfs/dbraw/zinc/68/86/50/1135688650.db2.gz VUYIAQCIIGHJKR-CQSZACIVSA-N -1 3 334.514 3.815 20 0 EHADHM O=S(=O)([N-]c1ccc(Cl)nc1Cl)c1ccc2occc2c1 ZINC001198817384 1135859396 /nfs/dbraw/zinc/85/93/96/1135859396.db2.gz CGVRICWNERCXIH-UHFFFAOYSA-N -1 3 343.191 3.935 20 0 EHADHM O=C([N-]c1cc(F)cc2cccnc21)c1cnoc1C(F)(F)F ZINC001199055016 1135876210 /nfs/dbraw/zinc/87/62/10/1135876210.db2.gz ITNFPDLAEBXBGY-UHFFFAOYSA-N -1 3 325.221 3.633 20 0 EHADHM Cc1c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cccc1N(C)C ZINC000776091462 1135952782 /nfs/dbraw/zinc/95/27/82/1135952782.db2.gz LTMQYDPZYKMGPU-UHFFFAOYSA-N -1 3 332.469 3.985 20 0 EHADHM Cc1ccc(N2CCOC2=O)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000810460658 1135964251 /nfs/dbraw/zinc/96/42/51/1135964251.db2.gz WZHRGLYHHLEYSJ-UHFFFAOYSA-N -1 3 346.770 3.563 20 0 EHADHM CC1(C)[C@H](OC(=O)c2cc3cc(Cl)sc3[n-]2)[C@H]2CCO[C@H]21 ZINC000810591855 1135979380 /nfs/dbraw/zinc/97/93/80/1135979380.db2.gz IMAKDNVWLUPFHS-XXILOJSOSA-N -1 3 325.817 3.853 20 0 EHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3ccc(C(C)C)cn3)c2)n1 ZINC000810597163 1135980193 /nfs/dbraw/zinc/98/01/93/1135980193.db2.gz USGFKMYXGVIPIX-UHFFFAOYSA-N -1 3 349.390 3.895 20 0 EHADHM COC(=O)[C@H]1CCCC[C@@H]1OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810649465 1135989671 /nfs/dbraw/zinc/98/96/71/1135989671.db2.gz DBEBDCKWDQXVNM-ONGXEEELSA-N -1 3 341.816 3.771 20 0 EHADHM Cc1nnc([C@@H](C)OC(=O)c2cc3cc(Cl)sc3[n-]2)s1 ZINC000811393602 1136082012 /nfs/dbraw/zinc/08/20/12/1136082012.db2.gz AYXJAVDPDBZVHZ-RXMQYKEDSA-N -1 3 327.818 3.961 20 0 EHADHM O=C(O[C@@H]1Cc2ccccc2C1=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811395159 1136082034 /nfs/dbraw/zinc/08/20/34/1136082034.db2.gz XKBYVRDTXSKHNP-GFCCVEGCSA-N -1 3 331.780 3.847 20 0 EHADHM COc1ccc(Cl)cc1[C@H](O)CNCc1cccc([O-])c1Cl ZINC001202399270 1136142458 /nfs/dbraw/zinc/14/24/58/1136142458.db2.gz XEEFIVBEMSBUOI-CQSZACIVSA-N -1 3 342.222 3.531 20 0 EHADHM C[C@H](CC(=O)[N-]OC/C=C/Cl)c1ccc(Br)cc1 ZINC000812407204 1136209172 /nfs/dbraw/zinc/20/91/72/1136209172.db2.gz HGQIPNXHDCYVCH-CYZOPGGISA-N -1 3 332.625 3.743 20 0 EHADHM COC(=O)Nc1ccc(C(=O)OC[C@@H]2C[C@H]2c2ccccc2)cc1[O-] ZINC000812587626 1136224259 /nfs/dbraw/zinc/22/42/59/1136224259.db2.gz JSFBMOJTOJAJPR-GJZGRUSLSA-N -1 3 341.363 3.531 20 0 EHADHM CCN(Cc1cc2cc(Cl)ccc2nc1Cl)[C@@H](C)C(=O)[O-] ZINC000852730174 1136481077 /nfs/dbraw/zinc/48/10/77/1136481077.db2.gz OWXHCGXLPQEVCP-VIFPVBQESA-N -1 3 327.211 3.837 20 0 EHADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@H](C)C(C)(F)F)nc(=O)c2c1C ZINC000815493580 1136603727 /nfs/dbraw/zinc/60/37/27/1136603727.db2.gz KKJBOXRAVCAWEE-YUMQZZPRSA-N -1 3 344.383 3.909 20 0 EHADHM O=C([N-]c1nc(-c2ccc(F)cc2)ns1)c1cccc(F)c1F ZINC000112595411 1136639819 /nfs/dbraw/zinc/63/98/19/1136639819.db2.gz OKWIJIKCKNMKPH-UHFFFAOYSA-N -1 3 335.310 3.875 20 0 EHADHM C[C@](O)(C(=O)Nc1cc(Cl)ccc1[O-])c1ccc(Cl)cc1 ZINC000815850592 1136644425 /nfs/dbraw/zinc/64/44/25/1136644425.db2.gz SNVSSDXLVUCMNQ-OAHLLOKOSA-N -1 3 326.179 3.545 20 0 EHADHM C[C@H](NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)c1ccccc1 ZINC001135440481 1136689621 /nfs/dbraw/zinc/68/96/21/1136689621.db2.gz DGBPAJCJYDIGBL-NSHDSACASA-N -1 3 347.440 3.981 20 0 EHADHM O=C(Nc1cccc(C2OCCO2)c1)c1cc([O-])c2ccccc2c1 ZINC000816366256 1136705946 /nfs/dbraw/zinc/70/59/46/1136705946.db2.gz FCVVUJVFHXVMSP-UHFFFAOYSA-N -1 3 335.359 3.843 20 0 EHADHM [O-]c1ccc(F)c(CNC[C@@H](O)c2ccc(C(F)(F)F)cc2)c1F ZINC000816612849 1136741638 /nfs/dbraw/zinc/74/16/38/1136741638.db2.gz ZETMCFJJENWSRN-CQSZACIVSA-N -1 3 347.283 3.512 20 0 EHADHM [O-]c1ccc(F)c(CNC[C@H](O)c2ccc(C(F)(F)F)cc2)c1F ZINC000816612848 1136741743 /nfs/dbraw/zinc/74/17/43/1136741743.db2.gz ZETMCFJJENWSRN-AWEZNQCLSA-N -1 3 347.283 3.512 20 0 EHADHM O=S(=O)([N-][C@@H](c1cccs1)C1CC1)c1ccc(Cl)cc1F ZINC000010683237 1136742765 /nfs/dbraw/zinc/74/27/65/1136742765.db2.gz QKPXDEHASSGZOR-CQSZACIVSA-N -1 3 345.848 3.970 20 0 EHADHM O=S(=O)([N-][C@H](c1cccs1)C1CC1)c1ccc(Cl)s1 ZINC000010683167 1136745372 /nfs/dbraw/zinc/74/53/72/1136745372.db2.gz GHHMBKQLCSKNBK-LBPRGKRZSA-N -1 3 333.887 3.893 20 0 EHADHM C[C@H](NC(=O)c1ccccc1[O-])c1ccc(C(F)(F)F)nc1Cl ZINC000816760896 1136752118 /nfs/dbraw/zinc/75/21/18/1136752118.db2.gz LCGZFWYQKGVPEG-QMMMGPOBSA-N -1 3 344.720 3.950 20 0 EHADHM O=C([N-]c1ccccc1SCc1ccccc1)c1cc(CO)on1 ZINC001135699199 1136754840 /nfs/dbraw/zinc/75/48/40/1136754840.db2.gz LUWSOHDAYFGUBA-UHFFFAOYSA-N -1 3 340.404 3.712 20 0 EHADHM O=C([N-]c1nc2c(s1)CCCCC2)c1conc1C(F)(F)F ZINC000816906727 1136764688 /nfs/dbraw/zinc/76/46/88/1136764688.db2.gz SPLMEBLRHPEKGC-UHFFFAOYSA-N -1 3 331.319 3.671 20 0 EHADHM CC[C@@H](C)CO[N-]C(=O)CCc1nnc(-c2cc3ccccc3o2)o1 ZINC000816978046 1136769262 /nfs/dbraw/zinc/76/92/62/1136769262.db2.gz LVHKKCFSOXGPAY-GFCCVEGCSA-N -1 3 343.383 3.509 20 0 EHADHM CCCCC[C@H]1CCCCN1C(=O)c1nnc2ccccc2c1[O-] ZINC000856270356 1136771141 /nfs/dbraw/zinc/77/11/41/1136771141.db2.gz LSTWXVPYTVSBCF-AWEZNQCLSA-N -1 3 327.428 3.910 20 0 EHADHM O=C([N-][C@@H](c1ccccc1)C(F)F)C(F)(F)Cc1ccccc1 ZINC000817224828 1136784526 /nfs/dbraw/zinc/78/45/26/1136784526.db2.gz ZBPPANMJZDUITP-AWEZNQCLSA-N -1 3 325.305 3.987 20 0 EHADHM Cc1cc(NCc2cc(=O)oc3c(C)c([O-])ccc23)nn1C(C)C ZINC000817384767 1136802487 /nfs/dbraw/zinc/80/24/87/1136802487.db2.gz 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3.622 20 0 EHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1cc2ccccc2s1 ZINC000337311864 1138528457 /nfs/dbraw/zinc/52/84/57/1138528457.db2.gz VJTVOGDLAXQXPD-SECBINFHSA-N -1 3 336.438 3.546 20 0 EHADHM CCCCCc1ccc(NC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)cc1 ZINC000887615598 1138544908 /nfs/dbraw/zinc/54/49/08/1138544908.db2.gz LMWUXLBUVKTKBP-UHFFFAOYSA-N -1 3 346.456 3.525 20 0 EHADHM COc1cccc(CO[C@H](C)C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000337382036 1138551585 /nfs/dbraw/zinc/55/15/85/1138551585.db2.gz FDTXUAHFIUFPMS-LLVKDONJSA-N -1 3 335.787 3.598 20 0 EHADHM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)Nc2n[n-]c(-c3ccco3)n2)o1 ZINC000337397218 1138555927 /nfs/dbraw/zinc/55/59/27/1138555927.db2.gz NRJLKMPULISVTB-KXNHARMFSA-N -1 3 338.367 3.523 20 0 EHADHM O=C(Nc1cnccc1Oc1ccccc1)c1cc(F)cc2n[n-]nc21 ZINC000337433600 1138567806 /nfs/dbraw/zinc/56/78/06/1138567806.db2.gz HCTQDEWMCOPNMS-UHFFFAOYSA-N -1 3 349.325 3.537 20 0 EHADHM O=C(Nc1cc(C(F)(F)F)ccc1F)c1cc(F)cc2n[n-]nc21 ZINC000337485454 1138583051 /nfs/dbraw/zinc/58/30/51/1138583051.db2.gz HOFVXDKSGFDSET-UHFFFAOYSA-N -1 3 342.227 3.507 20 0 EHADHM O=C(NC[C@H]1CCC=CCCC1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000890046981 1139305967 /nfs/dbraw/zinc/30/59/67/1139305967.db2.gz HHQYTPRFMBCWFV-LBPRGKRZSA-N -1 3 346.377 3.673 20 0 EHADHM CN(C[C@@H]1CCCOC1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000177407479 1139618609 /nfs/dbraw/zinc/61/86/09/1139618609.db2.gz ZEBHYNFRXRCIRP-HNNXBMFYSA-N -1 3 341.407 3.683 20 0 EHADHM CCc1cc(=O)[n-]c(CN[C@H](CC(F)(F)F)c2ccc(F)cc2)n1 ZINC000180553784 1139844699 /nfs/dbraw/zinc/84/46/99/1139844699.db2.gz ZDXMZJYWXZJPLU-CYBMUJFWSA-N -1 3 343.324 3.667 20 0 EHADHM Cc1nscc1C(=O)[N-]c1nnc(C(C)(C)c2ccccc2)s1 ZINC000181960770 1139942417 /nfs/dbraw/zinc/94/24/17/1139942417.db2.gz FQNCLDZXLPCTAI-UHFFFAOYSA-N -1 3 344.465 3.881 20 0 EHADHM COc1ccc(N[C@@H](C)c2ccc(C)c(C)c2)cc1[N-]S(C)(=O)=O ZINC000182731904 1139989221 /nfs/dbraw/zinc/98/92/21/1139989221.db2.gz HYDIYRLOJPRXBJ-AWEZNQCLSA-N -1 3 348.468 3.857 20 0 EHADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(OC2CCOCC2)cc1 ZINC000266579710 1140704823 /nfs/dbraw/zinc/70/48/23/1140704823.db2.gz PRLWSWKBLBXMLG-UHFFFAOYSA-N -1 3 347.798 3.856 20 0 EHADHM CCS[C@H]1CCCC[C@@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000267424289 1140789501 /nfs/dbraw/zinc/78/95/01/1140789501.db2.gz STWMVQDNUFNXHV-YOEHRIQHSA-N -1 3 330.453 3.735 20 0 EHADHM CSc1ccsc1C(=O)[N-]c1nnc(CC(F)(F)F)s1 ZINC000269050000 1141055404 /nfs/dbraw/zinc/05/54/04/1141055404.db2.gz ZUSUNLQUAAHDRA-UHFFFAOYSA-N -1 3 339.389 3.679 20 0 EHADHM CC[C@@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1nc(C)cs1 ZINC000270824541 1141274501 /nfs/dbraw/zinc/27/45/01/1141274501.db2.gz PCBDIJHFXXUSAS-GFCCVEGCSA-N -1 3 328.359 3.950 20 0 EHADHM O=C(C[C@H]1CCCCCN1C(=O)c1ccccc1[O-])c1ccco1 ZINC000271371260 1141352682 /nfs/dbraw/zinc/35/26/82/1141352682.db2.gz JEMQVFAZGOUVHV-CQSZACIVSA-N -1 3 327.380 3.643 20 0 EHADHM C[C@@]1(CNC(=O)c2cc(=O)c3ccccc3[n-]2)CCCc2ccccc21 ZINC000271676048 1141417265 /nfs/dbraw/zinc/41/72/65/1141417265.db2.gz BUPHTPZBWYFDTM-QFIPXVFZSA-N -1 3 346.430 3.964 20 0 EHADHM [O-]c1cccc(CNCc2ccccc2Cn2ccnc2)c1Cl ZINC000339186620 1141521978 /nfs/dbraw/zinc/52/19/78/1141521978.db2.gz HHAMVNNDHXAIBV-UHFFFAOYSA-N -1 3 327.815 3.580 20 0 EHADHM COc1cccc(C(=O)Nc2ccc(Br)c(C)c2)c1[O-] ZINC000019807266 212070825 /nfs/dbraw/zinc/07/08/25/212070825.db2.gz LNRHYZXWDNXNNI-UHFFFAOYSA-N -1 3 336.185 3.724 20 0 EHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000122412479 222082368 /nfs/dbraw/zinc/08/23/68/222082368.db2.gz FKIQZMIDYCMLIX-UHFFFAOYSA-N -1 3 346.452 3.699 20 0 EHADHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735922244 598911158 /nfs/dbraw/zinc/91/11/58/598911158.db2.gz DKJSNPAILSMSQZ-ROUUACIJSA-N -1 3 348.406 3.699 20 0 EHADHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735922244 598911159 /nfs/dbraw/zinc/91/11/59/598911159.db2.gz DKJSNPAILSMSQZ-ROUUACIJSA-N -1 3 348.406 3.699 20 0 EHADHM Fc1cccc(Cl)c1[C@H]1C[C@H]1Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737659188 598972035 /nfs/dbraw/zinc/97/20/35/598972035.db2.gz AAIJOTOGPKYKFF-SMDDNHRTSA-N -1 3 329.766 3.627 20 0 EHADHM CC[C@H]1CCC[C@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000736398439 598973953 /nfs/dbraw/zinc/97/39/53/598973953.db2.gz AEVOVAVFQGBFIL-UWVGGRQHSA-N -1 3 340.353 3.661 20 0 EHADHM CC[C@H]1CCC[C@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000736398439 598973955 /nfs/dbraw/zinc/97/39/55/598973955.db2.gz AEVOVAVFQGBFIL-UWVGGRQHSA-N -1 3 340.353 3.661 20 0 EHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)C(C)(C)C ZINC000735828866 599014980 /nfs/dbraw/zinc/01/49/80/599014980.db2.gz AFLOOEMAFBPVGW-AWEZNQCLSA-N -1 3 343.475 3.534 20 0 EHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](C)C(C)(C)C ZINC000735828866 599014982 /nfs/dbraw/zinc/01/49/82/599014982.db2.gz AFLOOEMAFBPVGW-AWEZNQCLSA-N -1 3 343.475 3.534 20 0 EHADHM C[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1cccs1 ZINC000736136544 599038503 /nfs/dbraw/zinc/03/85/03/599038503.db2.gz GGDPMRHDNHXPSX-SSDOTTSWSA-N -1 3 340.334 3.515 20 0 EHADHM C[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1cccs1 ZINC000736136544 599038506 /nfs/dbraw/zinc/03/85/06/599038506.db2.gz GGDPMRHDNHXPSX-SSDOTTSWSA-N -1 3 340.334 3.515 20 0 EHADHM C[C@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)Cc1cccs1 ZINC000820276133 599040883 /nfs/dbraw/zinc/04/08/83/599040883.db2.gz SNTGMCCFJAELQX-JTQLQIEISA-N -1 3 333.848 3.872 20 0 EHADHM C[C@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)Cc1cccs1 ZINC000820276133 599040886 /nfs/dbraw/zinc/04/08/86/599040886.db2.gz SNTGMCCFJAELQX-JTQLQIEISA-N -1 3 333.848 3.872 20 0 EHADHM C[C@@H](COCc1ccccc1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820286360 599079875 /nfs/dbraw/zinc/07/98/75/599079875.db2.gz AOIRHPNANHISSZ-LBPRGKRZSA-N -1 3 343.818 3.537 20 0 EHADHM C[C@@H](COCc1ccccc1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820286360 599079877 /nfs/dbraw/zinc/07/98/77/599079877.db2.gz AOIRHPNANHISSZ-LBPRGKRZSA-N -1 3 343.818 3.537 20 0 EHADHM C/C(=C/C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C)C(C)(C)C ZINC000819765265 599146017 /nfs/dbraw/zinc/14/60/17/599146017.db2.gz NDSDUWBTVGAANW-KAMYIIQDSA-N -1 3 341.459 3.596 20 0 EHADHM C/C(=C/C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C)C(C)(C)C ZINC000819765265 599146020 /nfs/dbraw/zinc/14/60/20/599146020.db2.gz NDSDUWBTVGAANW-KAMYIIQDSA-N -1 3 341.459 3.596 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H](C)c1ccccc1C ZINC000737290201 599161273 /nfs/dbraw/zinc/16/12/73/599161273.db2.gz CTVXNIDKYLXWKI-CQSZACIVSA-N -1 3 335.411 3.616 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](C)c1ccccc1C ZINC000737290201 599161276 /nfs/dbraw/zinc/16/12/76/599161276.db2.gz CTVXNIDKYLXWKI-CQSZACIVSA-N -1 3 335.411 3.616 20 0 EHADHM Fc1cc(-c2nnn[n-]2)ccc1SCCOC1CCCCCC1 ZINC000737645016 599173454 /nfs/dbraw/zinc/17/34/54/599173454.db2.gz NSMDHPZFLSAMRJ-UHFFFAOYSA-N -1 3 336.436 3.837 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1SCCOC1CCCCCC1 ZINC000737645016 599173456 /nfs/dbraw/zinc/17/34/56/599173456.db2.gz NSMDHPZFLSAMRJ-UHFFFAOYSA-N -1 3 336.436 3.837 20 0 EHADHM Cc1nc(SCCCOc2ccc(-c3nn[n-]n3)cc2)sc1C ZINC000737482677 599174174 /nfs/dbraw/zinc/17/41/74/599174174.db2.gz KRJXPPPZIZJVPW-UHFFFAOYSA-N -1 3 347.469 3.501 20 0 EHADHM Clc1cccc(N2CCC[C@H]2c2cccs2)c1-c1nnn[n-]1 ZINC000822585563 599218879 /nfs/dbraw/zinc/21/88/79/599218879.db2.gz FFXSDDMIOOQBDZ-NSHDSACASA-N -1 3 331.832 3.923 20 0 EHADHM Clc1cccc(N2CCC[C@H]2c2cccs2)c1-c1nn[n-]n1 ZINC000822585563 599218881 /nfs/dbraw/zinc/21/88/81/599218881.db2.gz FFXSDDMIOOQBDZ-NSHDSACASA-N -1 3 331.832 3.923 20 0 EHADHM CCCC[C@H](CC)CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736440020 599221813 /nfs/dbraw/zinc/22/18/13/599221813.db2.gz WZOXQXNCTRZZQG-KGLIPLIRSA-N -1 3 329.448 3.650 20 0 EHADHM CCCC[C@H](CC)CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736440020 599221815 /nfs/dbraw/zinc/22/18/15/599221815.db2.gz WZOXQXNCTRZZQG-KGLIPLIRSA-N -1 3 329.448 3.650 20 0 EHADHM O=C([O-])c1ccc(CNCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000426684619 597135278 /nfs/dbraw/zinc/13/52/78/597135278.db2.gz AEEJPQDKZPHNEC-UHFFFAOYSA-N -1 3 325.286 3.573 20 0 EHADHM CCCCC[C@@H]1CCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821048321 607291178 /nfs/dbraw/zinc/29/11/78/607291178.db2.gz ABOIGRWYKFIQJH-CQSZACIVSA-N -1 3 342.447 3.752 20 0 EHADHM CCCCC[C@@H]1CCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821048321 607291179 /nfs/dbraw/zinc/29/11/79/607291179.db2.gz ABOIGRWYKFIQJH-CQSZACIVSA-N -1 3 342.447 3.752 20 0 EHADHM Cc1c(NC(=O)c2cc(Cl)ccc2Cl)cccc1-c1nnn[n-]1 ZINC000822110155 607295241 /nfs/dbraw/zinc/29/52/41/607295241.db2.gz XTYKPOJWYYLABX-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1c(NC(=O)c2cc(Cl)ccc2Cl)cccc1-c1nn[n-]n1 ZINC000822110155 607295242 /nfs/dbraw/zinc/29/52/42/607295242.db2.gz XTYKPOJWYYLABX-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM CSc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1Cl ZINC000821984052 607316355 /nfs/dbraw/zinc/31/63/55/607316355.db2.gz LRRLMVXCGNTPIX-UHFFFAOYSA-N -1 3 337.861 3.916 20 0 EHADHM CSc1ccc(Cl)cc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000821984654 607314210 /nfs/dbraw/zinc/31/42/10/607314210.db2.gz RCEWTFIANZUKIZ-UHFFFAOYSA-N -1 3 337.861 3.916 20 0 EHADHM CSc1ccc(Cl)cc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000821984654 607314211 /nfs/dbraw/zinc/31/42/11/607314211.db2.gz RCEWTFIANZUKIZ-UHFFFAOYSA-N -1 3 337.861 3.916 20 0 EHADHM Clc1ccc(N[C@@H]2CSc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000737573349 599269613 /nfs/dbraw/zinc/26/96/13/599269613.db2.gz GHUUEYHSPKJCAV-CYBMUJFWSA-N -1 3 329.816 3.779 20 0 EHADHM Clc1ccc(N[C@@H]2CSc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000737573349 599269614 /nfs/dbraw/zinc/26/96/14/599269614.db2.gz GHUUEYHSPKJCAV-CYBMUJFWSA-N -1 3 329.816 3.779 20 0 EHADHM Fc1cc(NCc2ccc(-c3nnn[n-]3)s2)ccc1OC1CCC1 ZINC000822753053 607318986 /nfs/dbraw/zinc/31/89/86/607318986.db2.gz AVKXLXBKSSEFIH-UHFFFAOYSA-N -1 3 345.403 3.611 20 0 EHADHM FC(F)(F)c1ccc(NCc2cccs2)cc1-c1nnn[n-]1 ZINC000822729037 607345235 /nfs/dbraw/zinc/34/52/35/607345235.db2.gz RNKRHJWOWNDGNP-UHFFFAOYSA-N -1 3 325.319 3.559 20 0 EHADHM FC(F)(F)c1ccc(NCc2cccs2)cc1-c1nn[n-]n1 ZINC000822729037 607345236 /nfs/dbraw/zinc/34/52/36/607345236.db2.gz RNKRHJWOWNDGNP-UHFFFAOYSA-N -1 3 325.319 3.559 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1NCCOc1cccc2ccccc21 ZINC000737641947 598241262 /nfs/dbraw/zinc/24/12/62/598241262.db2.gz ZPQLMXNJTBDIOZ-UHFFFAOYSA-N -1 3 349.369 3.650 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1NCc1c(Cl)cccc1Cl ZINC000737639457 598243321 /nfs/dbraw/zinc/24/33/21/598243321.db2.gz BYGJPDJYLLWSFA-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM CC(=CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1Cl ZINC000729356473 598440428 /nfs/dbraw/zinc/44/04/28/598440428.db2.gz CIYFSGLYQJJCTL-KHPPLWFESA-N -1 3 339.786 3.562 20 0 EHADHM CC(=CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000729356473 598440429 /nfs/dbraw/zinc/44/04/29/598440429.db2.gz CIYFSGLYQJJCTL-KHPPLWFESA-N -1 3 339.786 3.562 20 0 EHADHM Clc1cc(NCC2(c3ccccc3)CC2)ccc1-c1nnn[n-]1 ZINC000737566556 598508479 /nfs/dbraw/zinc/50/84/79/598508479.db2.gz UZMSQDUSMCGKKG-UHFFFAOYSA-N -1 3 325.803 3.664 20 0 EHADHM Clc1cc(NCC2(c3ccccc3)CC2)ccc1-c1nn[n-]n1 ZINC000737566556 598508481 /nfs/dbraw/zinc/50/84/81/598508481.db2.gz UZMSQDUSMCGKKG-UHFFFAOYSA-N -1 3 325.803 3.664 20 0 EHADHM Fc1ccc([C@@H](Nc2ncccc2-c2nnn[n-]2)C2CCCC2)cc1 ZINC000737650476 598521635 /nfs/dbraw/zinc/52/16/35/598521635.db2.gz PBFHLAMNMMMWNB-INIZCTEOSA-N -1 3 338.390 3.744 20 0 EHADHM Fc1ccc([C@@H](Nc2ncccc2-c2nn[n-]n2)C2CCCC2)cc1 ZINC000737650476 598521636 /nfs/dbraw/zinc/52/16/36/598521636.db2.gz PBFHLAMNMMMWNB-INIZCTEOSA-N -1 3 338.390 3.744 20 0 EHADHM Cc1ccc(C[C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)c(C)c1 ZINC000737334844 598537949 /nfs/dbraw/zinc/53/79/49/598537949.db2.gz MYHDZTOVWUAROO-GFCCVEGCSA-N -1 3 342.834 3.575 20 0 EHADHM Cc1ccc(C[C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)c(C)c1 ZINC000737334844 598537951 /nfs/dbraw/zinc/53/79/51/598537951.db2.gz MYHDZTOVWUAROO-GFCCVEGCSA-N -1 3 342.834 3.575 20 0 EHADHM C[C@H](Cc1ccco1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736066568 598572468 /nfs/dbraw/zinc/57/24/68/598572468.db2.gz OPXBDAQCVMOGMA-SECBINFHSA-N -1 3 337.305 3.522 20 0 EHADHM C[C@H](Cc1ccco1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736066568 598572470 /nfs/dbraw/zinc/57/24/70/598572470.db2.gz OPXBDAQCVMOGMA-SECBINFHSA-N -1 3 337.305 3.522 20 0 EHADHM CC(C)c1noc([C@@H](C)SCc2ccc(F)cc2-c2nnn[n-]2)n1 ZINC000735953740 598695838 /nfs/dbraw/zinc/69/58/38/598695838.db2.gz ZRUHABBJWIOZHG-SECBINFHSA-N -1 3 348.407 3.507 20 0 EHADHM CC(C)c1noc([C@@H](C)SCc2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000735953740 598695839 /nfs/dbraw/zinc/69/58/39/598695839.db2.gz ZRUHABBJWIOZHG-SECBINFHSA-N -1 3 348.407 3.507 20 0 EHADHM CC(C)c1noc([C@H](C)SCc2ccc(F)cc2-c2nnn[n-]2)n1 ZINC000735953741 598696341 /nfs/dbraw/zinc/69/63/41/598696341.db2.gz ZRUHABBJWIOZHG-VIFPVBQESA-N -1 3 348.407 3.507 20 0 EHADHM CC(C)c1noc([C@H](C)SCc2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000735953741 598696343 /nfs/dbraw/zinc/69/63/43/598696343.db2.gz ZRUHABBJWIOZHG-VIFPVBQESA-N -1 3 348.407 3.507 20 0 EHADHM CC(C)(C)CCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000735602128 598734339 /nfs/dbraw/zinc/73/43/39/598734339.db2.gz ABCWQDQITVLGQK-UHFFFAOYSA-N -1 3 341.459 3.574 20 0 EHADHM CC(C)(C)CCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000735602128 598734340 /nfs/dbraw/zinc/73/43/40/598734340.db2.gz ABCWQDQITVLGQK-UHFFFAOYSA-N -1 3 341.459 3.574 20 0 EHADHM C[C@H]1CN(c2ccc(Cl)cc2-c2nnn[n-]2)Cc2ccccc21 ZINC000736286965 598791427 /nfs/dbraw/zinc/79/14/27/598791427.db2.gz CLZOIQDGXQYPKG-NSHDSACASA-N -1 3 325.803 3.644 20 0 EHADHM C[C@H]1CN(c2ccc(Cl)cc2-c2nn[n-]n2)Cc2ccccc21 ZINC000736286965 598791428 /nfs/dbraw/zinc/79/14/28/598791428.db2.gz CLZOIQDGXQYPKG-NSHDSACASA-N -1 3 325.803 3.644 20 0 EHADHM Cc1ccc2c(c1)CC[C@H]2Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000737378488 598794755 /nfs/dbraw/zinc/79/47/55/598794755.db2.gz SRFOOCASYYKBBT-OAHLLOKOSA-N -1 3 325.803 3.928 20 0 EHADHM Cc1ccc2c(c1)CC[C@H]2Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000737378488 598794756 /nfs/dbraw/zinc/79/47/56/598794756.db2.gz SRFOOCASYYKBBT-OAHLLOKOSA-N -1 3 325.803 3.928 20 0 EHADHM Fc1ccc2c(c1)CC[C@H]2Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000737666286 598795001 /nfs/dbraw/zinc/79/50/01/598795001.db2.gz KBYWCUAKXNFWDB-CQSZACIVSA-N -1 3 329.766 3.759 20 0 EHADHM Fc1ccc2c(c1)CC[C@H]2Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000737666286 598795003 /nfs/dbraw/zinc/79/50/03/598795003.db2.gz KBYWCUAKXNFWDB-CQSZACIVSA-N -1 3 329.766 3.759 20 0 EHADHM C[C@@H](c1ccc(-c2nnn[n-]2)cc1)N(Cc1ccccc1)CC(F)F ZINC000736194580 598818505 /nfs/dbraw/zinc/81/85/05/598818505.db2.gz BEYKGYOLZLQYFN-ZDUSSCGKSA-N -1 3 343.381 3.695 20 0 EHADHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N(Cc1ccccc1)CC(F)F ZINC000736194580 598818506 /nfs/dbraw/zinc/81/85/06/598818506.db2.gz BEYKGYOLZLQYFN-ZDUSSCGKSA-N -1 3 343.381 3.695 20 0 EHADHM FC(F)(F)Cc1ccc(NCc2ccccc2-c2nnn[n-]2)cc1 ZINC000737627977 599331484 /nfs/dbraw/zinc/33/14/84/599331484.db2.gz SHLIKCLMRYUXDC-UHFFFAOYSA-N -1 3 333.317 3.584 20 0 EHADHM FC(F)(F)Cc1ccc(NCc2ccccc2-c2nn[n-]n2)cc1 ZINC000737627977 599331487 /nfs/dbraw/zinc/33/14/87/599331487.db2.gz SHLIKCLMRYUXDC-UHFFFAOYSA-N -1 3 333.317 3.584 20 0 EHADHM C[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)[C@@H](c2ccco2)C1 ZINC000820727158 599359299 /nfs/dbraw/zinc/35/92/99/599359299.db2.gz HYANMFLDGOHHBW-BXUZGUMPSA-N -1 3 327.363 3.576 20 0 EHADHM C[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)[C@@H](c2ccco2)C1 ZINC000820727158 599359301 /nfs/dbraw/zinc/35/93/01/599359301.db2.gz HYANMFLDGOHHBW-BXUZGUMPSA-N -1 3 327.363 3.576 20 0 EHADHM c1ccc2c(c1)CCC[C@H]2Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000738439610 599394697 /nfs/dbraw/zinc/39/46/97/599394697.db2.gz ASYRBUKCYDCDTG-QGZVFWFLSA-N -1 3 342.406 3.904 20 0 EHADHM c1ccc2c(c1)CCC[C@H]2Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000738439610 599394702 /nfs/dbraw/zinc/39/47/02/599394702.db2.gz ASYRBUKCYDCDTG-QGZVFWFLSA-N -1 3 342.406 3.904 20 0 EHADHM CC[C@@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccccc1 ZINC000736367375 599419433 /nfs/dbraw/zinc/41/94/33/599419433.db2.gz APEZCTCXGISIQN-MRXNPFEDSA-N -1 3 330.395 3.978 20 0 EHADHM CC[C@@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccccc1 ZINC000736367375 599419436 /nfs/dbraw/zinc/41/94/36/599419436.db2.gz APEZCTCXGISIQN-MRXNPFEDSA-N -1 3 330.395 3.978 20 0 EHADHM CCCCc1noc([C@H](C)SCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000736466816 599451243 /nfs/dbraw/zinc/45/12/43/599451243.db2.gz ONBUZNOKXMMFLV-NSHDSACASA-N -1 3 344.444 3.587 20 0 EHADHM CCCCc1noc([C@H](C)SCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736466816 599451246 /nfs/dbraw/zinc/45/12/46/599451246.db2.gz ONBUZNOKXMMFLV-NSHDSACASA-N -1 3 344.444 3.587 20 0 EHADHM Cc1ccc(OCCCCNc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000822263310 599480417 /nfs/dbraw/zinc/48/04/17/599480417.db2.gz LPYDMNUWDHSDCY-UHFFFAOYSA-N -1 3 341.390 3.585 20 0 EHADHM Cc1ccc(OCCCCNc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000822263310 599480421 /nfs/dbraw/zinc/48/04/21/599480421.db2.gz LPYDMNUWDHSDCY-UHFFFAOYSA-N -1 3 341.390 3.585 20 0 EHADHM C[C@@H](Nc1c(Cl)cccc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000820450792 599486989 /nfs/dbraw/zinc/48/69/89/599486989.db2.gz PFHGZDDRZRVYPU-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@@H](Nc1c(Cl)cccc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000820450792 599486990 /nfs/dbraw/zinc/48/69/90/599486990.db2.gz PFHGZDDRZRVYPU-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM Cc1ccc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)s1 ZINC000737343362 599521133 /nfs/dbraw/zinc/52/11/33/599521133.db2.gz WAQHHQMPURUMPB-UHFFFAOYSA-N -1 3 339.346 3.868 20 0 EHADHM C[C@@H](SCCOc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000736192443 599523980 /nfs/dbraw/zinc/52/39/80/599523980.db2.gz YZBUIDSZVSOMFC-LLVKDONJSA-N -1 3 332.454 3.801 20 0 EHADHM C[C@@H](SCCOc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000736192443 599523981 /nfs/dbraw/zinc/52/39/81/599523981.db2.gz YZBUIDSZVSOMFC-LLVKDONJSA-N -1 3 332.454 3.801 20 0 EHADHM CC[C@H](Nc1cccc(F)c1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000736371615 599528645 /nfs/dbraw/zinc/52/86/45/599528645.db2.gz XNMNNRAXECBZMX-ZDUSSCGKSA-N -1 3 333.317 3.847 20 0 EHADHM CC[C@H](Nc1cccc(F)c1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000736371615 599528647 /nfs/dbraw/zinc/52/86/47/599528647.db2.gz XNMNNRAXECBZMX-ZDUSSCGKSA-N -1 3 333.317 3.847 20 0 EHADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)CCCC1CCCC1 ZINC000821388934 599620693 /nfs/dbraw/zinc/62/06/93/599620693.db2.gz BNOPLEQGENOHCH-UHFFFAOYSA-N -1 3 344.415 3.531 20 0 EHADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)CCCC1CCCC1 ZINC000821388934 599620694 /nfs/dbraw/zinc/62/06/94/599620694.db2.gz BNOPLEQGENOHCH-UHFFFAOYSA-N -1 3 344.415 3.531 20 0 EHADHM FC(F)(F)C1CCC(CNc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822714740 599689440 /nfs/dbraw/zinc/68/94/40/599689440.db2.gz RYAQFMUJMBBHNU-UHFFFAOYSA-N -1 3 325.338 3.647 20 0 EHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(Cl)ccc1Cl ZINC000826250257 607428904 /nfs/dbraw/zinc/42/89/04/607428904.db2.gz RNQMCNRARBLXER-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(Cl)ccc1Cl ZINC000826250257 607428906 /nfs/dbraw/zinc/42/89/06/607428906.db2.gz RNQMCNRARBLXER-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM CCOc1ccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1OC ZINC000426738164 600422231 /nfs/dbraw/zinc/42/22/31/600422231.db2.gz TYMKOYWNYDGOCI-KRWDZBQOSA-N -1 3 349.814 3.663 20 0 EHADHM COc1cc([C@H](C)N[C@H](C(=O)[O-])c2ccccc2)ccc1OC(C)C ZINC000737869054 600422724 /nfs/dbraw/zinc/42/27/24/600422724.db2.gz YGDNXZROFZATCL-LIRRHRJNSA-N -1 3 343.423 3.959 20 0 EHADHM CCOc1c(Cl)cc(CN[C@H](C(=O)[O-])c2ccccc2)cc1OC ZINC000262718088 600426496 /nfs/dbraw/zinc/42/64/96/600426496.db2.gz SYRFBEBJIBLURN-INIZCTEOSA-N -1 3 349.814 3.663 20 0 EHADHM O=C([O-])[C@H](NCc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000739498688 600436028 /nfs/dbraw/zinc/43/60/28/600436028.db2.gz CSABPKUWJXMVPN-CQSZACIVSA-N -1 3 338.176 3.504 20 0 EHADHM CC(C)N(CCOc1ccc(C(=O)[O-])cc1Cl)Cc1ccccn1 ZINC000826951293 600819387 /nfs/dbraw/zinc/81/93/87/600819387.db2.gz DZKQFMREVVGLDU-UHFFFAOYSA-N -1 3 348.830 3.723 20 0 EHADHM C[C@H]1CCN(CCOc2cccc(C(=O)[O-])c2)[C@H](c2ccco2)C1 ZINC000580898371 600862114 /nfs/dbraw/zinc/86/21/14/600862114.db2.gz XSDIZMOYCLKPBQ-YOEHRIQHSA-N -1 3 329.396 3.830 20 0 EHADHM COc1ccc([C@@H](N[C@@H](C(=O)[O-])c2ccccc2F)C2CC2)cc1 ZINC000832246429 600893489 /nfs/dbraw/zinc/89/34/89/600893489.db2.gz VITDUYRWUKSGBR-ZWKOTPCHSA-N -1 3 329.371 3.701 20 0 EHADHM Cc1cc(OC(C)C)ccc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000822210422 607475507 /nfs/dbraw/zinc/47/55/07/607475507.db2.gz APBWOKOFMTZQGT-UHFFFAOYSA-N -1 3 341.390 3.714 20 0 EHADHM Cc1cc(OC(C)C)ccc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000822210422 607475510 /nfs/dbraw/zinc/47/55/10/607475510.db2.gz APBWOKOFMTZQGT-UHFFFAOYSA-N -1 3 341.390 3.714 20 0 EHADHM O=C([O-])c1cccc(CN2CCC[C@H]2CC(=O)c2cccs2)c1 ZINC000833328802 601201035 /nfs/dbraw/zinc/20/10/35/601201035.db2.gz SRVIRINUOCAOJM-HNNXBMFYSA-N -1 3 329.421 3.684 20 0 EHADHM C[C@H](N[C@H](C(=O)[O-])c1ccccc1F)c1cccc(N2CCCC2)c1 ZINC000827717347 601499679 /nfs/dbraw/zinc/49/96/79/601499679.db2.gz GRJYTGFAAQSONJ-LIRRHRJNSA-N -1 3 342.414 3.902 20 0 EHADHM O=C([O-])CC1(NCc2nc(-c3ccc(Cl)cc3)no2)CCCCC1 ZINC000833205443 601554375 /nfs/dbraw/zinc/55/43/75/601554375.db2.gz HLAXVTPLQFZNSI-UHFFFAOYSA-N -1 3 349.818 3.657 20 0 EHADHM COc1ccc([C@@H]2CCCN2Cc2ccsc2C(=O)[O-])cc1OC ZINC000583817869 601826461 /nfs/dbraw/zinc/82/64/61/601826461.db2.gz DWMUIXZVAQNZAE-AWEZNQCLSA-N -1 3 347.436 3.801 20 0 EHADHM O=C([O-])CC1(NCc2coc(-c3cccc(F)c3)n2)CCCCC1 ZINC000833206054 601884573 /nfs/dbraw/zinc/88/45/73/601884573.db2.gz WMCLJLGLMQQGNV-UHFFFAOYSA-N -1 3 332.375 3.748 20 0 EHADHM O=C([O-])c1ccc(CN2CC[C@@H](OCCCc3ccccc3)C2)s1 ZINC000565105118 601962948 /nfs/dbraw/zinc/96/29/48/601962948.db2.gz NXJUHSYEYRVRRW-MRXNPFEDSA-N -1 3 345.464 3.670 20 0 EHADHM CO[C@H](CN[C@H](C(=O)[O-])c1ccccc1F)c1ccccc1Cl ZINC000831519381 601978550 /nfs/dbraw/zinc/97/85/50/601978550.db2.gz NJZQMYRQOVHGBT-CVEARBPZSA-N -1 3 337.778 3.582 20 0 EHADHM Cc1nc([C@@H](C)N2CC[C@@H](C(=O)[O-])C2)oc1-c1ccc(Cl)cc1 ZINC000576234147 602015083 /nfs/dbraw/zinc/01/50/83/602015083.db2.gz XFRFJAPNOCHZJM-DGCLKSJQSA-N -1 3 334.803 3.771 20 0 EHADHM CCOc1ccc(-c2nc(CN[C@H](C(=O)[O-])C(C)(C)C)cs2)cc1 ZINC000830054178 602224847 /nfs/dbraw/zinc/22/48/47/602224847.db2.gz QRBCEGTYESOTCQ-OAHLLOKOSA-N -1 3 348.468 3.798 20 0 EHADHM O=C([O-])N1CCC[C@@H]1C1CCN(c2ccnc3ccccc32)CC1 ZINC000740521499 602463338 /nfs/dbraw/zinc/46/33/38/602463338.db2.gz ROWDNOAHUVYHEJ-QGZVFWFLSA-N -1 3 325.412 3.594 20 0 EHADHM Cc1ccc(C)c([C@@H](C)N(C)C(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826284054 607660721 /nfs/dbraw/zinc/66/07/21/607660721.db2.gz ISHKTQZXLRFNRS-OAHLLOKOSA-N -1 3 349.438 3.625 20 0 EHADHM Cc1ccc(C)c([C@@H](C)N(C)C(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826284054 607660723 /nfs/dbraw/zinc/66/07/23/607660723.db2.gz ISHKTQZXLRFNRS-OAHLLOKOSA-N -1 3 349.438 3.625 20 0 EHADHM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2cnc(-c3ccccc3)s2)C1 ZINC000825272641 604229568 /nfs/dbraw/zinc/22/95/68/604229568.db2.gz MQCZNTPRPDQVNI-DZGCQCFKSA-N -1 3 345.468 3.678 20 0 EHADHM CCOc1ccc(-c2nc(CNC(C)(C)CC(=O)[O-])cs2)cc1 ZINC000830053990 604444661 /nfs/dbraw/zinc/44/46/61/604444661.db2.gz HRPUNJDDCMARQG-UHFFFAOYSA-N -1 3 334.441 3.552 20 0 EHADHM C[C@@H](Oc1ccc(CN(C)Cc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC000833538756 604519200 /nfs/dbraw/zinc/51/92/00/604519200.db2.gz VIGWHUCYHYODAF-CYBMUJFWSA-N -1 3 333.815 3.824 20 0 EHADHM O=C([O-])[C@@H]1CC12CCN(Cc1ccccc1OC1CCCC1)CC2 ZINC000833771402 604648397 /nfs/dbraw/zinc/64/83/97/604648397.db2.gz DNAVMDJCJPRVBJ-KRWDZBQOSA-N -1 3 329.440 3.695 20 0 EHADHM C[C@H](c1nnc(-c2cccs2)o1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833550188 604946814 /nfs/dbraw/zinc/94/68/14/604946814.db2.gz KEQJCIBYNCKYQH-VXGBXAGGSA-N -1 3 349.456 3.682 20 0 EHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2csc(-c3ccccn3)n2)C1 ZINC000392005606 604949525 /nfs/dbraw/zinc/94/95/25/604949525.db2.gz RDFQOMUEHUKRDA-ZDUSSCGKSA-N -1 3 345.468 3.528 20 0 EHADHM C[C@@]1(NCc2ncc(-c3ccccc3F)o2)CCCC[C@H]1C(=O)[O-] ZINC000833567975 605063018 /nfs/dbraw/zinc/06/30/18/605063018.db2.gz CBVYFSFYVXEPDT-SCLBCKFNSA-N -1 3 332.375 3.604 20 0 EHADHM C[C@H](C[C@H](O)c1cccs1)Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824390989 607732594 /nfs/dbraw/zinc/73/25/94/607732594.db2.gz FYKYRLYCWBNTFM-RNCFNFMXSA-N -1 3 349.847 3.506 20 0 EHADHM C[C@H](C[C@H](O)c1cccs1)Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824390989 607732596 /nfs/dbraw/zinc/73/25/96/607732596.db2.gz FYKYRLYCWBNTFM-RNCFNFMXSA-N -1 3 349.847 3.506 20 0 EHADHM C/C(=C/CN[C@@H](COc1ccccc1F)c1ccccc1)C(=O)[O-] ZINC000833382831 605089594 /nfs/dbraw/zinc/08/95/94/605089594.db2.gz IQRPXXXQPIUWHU-IFCKCIONSA-N -1 3 329.371 3.566 20 0 EHADHM Cc1nc(C)c([C@@H](C)NCc2ccc([C@H](C)NC(=O)[O-])cc2)s1 ZINC000830716740 605119965 /nfs/dbraw/zinc/11/99/65/605119965.db2.gz XERUDZJHPUDVRJ-WDEREUQCSA-N -1 3 333.457 3.939 20 0 EHADHM CCN(C[C@@H]1CCCO1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000563279413 605126869 /nfs/dbraw/zinc/12/68/69/605126869.db2.gz UKVGRWWYEBBSMK-HZMBPMFUSA-N -1 3 332.227 3.620 20 0 EHADHM C/C(=C/CN[C@H](Cc1ccc(Cl)cc1)c1ccccn1)C(=O)[O-] ZINC000833386597 605269414 /nfs/dbraw/zinc/26/94/14/605269414.db2.gz YNVFZTWQNWVSSK-HOFZKYPUSA-N -1 3 330.815 3.639 20 0 EHADHM C[C@@H](NC(=O)C[C@@H]1CCCCC1(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000824479657 607745381 /nfs/dbraw/zinc/74/53/81/607745381.db2.gz PJAFCYJOCDJPHU-CJNGLKHVSA-N -1 3 341.459 3.650 20 0 EHADHM C[C@@H](NC(=O)C[C@@H]1CCCCC1(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000824479657 607745382 /nfs/dbraw/zinc/74/53/82/607745382.db2.gz PJAFCYJOCDJPHU-CJNGLKHVSA-N -1 3 341.459 3.650 20 0 EHADHM C[C@@H]1CC[C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000824915743 607757440 /nfs/dbraw/zinc/75/74/40/607757440.db2.gz IAHQIPFLESBYNZ-SJKOYZFVSA-N -1 3 348.410 3.627 20 0 EHADHM C[C@@H]1CC[C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000824915743 607757441 /nfs/dbraw/zinc/75/74/41/607757441.db2.gz IAHQIPFLESBYNZ-SJKOYZFVSA-N -1 3 348.410 3.627 20 0 EHADHM CCCN(Cc1ncc(-c2ccccc2)o1)C1CCN(C(=O)[O-])CC1 ZINC000826916281 605474498 /nfs/dbraw/zinc/47/44/98/605474498.db2.gz IFGGPIHGASGJEY-UHFFFAOYSA-N -1 3 343.427 3.696 20 0 EHADHM O=C([O-])N1CCC[C@@H](CCN[C@H](c2ccccc2)c2ccccn2)C1 ZINC000834098704 605609424 /nfs/dbraw/zinc/60/94/24/605609424.db2.gz LLVFOJQGDRZLIM-QFBILLFUSA-N -1 3 339.439 3.541 20 0 EHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1Cc2ccccc2[C@H]1C ZINC000822337344 606137412 /nfs/dbraw/zinc/13/74/12/606137412.db2.gz XJQWSTWIGSISQJ-CYBMUJFWSA-N -1 3 342.406 3.805 20 0 EHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1Cc2ccccc2[C@H]1C ZINC000822337344 606137413 /nfs/dbraw/zinc/13/74/13/606137413.db2.gz XJQWSTWIGSISQJ-CYBMUJFWSA-N -1 3 342.406 3.805 20 0 EHADHM Cc1ccnc(Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000822378620 606241725 /nfs/dbraw/zinc/24/17/25/606241725.db2.gz CAPWARDGYDHDBH-UHFFFAOYSA-N -1 3 346.350 3.550 20 0 EHADHM Cc1ccnc(Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000822378620 606241726 /nfs/dbraw/zinc/24/17/26/606241726.db2.gz CAPWARDGYDHDBH-UHFFFAOYSA-N -1 3 346.350 3.550 20 0 EHADHM C[C@H](OC(=O)c1coc2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820518875 606354453 /nfs/dbraw/zinc/35/44/53/606354453.db2.gz MMXJAHKJYUDWFJ-NSHDSACASA-N -1 3 334.335 3.531 20 0 EHADHM C[C@H](OC(=O)c1coc2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820518875 606354454 /nfs/dbraw/zinc/35/44/54/606354454.db2.gz MMXJAHKJYUDWFJ-NSHDSACASA-N -1 3 334.335 3.531 20 0 EHADHM Cc1cccc([C@@H](C)C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822288869 606360885 /nfs/dbraw/zinc/36/08/85/606360885.db2.gz LOGYCQHMYXQVED-ZIAGYGMSSA-N -1 3 336.395 3.583 20 0 EHADHM Cc1cccc([C@@H](C)C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822288869 606360886 /nfs/dbraw/zinc/36/08/86/606360886.db2.gz LOGYCQHMYXQVED-ZIAGYGMSSA-N -1 3 336.395 3.583 20 0 EHADHM CC(C)CC[C@H]1CCCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820074047 606722409 /nfs/dbraw/zinc/72/24/09/606722409.db2.gz YVDKTTLPWBPBBN-MRXNPFEDSA-N -1 3 342.447 3.689 20 0 EHADHM CC(C)CC[C@H]1CCCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820074047 606722411 /nfs/dbraw/zinc/72/24/11/606722411.db2.gz YVDKTTLPWBPBBN-MRXNPFEDSA-N -1 3 342.447 3.689 20 0 EHADHM CC(C)=C(C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000820005596 606847432 /nfs/dbraw/zinc/84/74/32/606847432.db2.gz TVIXZLYTUADFMD-UHFFFAOYSA-N -1 3 345.472 3.882 20 0 EHADHM CC(C)=C(C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000820005596 606847433 /nfs/dbraw/zinc/84/74/33/606847433.db2.gz TVIXZLYTUADFMD-UHFFFAOYSA-N -1 3 345.472 3.882 20 0 EHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)CC2(C)CCCCC2)s1 ZINC000825693783 607794565 /nfs/dbraw/zinc/79/45/65/607794565.db2.gz FIVCOULNRCEVOH-UHFFFAOYSA-N -1 3 333.461 3.790 20 0 EHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)CC2(C)CCCCC2)s1 ZINC000825693783 607794566 /nfs/dbraw/zinc/79/45/66/607794566.db2.gz FIVCOULNRCEVOH-UHFFFAOYSA-N -1 3 333.461 3.790 20 0 EHADHM CN(Cn1ccc(=S)c2ccccc21)c1ccccc1-c1nnn[n-]1 ZINC000825998986 607847016 /nfs/dbraw/zinc/84/70/16/607847016.db2.gz HWFSBRMVKHFKAW-UHFFFAOYSA-N -1 3 348.435 3.645 20 0 EHADHM CN(Cn1ccc(=S)c2ccccc21)c1ccccc1-c1nn[n-]n1 ZINC000825998986 607847017 /nfs/dbraw/zinc/84/70/17/607847017.db2.gz HWFSBRMVKHFKAW-UHFFFAOYSA-N -1 3 348.435 3.645 20 0 EHADHM Cc1cccc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1Cl ZINC000826295852 607860152 /nfs/dbraw/zinc/86/01/52/607860152.db2.gz ASPODMMALKNJFQ-NSHDSACASA-N -1 3 342.786 3.747 20 0 EHADHM Cc1cccc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1Cl ZINC000826295852 607860153 /nfs/dbraw/zinc/86/01/53/607860153.db2.gz ASPODMMALKNJFQ-NSHDSACASA-N -1 3 342.786 3.747 20 0 EHADHM CC(C)c1nccn1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824364936 608012563 /nfs/dbraw/zinc/01/25/63/608012563.db2.gz WIJHVJVFPXOZEH-UHFFFAOYSA-N -1 3 344.422 3.902 20 0 EHADHM CC(C)c1nccn1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824364936 608012564 /nfs/dbraw/zinc/01/25/64/608012564.db2.gz WIJHVJVFPXOZEH-UHFFFAOYSA-N -1 3 344.422 3.902 20 0 EHADHM FC(F)(F)c1cc(NC2CCC(F)(F)CC2)ccc1-c1nnn[n-]1 ZINC000826370505 608053225 /nfs/dbraw/zinc/05/32/25/608053225.db2.gz WFLDDLWTHZSRTL-UHFFFAOYSA-N -1 3 347.291 3.875 20 0 EHADHM FC(F)(F)c1cc(NC2CCC(F)(F)CC2)ccc1-c1nn[n-]n1 ZINC000826370505 608053226 /nfs/dbraw/zinc/05/32/26/608053226.db2.gz WFLDDLWTHZSRTL-UHFFFAOYSA-N -1 3 347.291 3.875 20 0 EHADHM CCC[C@H](C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1)C(C)C ZINC000825225728 608159640 /nfs/dbraw/zinc/15/96/40/608159640.db2.gz WVXRLNKOJDKDJK-LBPRGKRZSA-N -1 3 335.839 3.555 20 0 EHADHM CCC[C@H](C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1)C(C)C ZINC000825225728 608159641 /nfs/dbraw/zinc/15/96/41/608159641.db2.gz WVXRLNKOJDKDJK-LBPRGKRZSA-N -1 3 335.839 3.555 20 0 EHADHM Fc1cccc([C@H]2CCCN2c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000826376717 608372008 /nfs/dbraw/zinc/37/20/08/608372008.db2.gz OUSWOFMYHICUNL-OAHLLOKOSA-N -1 3 345.328 3.626 20 0 EHADHM Fc1cccc([C@H]2CCCN2c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000826376717 608372010 /nfs/dbraw/zinc/37/20/10/608372010.db2.gz OUSWOFMYHICUNL-OAHLLOKOSA-N -1 3 345.328 3.626 20 0 EHADHM CC[C@H](NCc1cccc(-c2nnn[n-]2)c1F)c1cc(F)ccc1F ZINC000825148681 608536853 /nfs/dbraw/zinc/53/68/53/608536853.db2.gz RRRMCLIQWHYTSA-HNNXBMFYSA-N -1 3 347.344 3.525 20 0 EHADHM CC[C@H](NCc1cccc(-c2nn[n-]n2)c1F)c1cc(F)ccc1F ZINC000825148681 608536854 /nfs/dbraw/zinc/53/68/54/608536854.db2.gz RRRMCLIQWHYTSA-HNNXBMFYSA-N -1 3 347.344 3.525 20 0 EHADHM Clc1ccc2c(c1)OCCC[C@@H]2Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826352742 608588126 /nfs/dbraw/zinc/58/81/26/608588126.db2.gz MMJGYIQSJPKLHS-HNNXBMFYSA-N -1 3 341.802 3.846 20 0 EHADHM C[C@@H](N[C@@H](C)c1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824532881 609152549 /nfs/dbraw/zinc/15/25/49/609152549.db2.gz XQTRMEFXJZVXJN-ZJUUUORDSA-N -1 3 347.344 3.696 20 0 EHADHM CCOc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000825643052 609156087 /nfs/dbraw/zinc/15/60/87/609156087.db2.gz GXLHFVBMKALEEO-NSHDSACASA-N -1 3 327.363 3.578 20 0 EHADHM CCOc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000825643052 609156088 /nfs/dbraw/zinc/15/60/88/609156088.db2.gz GXLHFVBMKALEEO-NSHDSACASA-N -1 3 327.363 3.578 20 0 EHADHM Cc1cc(N(C)C)ccc1N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826268767 609160508 /nfs/dbraw/zinc/16/05/08/609160508.db2.gz MOVLZJTYXZJKRA-IBGZPJMESA-N -1 3 348.454 3.731 20 0 EHADHM CSc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000826231030 609163450 /nfs/dbraw/zinc/16/34/50/609163450.db2.gz UIEUQQJZYIXRBR-SNVBAGLBSA-N -1 3 329.404 3.901 20 0 EHADHM CSc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000826231030 609163451 /nfs/dbraw/zinc/16/34/51/609163451.db2.gz UIEUQQJZYIXRBR-SNVBAGLBSA-N -1 3 329.404 3.901 20 0 EHADHM C[C@H]1CCN(c2c(F)cc(-c3nnn[n-]3)cc2F)[C@@H](c2ccco2)C1 ZINC000824961682 609164525 /nfs/dbraw/zinc/16/45/25/609164525.db2.gz GHGGAJLADFYZMS-IINYFYTJSA-N -1 3 345.353 3.716 20 0 EHADHM C[C@H]1CCN(c2c(F)cc(-c3nn[n-]n3)cc2F)[C@@H](c2ccco2)C1 ZINC000824961682 609164526 /nfs/dbraw/zinc/16/45/26/609164526.db2.gz GHGGAJLADFYZMS-IINYFYTJSA-N -1 3 345.353 3.716 20 0 EHADHM CC(C)C[C@@H]1C[C@@H](Nc2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000824243413 609170542 /nfs/dbraw/zinc/17/05/42/609170542.db2.gz FSLAJUSIYYCTBQ-QWHCGFSZSA-N -1 3 335.839 3.526 20 0 EHADHM CC(C)C[C@@H]1C[C@@H](Nc2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000824243413 609170543 /nfs/dbraw/zinc/17/05/43/609170543.db2.gz FSLAJUSIYYCTBQ-QWHCGFSZSA-N -1 3 335.839 3.526 20 0 EHADHM c1c2c(nn1C1CCCC1)[C@H](Nc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000826514188 609172709 /nfs/dbraw/zinc/17/27/09/609172709.db2.gz JTHZQAWRWCVORH-QGZVFWFLSA-N -1 3 349.442 3.668 20 0 EHADHM Clc1cnc(CSc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000826354154 609177047 /nfs/dbraw/zinc/17/70/47/609177047.db2.gz RCYADPXEBIUMRM-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM Clc1cnc(CSc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000826354154 609177049 /nfs/dbraw/zinc/17/70/49/609177049.db2.gz RCYADPXEBIUMRM-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM Cc1ccc2cccc(N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)c2n1 ZINC000826294793 609274496 /nfs/dbraw/zinc/27/44/96/609274496.db2.gz CSGJCFKAZVFFTK-ZDUSSCGKSA-N -1 3 330.395 3.896 20 0 EHADHM Cc1ccc2cccc(N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)c2n1 ZINC000826294793 609274497 /nfs/dbraw/zinc/27/44/97/609274497.db2.gz CSGJCFKAZVFFTK-ZDUSSCGKSA-N -1 3 330.395 3.896 20 0 EHADHM COc1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c2cccnc12 ZINC000826210269 609276978 /nfs/dbraw/zinc/27/69/78/609276978.db2.gz KSKCVQVXOOMJJN-LBPRGKRZSA-N -1 3 346.394 3.597 20 0 EHADHM COc1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c2cccnc12 ZINC000826210269 609276979 /nfs/dbraw/zinc/27/69/79/609276979.db2.gz KSKCVQVXOOMJJN-LBPRGKRZSA-N -1 3 346.394 3.597 20 0 EHADHM CC(C)[C@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1F ZINC000824200709 609386859 /nfs/dbraw/zinc/38/68/59/609386859.db2.gz SKQHRAIUPZXHAX-HNNXBMFYSA-N -1 3 346.797 3.863 20 0 EHADHM CC(C)[C@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1F ZINC000824200709 609386862 /nfs/dbraw/zinc/38/68/62/609386862.db2.gz SKQHRAIUPZXHAX-HNNXBMFYSA-N -1 3 346.797 3.863 20 0 EHADHM CC(C)c1ccc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c(C(C)C)c1 ZINC000824347896 609429738 /nfs/dbraw/zinc/42/97/38/609429738.db2.gz RLSYZDICDDXNJP-UHFFFAOYSA-N -1 3 338.415 3.694 20 0 EHADHM CC(C)c1ccc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c(C(C)C)c1 ZINC000824347896 609429741 /nfs/dbraw/zinc/42/97/41/609429741.db2.gz RLSYZDICDDXNJP-UHFFFAOYSA-N -1 3 338.415 3.694 20 0 EHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1csc2ccccc12 ZINC000826401754 609456836 /nfs/dbraw/zinc/45/68/36/609456836.db2.gz GBMPJDMLLBKLAH-KTKRTIGZSA-N -1 3 347.403 3.733 20 0 EHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1csc2ccccc12 ZINC000826401754 609456837 /nfs/dbraw/zinc/45/68/37/609456837.db2.gz GBMPJDMLLBKLAH-KTKRTIGZSA-N -1 3 347.403 3.733 20 0 EHADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000825632004 609476769 /nfs/dbraw/zinc/47/67/69/609476769.db2.gz JNBXCQWFBNZEQB-BXUZGUMPSA-N -1 3 339.399 3.594 20 0 EHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000825632004 609476772 /nfs/dbraw/zinc/47/67/72/609476772.db2.gz JNBXCQWFBNZEQB-BXUZGUMPSA-N -1 3 339.399 3.594 20 0 EHADHM COc1ccc(C(C)(C)C)cc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000821772477 945856354 /nfs/dbraw/zinc/85/63/54/945856354.db2.gz BBIHWIXJFNZYNR-UHFFFAOYSA-N -1 3 337.427 3.785 20 0 EHADHM COc1ccc(C(C)(C)C)cc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000821772477 945856369 /nfs/dbraw/zinc/85/63/69/945856369.db2.gz BBIHWIXJFNZYNR-UHFFFAOYSA-N -1 3 337.427 3.785 20 0 EHADHM FC(F)(F)CCc1cccc(NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822718742 946163875 /nfs/dbraw/zinc/16/38/75/946163875.db2.gz QUNVHTKGBWBNOH-UHFFFAOYSA-N -1 3 347.344 3.974 20 0 EHADHM FC(F)(F)CCc1cccc(NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822718742 946163882 /nfs/dbraw/zinc/16/38/82/946163882.db2.gz QUNVHTKGBWBNOH-UHFFFAOYSA-N -1 3 347.344 3.974 20 0 EHADHM C[C@H](N[C@H](CC(C)(C)C)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824529099 946762653 /nfs/dbraw/zinc/76/26/53/946762653.db2.gz DUGLPEHADZGBJN-GXFFZTMASA-N -1 3 341.381 3.884 20 0 EHADHM C[C@H](N[C@H](CC(C)(C)C)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824529099 946762664 /nfs/dbraw/zinc/76/26/64/946762664.db2.gz DUGLPEHADZGBJN-GXFFZTMASA-N -1 3 341.381 3.884 20 0 EHADHM CC[C@@H](C)n1nc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825082168 947072519 /nfs/dbraw/zinc/07/25/19/947072519.db2.gz QXYNBIMIQDZNSN-DGCLKSJQSA-N -1 3 325.420 3.516 20 0 EHADHM CC[C@@H](C)n1nc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825082168 947072532 /nfs/dbraw/zinc/07/25/32/947072532.db2.gz QXYNBIMIQDZNSN-DGCLKSJQSA-N -1 3 325.420 3.516 20 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/nfs/dbraw/zinc/46/99/76/949469976.db2.gz YNZRDZNGFCTTGZ-NRUUGDAUSA-N -1 3 328.445 3.713 20 0 EHADHM CC(C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)C[C@H](C)C[C@H]2C ZINC001574184863 950788156 /nfs/dbraw/zinc/78/81/56/950788156.db2.gz PJZYRLCFMXCFCE-GHMZBOCLSA-N -1 3 347.488 3.989 20 0 EHADHM CC(C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)C[C@H](C)C[C@H]2C ZINC001574184863 950788168 /nfs/dbraw/zinc/78/81/68/950788168.db2.gz PJZYRLCFMXCFCE-GHMZBOCLSA-N -1 3 347.488 3.989 20 0 EHADHM C[C@H](NCc1ccc(C(=O)[O-])s1)c1ccc(NC(=O)C2CC2)cc1 ZINC000903674587 956856146 /nfs/dbraw/zinc/85/61/46/956856146.db2.gz KZIQFLVJXROXLZ-NSHDSACASA-N -1 3 344.436 3.646 20 0 EHADHM CC[C@@H]1CN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CCCO1 ZINC000391309183 972328651 /nfs/dbraw/zinc/32/86/51/972328651.db2.gz XGHWYQBFBRFDHB-LLVKDONJSA-N -1 3 337.416 3.740 20 0 EHADHM Cc1cccc([C@H](NCc2csc(Br)c2)C(=O)[O-])c1 ZINC001594398591 958807620 /nfs/dbraw/zinc/80/76/20/958807620.db2.gz YMQMRTIXITYYKK-ZDUSSCGKSA-N -1 3 340.242 3.735 20 0 EHADHM Cc1nn(-c2ccccc2)cc1CN[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001594477254 959611085 /nfs/dbraw/zinc/61/10/85/959611085.db2.gz FFWGZRCUUJLZHA-VQTJNVASSA-N -1 3 347.418 3.584 20 0 EHADHM C[C@@H]1CN(Cc2ccc(Oc3ccc(F)cc3)nc2)CC[C@H]1C(=O)[O-] ZINC001573747528 960505983 /nfs/dbraw/zinc/50/59/83/960505983.db2.gz DYPZXXJHDVUBIW-CXAGYDPISA-N -1 3 344.386 3.556 20 0 EHADHM CC(C)Oc1ccccc1CN1CCc2ccccc2[C@H]1C(=O)[O-] ZINC001588940346 962522398 /nfs/dbraw/zinc/52/23/98/962522398.db2.gz FRMFPQNTFSPEAC-IBGZPJMESA-N -1 3 325.408 3.658 20 0 EHADHM C[C@H]1CCN(Cc2cc(Cl)ccc2OCC2CC2)C[C@@H]1C(=O)[O-] ZINC000564972194 968421613 /nfs/dbraw/zinc/42/16/13/968421613.db2.gz SXFZFCGAJMHFCL-LRDDRELGSA-N -1 3 337.847 3.671 20 0 EHADHM O=C([O-])C[C@@H]1CCCN(Cc2ccc(Sc3ccccn3)o2)C1 ZINC000666581225 968850206 /nfs/dbraw/zinc/85/02/06/968850206.db2.gz DKKXMHMDNKDHEN-ZDUSSCGKSA-N -1 3 332.425 3.513 20 0 EHADHM O=C([O-])CC[C@@H]1CCCN(Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000871620731 969348225 /nfs/dbraw/zinc/34/82/25/969348225.db2.gz JPJXAXJTMKWGNA-NSHDSACASA-N -1 3 331.334 3.504 20 0 EHADHM CC[C@]1(C(=O)[O-])CCCN(Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000923470075 969651771 /nfs/dbraw/zinc/65/17/71/969651771.db2.gz OFMXFTNEARFLPO-SFHVURJKSA-N -1 3 347.846 3.603 20 0 EHADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C2CCCC2)o1 ZINC000538004574 1032077693 /nfs/dbraw/zinc/07/76/93/1032077693.db2.gz OUSIBYDIELRBGM-QGZVFWFLSA-N -1 3 337.416 3.937 20 0 EHADHM O=C([O-])[C@H](NCc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000320653991 970691979 /nfs/dbraw/zinc/69/19/79/970691979.db2.gz PKZPBQZMIGEEHK-CQSZACIVSA-N -1 3 325.286 3.501 20 0 EHADHM O=C([O-])Cc1ccccc1CNCc1ccc(F)cc1C(F)(F)F ZINC000426710787 974045334 /nfs/dbraw/zinc/04/53/34/974045334.db2.gz LJAVZAXNGAVWIV-UHFFFAOYSA-N -1 3 341.304 3.761 20 0 EHADHM COCc1cccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000426756227 974046412 /nfs/dbraw/zinc/04/64/12/974046412.db2.gz ITJZADFGUZUBFD-INIZCTEOSA-N -1 3 337.778 3.541 20 0 EHADHM O=C([O-])[C@H](NCc1ccc(OC(F)F)c(Cl)c1)c1cccs1 ZINC000426808524 974049657 /nfs/dbraw/zinc/04/96/57/974049657.db2.gz RWMQRNBPBZSSOK-GFCCVEGCSA-N -1 3 347.770 3.918 20 0 EHADHM O=C([O-])c1ccc(OCCN2CCc3ccccc3CC2)c(Cl)c1 ZINC000514867341 974293579 /nfs/dbraw/zinc/29/35/79/974293579.db2.gz VJKAWBPVPOYHJD-UHFFFAOYSA-N -1 3 345.826 3.518 20 0 EHADHM O=C([O-])c1cnoc1CN(Cc1ccc(F)cc1)C1CCCCC1 ZINC000565105021 974570226 /nfs/dbraw/zinc/57/02/26/974570226.db2.gz QFLAMBDPHOPHIL-UHFFFAOYSA-N -1 3 332.375 3.847 20 0 EHADHM CCCO[C@@H]1CCCN(Cc2cccc(C(=O)[O-])c2Cl)CC1 ZINC000573975001 974774886 /nfs/dbraw/zinc/77/48/86/974774886.db2.gz INTZKCSDHUGIKL-CQSZACIVSA-N -1 3 325.836 3.819 20 0 EHADHM O=C([O-])[C@H]1CC12CCN(Cc1cc(Cl)ccc1OCC1CC1)CC2 ZINC000577759631 974842510 /nfs/dbraw/zinc/84/25/10/974842510.db2.gz QCAGHBPSAZGFFX-MRXNPFEDSA-N -1 3 349.858 3.816 20 0 EHADHM Cc1cc(CN2CCC(c3ncc(C(=O)[O-])s3)CC2)c(C)s1 ZINC000629368130 975086532 /nfs/dbraw/zinc/08/65/32/975086532.db2.gz UCGNMBDPDHXJMW-UHFFFAOYSA-N -1 3 336.482 3.899 20 0 EHADHM CC(C)O[C@@H]1C[C@@H](N[C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1(C)C ZINC001591696802 975539438 /nfs/dbraw/zinc/53/94/38/975539438.db2.gz XTOOGQRITOHOIK-UMVBOHGHSA-N -1 3 343.826 3.787 20 0 EHADHM Cc1oc(C(=O)[O-])cc1CN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000652512955 975571625 /nfs/dbraw/zinc/57/16/25/975571625.db2.gz SKLJVWCQXAUHOB-BZSNNMDCSA-N -1 3 341.407 3.781 20 0 EHADHM O=C([O-])c1cccc(CNCc2cc(Cl)cc3cccnc32)c1 ZINC000683176849 976081553 /nfs/dbraw/zinc/08/15/53/976081553.db2.gz UKLBMKNXCFMUKA-UHFFFAOYSA-N -1 3 326.783 3.876 20 0 EHADHM C[C@](CC(=O)[O-])(NCc1ncc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC001592329481 977758589 /nfs/dbraw/zinc/75/85/89/977758589.db2.gz IPQDCGKXMMHZCG-QGZVFWFLSA-N -1 3 334.803 3.728 20 0 EHADHM C[C@@H](CN(Cc1c[nH]c(-c2ccccc2)n1)Cc1ccccc1)C(=O)[O-] ZINC001592604824 978547676 /nfs/dbraw/zinc/54/76/76/978547676.db2.gz OQJHUPKDDCIDTC-INIZCTEOSA-N -1 3 349.434 3.800 20 0 EHADHM C[C@@H](CN(Cc1cnc(-c2ccccc2)[nH]1)Cc1ccccc1)C(=O)[O-] ZINC001592604824 978547679 /nfs/dbraw/zinc/54/76/79/978547679.db2.gz OQJHUPKDDCIDTC-INIZCTEOSA-N -1 3 349.434 3.800 20 0 EHADHM CC[C@H](CC(F)F)CN1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001595041257 979221824 /nfs/dbraw/zinc/22/18/24/979221824.db2.gz HZMMVUHKUIAFTJ-MNOVXSKESA-N -1 3 332.416 3.968 20 0 EHADHM CO[C@@H]1CN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC[C@H]1C ZINC000859797751 979633698 /nfs/dbraw/zinc/63/36/98/979633698.db2.gz NRJNVUBWZZHGAE-FZKQIMNGSA-N -1 3 329.396 3.502 20 0 EHADHM C[C@H](NC1CCC(CC(=O)[O-])CC1)c1nc(-c2cccc(F)c2)no1 ZINC000901457115 980295505 /nfs/dbraw/zinc/29/55/05/980295505.db2.gz GTIAYTCJZDNDMV-BZUNDVKYSA-N -1 3 347.390 3.560 20 0 EHADHM C[C@H](CC(C)(C)CC(=O)[O-])N[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000901457629 980296292 /nfs/dbraw/zinc/29/62/92/980296292.db2.gz NVLGUBKAYLVLIZ-VXGBXAGGSA-N -1 3 349.406 3.806 20 0 EHADHM CC[C@@H](N[C@@H](COC)c1cccc(OC)c1)c1ccc(C(=O)[O-])cc1 ZINC001595281475 980335364 /nfs/dbraw/zinc/33/53/64/980335364.db2.gz OWCQHJVZYQRVTB-MOPGFXCFSA-N 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Cc1cc(F)ccc1-n1ccc(C(=O)Nc2cc(Cl)ccc2[O-])n1 ZINC000436803007 1021249553 /nfs/dbraw/zinc/24/95/53/1021249553.db2.gz LOOWTNCNAWZAIH-UHFFFAOYSA-N -1 3 345.761 3.931 20 0 EHADHM Cc1cccc(C(=O)Nc2nnc(/C=C\c3ccco3)s2)c1[O-] ZINC000436807151 1021250444 /nfs/dbraw/zinc/25/04/44/1021250444.db2.gz HWRHVOUAKJUEMN-FPLPWBNLSA-N -1 3 327.365 3.568 20 0 EHADHM CCc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2OC)c([O-])c1 ZINC000436821571 1021273037 /nfs/dbraw/zinc/27/30/37/1021273037.db2.gz PNTXMKKUHDIOES-QGZVFWFLSA-N -1 3 325.408 3.941 20 0 EHADHM Cc1ccc(C(=O)Nc2ncc(-c3ccccn3)s2)c([O-])c1C ZINC000436842341 1021286230 /nfs/dbraw/zinc/28/62/30/1021286230.db2.gz VIIMQOVHAOPNCI-UHFFFAOYSA-N -1 3 325.393 3.780 20 0 EHADHM Cn1cc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])c(C2CC2)n1 ZINC000436842797 1021286575 /nfs/dbraw/zinc/28/65/75/1021286575.db2.gz XIEIWMNAKMAMGH-UHFFFAOYSA-N -1 3 347.418 3.846 20 0 EHADHM O=C([O-])c1cccc(CN2CCC([C@@H]3CCCCO3)CC2)c1Cl ZINC000656767225 1021297823 /nfs/dbraw/zinc/29/78/23/1021297823.db2.gz 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ZINC000436938911 1021402212 /nfs/dbraw/zinc/40/22/12/1021402212.db2.gz LPNFRSYQGJQRHC-UHFFFAOYSA-N -1 3 337.257 3.532 20 0 EHADHM CN(C)c1cc(-c2noc(-c3ccccc3[O-])n2)c2ccccc2n1 ZINC000436941105 1021402389 /nfs/dbraw/zinc/40/23/89/1021402389.db2.gz BOZKKMAXWPRJAX-UHFFFAOYSA-N -1 3 332.363 3.723 20 0 EHADHM Cc1c(NC(=O)c2cc3c(cc2[O-])CCCC3)cnn1CC(C)C ZINC000436960849 1021410958 /nfs/dbraw/zinc/41/09/58/1021410958.db2.gz IQSLHTONVMGQJM-UHFFFAOYSA-N -1 3 327.428 3.684 20 0 EHADHM CCOc1ccccc1N(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436973944 1021427916 /nfs/dbraw/zinc/42/79/16/1021427916.db2.gz VKEDEVNJTMMOTL-UHFFFAOYSA-N -1 3 325.408 3.946 20 0 EHADHM CCOc1cccc2cc([C@@H](C)NC(=O)c3ccc(O)cc3[O-])oc21 ZINC000437000632 1021471898 /nfs/dbraw/zinc/47/18/98/1021471898.db2.gz IZGBMXXWNINBCK-LLVKDONJSA-N -1 3 341.363 3.734 20 0 EHADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1Cc2ccc(F)cc21 ZINC000684388822 1021530968 /nfs/dbraw/zinc/53/09/68/1021530968.db2.gz GTFBAIBCWPPEHE-GFCCVEGCSA-N -1 3 336.160 3.572 20 0 EHADHM Cc1[n-]c(S(=O)(=O)C[C@H]2CCCC2(F)F)nc1-c1ccccc1 ZINC000516540883 1021539216 /nfs/dbraw/zinc/53/92/16/1021539216.db2.gz QOAVUXXAEQRDJJ-CYBMUJFWSA-N -1 3 340.395 3.594 20 0 EHADHM Cc1nc(S(=O)(=O)C[C@H]2CCCC2(F)F)[n-]c1-c1ccccc1 ZINC000516540883 1021539229 /nfs/dbraw/zinc/53/92/29/1021539229.db2.gz QOAVUXXAEQRDJJ-CYBMUJFWSA-N -1 3 340.395 3.594 20 0 EHADHM Cc1[n-]c(S(=O)(=O)C[C@@H]2CCCC2(F)F)nc1-c1ccccc1 ZINC000516540885 1021540262 /nfs/dbraw/zinc/54/02/62/1021540262.db2.gz QOAVUXXAEQRDJJ-ZDUSSCGKSA-N -1 3 340.395 3.594 20 0 EHADHM Cc1nc(S(=O)(=O)C[C@@H]2CCCC2(F)F)[n-]c1-c1ccccc1 ZINC000516540885 1021540274 /nfs/dbraw/zinc/54/02/74/1021540274.db2.gz QOAVUXXAEQRDJJ-ZDUSSCGKSA-N -1 3 340.395 3.594 20 0 EHADHM O=C(NC1CC(c2ccc(F)c(Cl)c2)C1)c1c([O-])cccc1O ZINC000439561720 1021559343 /nfs/dbraw/zinc/55/93/43/1021559343.db2.gz IYFNTDHNCZLCRI-UHFFFAOYSA-N -1 3 335.762 3.566 20 0 EHADHM O=S(=O)(CCc1cccc(Cl)c1)[N-]c1cccc2[nH]ccc21 ZINC000506674342 1021693683 /nfs/dbraw/zinc/69/36/83/1021693683.db2.gz KXDLOTCYYCYERN-UHFFFAOYSA-N -1 3 334.828 3.806 20 0 EHADHM C[C@H](Oc1ccccc1Cl)C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000519067218 1021826336 /nfs/dbraw/zinc/82/63/36/1021826336.db2.gz MZHDWYNPNXRCPI-LBPRGKRZSA-N -1 3 341.798 3.558 20 0 EHADHM CC1(C)CCc2ccccc2[C@H](NC(=O)NCc2ncccc2[O-])C1 ZINC000441026222 1021935712 /nfs/dbraw/zinc/93/57/12/1021935712.db2.gz FRQSADNXYSXDHD-MRXNPFEDSA-N -1 3 339.439 3.690 20 0 EHADHM CCc1ccc(C(=O)N2CCC[C@H]2CC(=O)c2cccs2)c([O-])c1 ZINC000188270397 1021979192 /nfs/dbraw/zinc/97/91/92/1021979192.db2.gz KPXQIBVDSPAJDX-AWEZNQCLSA-N -1 3 343.448 3.894 20 0 EHADHM C[C@H](NC(=O)N=c1cc2ccccn2[n-]1)c1cc2cccc(F)c2o1 ZINC000520270615 1022074982 /nfs/dbraw/zinc/07/49/82/1022074982.db2.gz CEONIPIPPFQXKN-NSHDSACASA-N -1 3 338.342 3.524 20 0 EHADHM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCc1ncccc1[O-] ZINC000473635739 1022278162 /nfs/dbraw/zinc/27/81/62/1022278162.db2.gz MBUGHCSCXSSUQR-SNVBAGLBSA-N -1 3 339.222 3.589 20 0 EHADHM CC[C@H]1C[C@]1(NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cccc(C)c1 ZINC000506168099 1022282176 /nfs/dbraw/zinc/28/21/76/1022282176.db2.gz YNSFGKBMIBRYTB-OYHNWAKOSA-N -1 3 346.430 3.892 20 0 EHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1C ZINC000112850687 1022346609 /nfs/dbraw/zinc/34/66/09/1022346609.db2.gz QSHLMINDMRCSCM-UHFFFAOYSA-N -1 3 330.409 3.594 20 0 EHADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000049124534 1022452941 /nfs/dbraw/zinc/45/29/41/1022452941.db2.gz VYBLKLLKASHTIW-UHFFFAOYSA-N -1 3 332.208 3.803 20 0 EHADHM CS[C@@H]1CCCC[C@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000593784145 1033058694 /nfs/dbraw/zinc/05/86/94/1033058694.db2.gz OMISQVKKNXPPFI-GDBMZVCRSA-N -1 3 325.449 3.644 20 0 EHADHM C[C@H](NC(=O)NCc1ncccc1[O-])c1cc2ccccc2s1 ZINC000471857913 1022613254 /nfs/dbraw/zinc/61/32/54/1022613254.db2.gz PZTYQTCRLVHAIO-NSHDSACASA-N -1 3 327.409 3.562 20 0 EHADHM CCc1cccc(C(=O)N(C)[C@H](c2ncc[nH]2)c2ccccc2)c1[O-] ZINC000517768469 1022648997 /nfs/dbraw/zinc/64/89/97/1022648997.db2.gz JXWZPZLNSXRXEQ-KRWDZBQOSA-N -1 3 335.407 3.539 20 0 EHADHM Fc1cc([C@@H]2OCC[C@H]2[N-]c2nnc(C(F)F)o2)ccc1Cl ZINC000293018409 1022694855 /nfs/dbraw/zinc/69/48/55/1022694855.db2.gz KJYNPCNJYFAJRD-ZJUUUORDSA-N -1 3 333.697 3.742 20 0 EHADHM COc1ccc([O-])c(-c2nc(-c3ccc(Br)cc3)no2)c1 ZINC000111687759 1022705539 /nfs/dbraw/zinc/70/55/39/1022705539.db2.gz AMDDEEOWVMDCNT-UHFFFAOYSA-N -1 3 347.168 3.880 20 0 EHADHM CN(C)C(=O)c1cccc(Nc2ccc(F)c(Cl)c2F)c1[O-] ZINC001213207646 1022721284 /nfs/dbraw/zinc/72/12/84/1022721284.db2.gz JPFBSEYFLKIBLI-UHFFFAOYSA-N -1 3 326.730 3.769 20 0 EHADHM Cc1ccc(OCc2nc(CNCC(C)(C)CC(=O)[O-])cs2)cc1 ZINC000426666233 1022721676 /nfs/dbraw/zinc/72/16/76/1022721676.db2.gz PJWBAOHCJOYEBE-UHFFFAOYSA-N -1 3 348.468 3.621 20 0 EHADHM O=C([O-])C[C@@H]1CCCN(Cc2cnc(CCc3ccccc3)s2)C1 ZINC000517891691 1022813915 /nfs/dbraw/zinc/81/39/15/1022813915.db2.gz MHYULBUQHFKUIL-INIZCTEOSA-N -1 3 344.480 3.615 20 0 EHADHM CCOC(=O)c1ccc(NC(=O)[C@H](C)Cc2ccccc2F)c([O-])c1 ZINC000536336908 1022895925 /nfs/dbraw/zinc/89/59/25/1022895925.db2.gz SPDFSBAKAGXAMJ-GFCCVEGCSA-N -1 3 345.370 3.525 20 0 EHADHM CCOC(=O)c1ccc(NC(=O)C/C=C\c2ccc(F)cc2)c([O-])c1 ZINC000536336566 1022896823 /nfs/dbraw/zinc/89/68/23/1022896823.db2.gz JQUMXUALFBOQFY-ARJAWSKDSA-N -1 3 343.354 3.750 20 0 EHADHM CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1OCC ZINC000426701114 1022971010 /nfs/dbraw/zinc/97/10/10/1022971010.db2.gz XZEMIIDZQUDYND-LJQANCHMSA-N -1 3 343.423 3.708 20 0 EHADHM CC(C)COc1cccc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)c1 ZINC000426762029 1023031591 /nfs/dbraw/zinc/03/15/91/1023031591.db2.gz GNSHNGIDFGJDOA-GOSISDBHSA-N -1 3 331.387 3.776 20 0 EHADHM COc1cccc([C@H](CC(=O)[O-])NCc2coc3ccccc23)c1 ZINC000426787757 1023049057 /nfs/dbraw/zinc/04/90/57/1023049057.db2.gz HNOCSVJZVXWCHU-KRWDZBQOSA-N -1 3 325.364 3.747 20 0 EHADHM CCOc1cc(CN[C@@H](C(=O)[O-])c2ccc(CC)cc2)ccc1OC ZINC000426802624 1023058510 /nfs/dbraw/zinc/05/85/10/1023058510.db2.gz WYGQWYMGTNWBKA-LJQANCHMSA-N -1 3 343.423 3.572 20 0 EHADHM 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/nfs/dbraw/zinc/38/08/10/1138380810.db2.gz FSBNSUPDAZIPTG-UHFFFAOYSA-N -1 3 347.455 3.710 20 0 EHADHM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@H](C1CC1)N1CCCC1 ZINC000128559501 1138392989 /nfs/dbraw/zinc/39/29/89/1138392989.db2.gz OQCDBTPESZVTTA-ZDUSSCGKSA-N -1 3 329.227 3.512 20 0 EHADHM O=S(=O)([N-][C@@H]1CCOC2(CCCCC2)C1)c1ccc(Cl)s1 ZINC000134664955 1138699733 /nfs/dbraw/zinc/69/97/33/1138699733.db2.gz IYQJIANVXFPJAS-LLVKDONJSA-N -1 3 349.905 3.562 20 0 EHADHM CCOCc1nnc([N-]Cc2ccc(-c3ccc(F)cc3C)o2)o1 ZINC000181851877 1139936653 /nfs/dbraw/zinc/93/66/53/1139936653.db2.gz HRFARABRVBFCKP-UHFFFAOYSA-N -1 3 331.347 3.926 20 0 EHADHM Cc1ccc(-c2nc(C[C@@H](C)N(C)C(=O)OC(C)(C)C)no2)c([O-])c1 ZINC000184879429 1140123802 /nfs/dbraw/zinc/12/38/02/1140123802.db2.gz IDYQRERPXKGRQX-GFCCVEGCSA-N -1 3 347.415 3.549 20 0 EHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)/C(C)=C/C(C)(C)C)c2)n1 ZINC000185029306 1140132623 /nfs/dbraw/zinc/13/26/23/1140132623.db2.gz QCPRUOMNBUIADH-OUKQBFOZSA-N -1 3 339.439 3.930 20 0 EHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@H]3C=CCCC3)c2)n1 ZINC000186795031 1140222249 /nfs/dbraw/zinc/22/22/49/1140222249.db2.gz GDZLQQWXEIFBDH-AWEZNQCLSA-N -1 3 337.423 3.684 20 0 EHADHM CC(C)(C)OC(=O)c1ccsc1[N-]C(=O)c1ncc(F)cc1F ZINC000190716251 1140415966 /nfs/dbraw/zinc/41/59/66/1140415966.db2.gz WWMNTAMJYIZOJH-UHFFFAOYSA-N -1 3 340.351 3.629 20 0 EHADHM O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000269199725 1141077514 /nfs/dbraw/zinc/07/75/14/1141077514.db2.gz YKZRWYXFADQIGJ-CQSZACIVSA-N -1 3 340.423 3.552 20 0 EHADHM CC(C)(C)OC(=O)N1CCC[C@@H](c2noc(-c3ccccc3[O-])n2)C1 ZINC000273845611 1141431901 /nfs/dbraw/zinc/43/19/01/1141431901.db2.gz LMXUHAWMZLQABF-GFCCVEGCSA-N -1 3 345.399 3.557 20 0 EHADHM CCOCCOCc1cccc(CNCc2cccc([O-])c2Cl)c1 ZINC000339181245 1141520278 /nfs/dbraw/zinc/52/02/78/1141520278.db2.gz CFEVIBFBRVWVEU-UHFFFAOYSA-N -1 3 349.858 3.889 20 0 EHADHM COc1ccc(-c2ocnc2C(=O)[N-]c2cc(F)ccc2F)cc1 ZINC000015782168 564074143 /nfs/dbraw/zinc/07/41/43/564074143.db2.gz LXSDFUBWXNOVTA-UHFFFAOYSA-N -1 3 330.290 3.881 20 0 EHADHM C[C@@H]1CCC[C@H](C)N1Cc1cc(C(=O)[O-])ccc1Br ZINC000675073780 564112888 /nfs/dbraw/zinc/11/28/88/564112888.db2.gz UFMLLXKNKBVBQF-PHIMTYICSA-N -1 3 326.234 3.910 20 0 EHADHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000735924873 598911091 /nfs/dbraw/zinc/91/10/91/598911091.db2.gz WEWHNRHZSRJVGF-IAGOWNOFSA-N -1 3 347.422 3.732 20 0 EHADHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000735924873 598911092 /nfs/dbraw/zinc/91/10/92/598911092.db2.gz WEWHNRHZSRJVGF-IAGOWNOFSA-N -1 3 347.422 3.732 20 0 EHADHM COc1ccccc1[C@@H](C)Sc1cccc(F)c1-c1nnn[n-]1 ZINC000821882851 599068316 /nfs/dbraw/zinc/06/83/16/599068316.db2.gz MDQCYNWWWPNCQR-SNVBAGLBSA-N -1 3 330.388 3.868 20 0 EHADHM CCc1c(C)sc(NC(=O)[C@H]2CCC[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000736669737 599072555 /nfs/dbraw/zinc/07/25/55/599072555.db2.gz IZBHHIKTUIQGPJ-KOLCDFICSA-N -1 3 333.461 3.564 20 0 EHADHM CCc1c(C)sc(NC(=O)[C@H]2CCC[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000736669737 599072557 /nfs/dbraw/zinc/07/25/57/599072557.db2.gz IZBHHIKTUIQGPJ-KOLCDFICSA-N -1 3 333.461 3.564 20 0 EHADHM COc1ccc(C=Cc2nc3ccccc3s2)cc1-c1nnn[n-]1 ZINC000737080972 599151035 /nfs/dbraw/zinc/15/10/35/599151035.db2.gz KAOPJIFRJUYCBP-VQHVLOKHSA-N -1 3 335.392 3.655 20 0 EHADHM COc1ccc(C=Cc2nc3ccccc3s2)cc1-c1nn[n-]n1 ZINC000737080972 599151038 /nfs/dbraw/zinc/15/10/38/599151038.db2.gz KAOPJIFRJUYCBP-VQHVLOKHSA-N -1 3 335.392 3.655 20 0 EHADHM CCCCCC[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736448483 599177220 /nfs/dbraw/zinc/17/72/20/599177220.db2.gz YJVHMYXEXOHXRX-NSHDSACASA-N -1 3 347.488 3.962 20 0 EHADHM CCCCCC[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736448483 599177223 /nfs/dbraw/zinc/17/72/23/599177223.db2.gz YJVHMYXEXOHXRX-NSHDSACASA-N -1 3 347.488 3.962 20 0 EHADHM Fc1ccccc1Cc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737669959 599211183 /nfs/dbraw/zinc/21/11/83/599211183.db2.gz RZGAMVMLFQRAKB-UHFFFAOYSA-N -1 3 337.383 3.720 20 0 EHADHM Fc1ccccc1Cc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737669959 599211184 /nfs/dbraw/zinc/21/11/84/599211184.db2.gz RZGAMVMLFQRAKB-UHFFFAOYSA-N -1 3 337.383 3.720 20 0 EHADHM Cc1ccccc1[C@H](C)CC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822345889 607270134 /nfs/dbraw/zinc/27/01/34/607270134.db2.gz VQVGMXFFUZQJJK-CYBMUJFWSA-N -1 3 335.411 3.616 20 0 EHADHM Cc1ccccc1[C@H](C)CC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822345889 607270135 /nfs/dbraw/zinc/27/01/35/607270135.db2.gz VQVGMXFFUZQJJK-CYBMUJFWSA-N -1 3 335.411 3.616 20 0 EHADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821034290 607285486 /nfs/dbraw/zinc/28/54/86/607285486.db2.gz KDYXWQUKSLZCDM-MLGOLLRUSA-N -1 3 342.447 3.608 20 0 EHADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821034290 607285487 /nfs/dbraw/zinc/28/54/87/607285487.db2.gz KDYXWQUKSLZCDM-MLGOLLRUSA-N -1 3 342.447 3.608 20 0 EHADHM CCc1ccc([C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000736685478 599265962 /nfs/dbraw/zinc/26/59/62/599265962.db2.gz LRUDPKPJWPAQSE-OAHLLOKOSA-N -1 3 327.363 3.503 20 0 EHADHM CCSc1cccc(NCc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000821461872 607316818 /nfs/dbraw/zinc/31/68/18/607316818.db2.gz VFITZDBTTJZVOP-UHFFFAOYSA-N -1 3 341.440 3.599 20 0 EHADHM CCSc1cccc(NCc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000821461872 607316819 /nfs/dbraw/zinc/31/68/19/607316819.db2.gz VFITZDBTTJZVOP-UHFFFAOYSA-N -1 3 341.440 3.599 20 0 EHADHM CCCCN(C)c1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821060371 607316864 /nfs/dbraw/zinc/31/68/64/607316864.db2.gz CIJAPJULGDSGIW-UHFFFAOYSA-N -1 3 342.472 3.777 20 0 EHADHM CCCCN(C)c1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821060371 607316865 /nfs/dbraw/zinc/31/68/65/607316865.db2.gz CIJAPJULGDSGIW-UHFFFAOYSA-N -1 3 342.472 3.777 20 0 EHADHM CCCCCN(C(=O)Nc1cc(-c2nnn[n-]2)ccc1C)C(C)C ZINC000821056116 599269062 /nfs/dbraw/zinc/26/90/62/599269062.db2.gz LGVDKFFIRWKLSW-UHFFFAOYSA-N -1 3 330.436 3.608 20 0 EHADHM CCCCCN(C(=O)Nc1cc(-c2nn[n-]n2)ccc1C)C(C)C ZINC000821056116 599269063 /nfs/dbraw/zinc/26/90/63/599269063.db2.gz LGVDKFFIRWKLSW-UHFFFAOYSA-N -1 3 330.436 3.608 20 0 EHADHM CCC(CC)n1ccc(CNc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000820897525 607332103 /nfs/dbraw/zinc/33/21/03/607332103.db2.gz ILHYAQGZFZXELS-UHFFFAOYSA-N -1 3 345.838 3.690 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1NCCNc1cccc2ccccc21 ZINC000737639473 598236326 /nfs/dbraw/zinc/23/63/26/598236326.db2.gz CNADZMLMFCGYPI-UHFFFAOYSA-N -1 3 348.385 3.683 20 0 EHADHM Cc1ccccc1N(C(=O)C=Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC000737428980 598297965 /nfs/dbraw/zinc/29/79/65/598297965.db2.gz ZXQFYZYFJQYTHS-OUKQBFOZSA-N -1 3 347.422 3.630 20 0 EHADHM Cc1ccccc1N(C(=O)C=Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC000737428980 598297967 /nfs/dbraw/zinc/29/79/67/598297967.db2.gz ZXQFYZYFJQYTHS-OUKQBFOZSA-N -1 3 347.422 3.630 20 0 EHADHM Clc1cc(-c2nnn[n-]2)cnc1NCc1cccc2ccccc21 ZINC000737558954 598392487 /nfs/dbraw/zinc/39/24/87/598392487.db2.gz TUNRXRLBWDNKKB-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM Clc1cc(-c2nn[n-]n2)cnc1NCc1cccc2ccccc21 ZINC000737558954 598392489 /nfs/dbraw/zinc/39/24/89/598392489.db2.gz TUNRXRLBWDNKKB-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)C1CCCC1 ZINC000738173321 598554284 /nfs/dbraw/zinc/55/42/84/598554284.db2.gz OCATVJYTSOKEAF-UHFFFAOYSA-N -1 3 349.394 3.788 20 0 EHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)C1CCCC1 ZINC000738173321 598554285 /nfs/dbraw/zinc/55/42/85/598554285.db2.gz OCATVJYTSOKEAF-UHFFFAOYSA-N -1 3 349.394 3.788 20 0 EHADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(Cl)c2)Cc2ccccc21 ZINC000736291371 598636151 /nfs/dbraw/zinc/63/61/51/598636151.db2.gz WBWUHXIJKNJNSV-LLVKDONJSA-N -1 3 325.803 3.644 20 0 EHADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(Cl)c2)Cc2ccccc21 ZINC000736291371 598636153 /nfs/dbraw/zinc/63/61/53/598636153.db2.gz WBWUHXIJKNJNSV-LLVKDONJSA-N -1 3 325.803 3.644 20 0 EHADHM COc1ccc(CCCNc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000737089691 598794080 /nfs/dbraw/zinc/79/40/80/598794080.db2.gz VHSBOTSWWIYBKB-UHFFFAOYSA-N -1 3 343.818 3.573 20 0 EHADHM COc1ccc(CCCNc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000737089691 598794081 /nfs/dbraw/zinc/79/40/81/598794081.db2.gz VHSBOTSWWIYBKB-UHFFFAOYSA-N -1 3 343.818 3.573 20 0 EHADHM C[C@H](c1ccc(Cl)cc1Cl)N(C)c1ncccc1-c1nnn[n-]1 ZINC000736198854 598814034 /nfs/dbraw/zinc/81/40/34/598814034.db2.gz LBKIQEDVGHWYSF-SECBINFHSA-N -1 3 349.225 3.766 20 0 EHADHM C[C@H](c1ccc(Cl)cc1Cl)N(C)c1ncccc1-c1nn[n-]n1 ZINC000736198854 598814035 /nfs/dbraw/zinc/81/40/35/598814035.db2.gz LBKIQEDVGHWYSF-SECBINFHSA-N -1 3 349.225 3.766 20 0 EHADHM COc1ccccc1CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737152546 599327118 /nfs/dbraw/zinc/32/71/18/599327118.db2.gz LAGZURRDERTURN-LBPRGKRZSA-N -1 3 326.425 3.870 20 0 EHADHM COc1ccccc1CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737152546 599327121 /nfs/dbraw/zinc/32/71/21/599327121.db2.gz LAGZURRDERTURN-LBPRGKRZSA-N -1 3 326.425 3.870 20 0 EHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cc2occc2s1 ZINC000738151105 599370445 /nfs/dbraw/zinc/37/04/45/599370445.db2.gz GATKIIJWVBELGN-UHFFFAOYSA-N -1 3 345.771 3.580 20 0 EHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cc2occc2s1 ZINC000738151105 599370446 /nfs/dbraw/zinc/37/04/46/599370446.db2.gz GATKIIJWVBELGN-UHFFFAOYSA-N -1 3 345.771 3.580 20 0 EHADHM c1ccc(SCCNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000738432621 599398767 /nfs/dbraw/zinc/39/87/67/599398767.db2.gz IRKNIPJNZGFLON-UHFFFAOYSA-N -1 3 348.435 3.619 20 0 EHADHM c1ccc(SCCNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000738432621 599398771 /nfs/dbraw/zinc/39/87/71/599398771.db2.gz IRKNIPJNZGFLON-UHFFFAOYSA-N -1 3 348.435 3.619 20 0 EHADHM C[C@@H](Cc1ccccc1F)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736065234 599415727 /nfs/dbraw/zinc/41/57/27/599415727.db2.gz BHGVTSSBGGDDSV-LBPRGKRZSA-N -1 3 348.385 3.597 20 0 EHADHM C[C@@H](Cc1ccccc1F)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736065234 599415730 /nfs/dbraw/zinc/41/57/30/599415730.db2.gz BHGVTSSBGGDDSV-LBPRGKRZSA-N -1 3 348.385 3.597 20 0 EHADHM COc1ccc([C@H](C)Nc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000737076878 599420142 /nfs/dbraw/zinc/42/01/42/599420142.db2.gz SMOQTWNEUWCQSZ-LBPRGKRZSA-N -1 3 346.394 3.597 20 0 EHADHM COc1ccc([C@H](C)Nc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000737076878 599420144 /nfs/dbraw/zinc/42/01/44/599420144.db2.gz SMOQTWNEUWCQSZ-LBPRGKRZSA-N -1 3 346.394 3.597 20 0 EHADHM C[C@H]1c2ccsc2CCN1c1cccc(Cl)c1-c1nnn[n-]1 ZINC000820827609 599433561 /nfs/dbraw/zinc/43/35/61/599433561.db2.gz UTGAEIAHMWRNAB-VIFPVBQESA-N -1 3 331.832 3.705 20 0 EHADHM C[C@H]1c2ccsc2CCN1c1cccc(Cl)c1-c1nn[n-]n1 ZINC000820827609 599433562 /nfs/dbraw/zinc/43/35/62/599433562.db2.gz UTGAEIAHMWRNAB-VIFPVBQESA-N -1 3 331.832 3.705 20 0 EHADHM CC(C)[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccccc1Cl ZINC000820026952 599438309 /nfs/dbraw/zinc/43/83/09/599438309.db2.gz NISSSMUXZWNIHL-HNNXBMFYSA-N -1 3 331.807 3.600 20 0 EHADHM CC(C)[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccccc1Cl ZINC000820026952 599438311 /nfs/dbraw/zinc/43/83/11/599438311.db2.gz NISSSMUXZWNIHL-HNNXBMFYSA-N -1 3 331.807 3.600 20 0 EHADHM c1ccc2c(c1)nc(N1CCC[C@]3(CC=CCC3)C1)cc2-c1nnn[n-]1 ZINC000735398972 599438602 /nfs/dbraw/zinc/43/86/02/599438602.db2.gz HPDPJNUGCRGDPL-HXUWFJFHSA-N -1 3 346.438 3.742 20 0 EHADHM c1ccc2c(c1)nc(N1CCC[C@]3(CC=CCC3)C1)cc2-c1nn[n-]n1 ZINC000735398972 599438605 /nfs/dbraw/zinc/43/86/05/599438605.db2.gz HPDPJNUGCRGDPL-HXUWFJFHSA-N -1 3 346.438 3.742 20 0 EHADHM C[C@@H](Nc1c(Cl)cccc1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000820450551 599464563 /nfs/dbraw/zinc/46/45/63/599464563.db2.gz MCCVFGPPFHUJDP-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@@H](Nc1c(Cl)cccc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000820450551 599464565 /nfs/dbraw/zinc/46/45/65/599464565.db2.gz MCCVFGPPFHUJDP-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)c(Cl)c1 ZINC000820455333 599492642 /nfs/dbraw/zinc/49/26/42/599492642.db2.gz HGKLVHPKHIFJHP-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)c(Cl)c1 ZINC000820455333 599492644 /nfs/dbraw/zinc/49/26/44/599492644.db2.gz HGKLVHPKHIFJHP-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM CN(CC(C)(C)C)c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000821593688 599518404 /nfs/dbraw/zinc/51/84/04/599518404.db2.gz FLQJJCVZDFBYLN-UHFFFAOYSA-N -1 3 330.823 3.551 20 0 EHADHM CN(CC(C)(C)C)c1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000821593688 599518406 /nfs/dbraw/zinc/51/84/06/599518406.db2.gz FLQJJCVZDFBYLN-UHFFFAOYSA-N -1 3 330.823 3.551 20 0 EHADHM CC[C@@H](Sc1cc(-c2nnn[n-]2)ccn1)c1ccc(F)cc1F ZINC000736393513 599522367 /nfs/dbraw/zinc/52/23/67/599522367.db2.gz YZPAEERKLTVUQI-CYBMUJFWSA-N -1 3 333.367 3.783 20 0 EHADHM CC[C@@H](Sc1cc(-c2nn[n-]n2)ccn1)c1ccc(F)cc1F ZINC000736393513 599522369 /nfs/dbraw/zinc/52/23/69/599522369.db2.gz YZPAEERKLTVUQI-CYBMUJFWSA-N -1 3 333.367 3.783 20 0 EHADHM C[C@H](SCCOc1ccccc1-c1nnn[n-]1)c1cccs1 ZINC000736189261 599524503 /nfs/dbraw/zinc/52/45/03/599524503.db2.gz OSTOWXALKNUYCO-NSHDSACASA-N -1 3 332.454 3.801 20 0 EHADHM C[C@H](SCCOc1ccccc1-c1nn[n-]n1)c1cccs1 ZINC000736189261 599524505 /nfs/dbraw/zinc/52/45/05/599524505.db2.gz OSTOWXALKNUYCO-NSHDSACASA-N -1 3 332.454 3.801 20 0 EHADHM C[C@@H]1CCc2c(sc(NC(=O)CCC(C)(C)C)c2-c2nnn[n-]2)C1 ZINC000736278999 599539427 /nfs/dbraw/zinc/53/94/27/599539427.db2.gz ISAHPHZEXKNGGO-SNVBAGLBSA-N -1 3 347.488 3.818 20 0 EHADHM C[C@@H]1CCc2c(sc(NC(=O)CCC(C)(C)C)c2-c2nn[n-]n2)C1 ZINC000736278999 599539430 /nfs/dbraw/zinc/53/94/30/599539430.db2.gz ISAHPHZEXKNGGO-SNVBAGLBSA-N -1 3 347.488 3.818 20 0 EHADHM CCOc1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)cc1F ZINC000821422359 599542056 /nfs/dbraw/zinc/54/20/56/599542056.db2.gz VLGXXRFPTVRNEO-UHFFFAOYSA-N -1 3 347.781 3.670 20 0 EHADHM CCOc1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)cc1F ZINC000821422359 599542058 /nfs/dbraw/zinc/54/20/58/599542058.db2.gz VLGXXRFPTVRNEO-UHFFFAOYSA-N -1 3 347.781 3.670 20 0 EHADHM Fc1cccc(NCC2CCC(C(F)(F)F)CC2)c1-c1nnn[n-]1 ZINC000822792269 599689590 /nfs/dbraw/zinc/68/95/90/599689590.db2.gz TWSLLSZSJVSJEK-UHFFFAOYSA-N -1 3 343.328 3.786 20 0 EHADHM Fc1cccc(NCC2CCC(C(F)(F)F)CC2)c1-c1nn[n-]n1 ZINC000822792269 599689591 /nfs/dbraw/zinc/68/95/91/599689591.db2.gz TWSLLSZSJVSJEK-UHFFFAOYSA-N -1 3 343.328 3.786 20 0 EHADHM O=C([O-])N1CCC[C@H](NCc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000739927969 599860546 /nfs/dbraw/zinc/86/05/46/599860546.db2.gz SBCCOUHZGDPJMP-AWEZNQCLSA-N -1 3 334.803 3.832 20 0 EHADHM Cc1ccc(C(=O)[O-])cc1NC(=O)CN[C@@H](c1ccccc1)C(C)C ZINC000738530586 600117085 /nfs/dbraw/zinc/11/70/85/600117085.db2.gz FTPLHZHIVDEOJT-LJQANCHMSA-N -1 3 340.423 3.619 20 0 EHADHM O=C([O-])c1cc(F)ccc1CN1CCC(COc2ccccc2)CC1 ZINC000565106010 600118851 /nfs/dbraw/zinc/11/88/51/600118851.db2.gz VMUDKNMLWSFYLO-UHFFFAOYSA-N -1 3 343.398 3.815 20 0 EHADHM CN(C(=O)c1ccc(C(C)(C)C)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825829340 607435762 /nfs/dbraw/zinc/43/57/62/607435762.db2.gz CEYBKHPURJMEOI-UHFFFAOYSA-N -1 3 341.440 3.502 20 0 EHADHM CN(C(=O)c1ccc(C(C)(C)C)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825829340 607435763 /nfs/dbraw/zinc/43/57/63/607435763.db2.gz CEYBKHPURJMEOI-UHFFFAOYSA-N -1 3 341.440 3.502 20 0 EHADHM COc1ccc(CN(C)[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1F ZINC000737993926 600398154 /nfs/dbraw/zinc/39/81/54/600398154.db2.gz CAHFAGJSSMBRBB-MRXNPFEDSA-N -1 3 337.778 3.745 20 0 EHADHM CC(=O)Nc1cccc([C@H](C)N[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000736168523 600420299 /nfs/dbraw/zinc/42/02/99/600420299.db2.gz VTFKNUQUMMITLF-APPDUMDISA-N -1 3 346.814 3.775 20 0 EHADHM O=C([O-])[C@H](NCCSc1ccc(Cl)cc1)c1ccccc1F ZINC000833165340 600734128 /nfs/dbraw/zinc/73/41/28/600734128.db2.gz IMUIYANLVUVSDA-OAHLLOKOSA-N -1 3 339.819 3.987 20 0 EHADHM CC(C)c1csc([C@@H]2CCCN(Cc3occc3C(=O)[O-])C2)n1 ZINC000574047486 600972808 /nfs/dbraw/zinc/97/28/08/600972808.db2.gz ZJNLNXBRCOEDKD-GFCCVEGCSA-N -1 3 334.441 3.937 20 0 EHADHM CCOC[C@@H]1CCCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000581434683 601009275 /nfs/dbraw/zinc/00/92/75/601009275.db2.gz IFGHLGOYSFCSLK-ABAIWWIYSA-N -1 3 346.254 3.868 20 0 EHADHM CC(C)(C)n1ncc2c1CCC[C@H]2N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736310898 601102075 /nfs/dbraw/zinc/10/20/75/601102075.db2.gz ZBUGHGKMEKGMNF-WBVHZDCISA-N -1 3 345.418 3.570 20 0 EHADHM CC[C@](NCc1ccc(OC)cc1Cl)(C(=O)[O-])c1ccccc1 ZINC000828989232 601380422 /nfs/dbraw/zinc/38/04/22/601380422.db2.gz VACBKYABLKHIGT-GOSISDBHSA-N -1 3 333.815 3.828 20 0 EHADHM CC[C@](C)(CC(=O)[O-])NCc1csc(-c2ccc(OC)cc2)n1 ZINC000828664905 601431530 /nfs/dbraw/zinc/43/15/30/601431530.db2.gz KSGFGAVGTNBINR-QGZVFWFLSA-N -1 3 334.441 3.552 20 0 EHADHM COCCN(Cc1ccc(C(=O)[O-])c(F)c1)[C@H](C)c1ccccc1 ZINC000831735366 601623358 /nfs/dbraw/zinc/62/33/58/601623358.db2.gz QVDIMPDRBCDSRE-CQSZACIVSA-N -1 3 331.387 3.734 20 0 EHADHM Cc1nc(-c2ccccc2)sc1[C@H](C)NCc1c[nH]c(C(=O)[O-])c1 ZINC000832992613 601832701 /nfs/dbraw/zinc/83/27/01/601832701.db2.gz PCRRTQZGANHANV-NSHDSACASA-N -1 3 341.436 3.996 20 0 EHADHM COc1cc(OC)cc([C@H](N[C@H](C)c2cccc(C)c2C)C(=O)[O-])c1 ZINC000832049609 602173003 /nfs/dbraw/zinc/17/30/03/602173003.db2.gz JFIKXABNERNYJL-KUHUBIRLSA-N -1 3 343.423 3.797 20 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/nfs/dbraw/zinc/81/92/82/604819282.db2.gz VIQFUTQAYUXSQW-CXAGYDPISA-N -1 3 349.818 3.513 20 0 EHADHM O=C([O-])N1CCC[C@H](CN2CCCC[C@@H]2c2nc3ccccc3o2)C1 ZINC000831981392 604838424 /nfs/dbraw/zinc/83/84/24/604838424.db2.gz WSBMZTZBPAXZHU-GDBMZVCRSA-N -1 3 343.427 3.745 20 0 EHADHM Cc1ccccc1-c1cnc(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)o1 ZINC000652498729 604937192 /nfs/dbraw/zinc/93/71/92/604937192.db2.gz RBLRJJBTKYSUJX-HNNXBMFYSA-N -1 3 342.439 3.973 20 0 EHADHM C[C@@H](c1nnc(-c2ccccc2)o1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833551382 604938115 /nfs/dbraw/zinc/93/81/15/604938115.db2.gz TZPFDIAJPNWIDR-DZGCQCFKSA-N -1 3 343.427 3.620 20 0 EHADHM COc1cc(C)ccc1[C@H](C)NCc1ccc(CCNC(=O)[O-])cc1 ZINC000829094409 604943516 /nfs/dbraw/zinc/94/35/16/604943516.db2.gz OTXFCGZLAXSEHC-HNNXBMFYSA-N -1 3 342.439 3.665 20 0 EHADHM C[C@H](c1nnc(-c2cccs2)o1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833550185 604946388 /nfs/dbraw/zinc/94/63/88/604946388.db2.gz KEQJCIBYNCKYQH-NEPJUHHUSA-N -1 3 349.456 3.682 20 0 EHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000392707046 604949539 /nfs/dbraw/zinc/94/95/39/604949539.db2.gz XVOGKMZYCOLMAG-AWEZNQCLSA-N -1 3 346.402 3.804 20 0 EHADHM CC(C)CCOc1ccc([C@H](C)N[C@H](C(=O)[O-])c2cccnc2)cc1 ZINC000826860925 604999059 /nfs/dbraw/zinc/99/90/59/604999059.db2.gz JWPCXLAPNUEJKB-KXBFYZLASA-N -1 3 342.439 3.983 20 0 EHADHM CC1(C)Cc2occc2[C@H](NCc2cccc(OCC(=O)[O-])c2)C1 ZINC000833562235 605002235 /nfs/dbraw/zinc/00/22/35/605002235.db2.gz OMKJQHWRCMCVEZ-MRXNPFEDSA-N -1 3 329.396 3.546 20 0 EHADHM C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000833624247 605071474 /nfs/dbraw/zinc/07/14/74/605071474.db2.gz LNMNRHPRZWGMOG-SUNKGSAMSA-N -1 3 334.803 3.709 20 0 EHADHM C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000833624244 605072119 /nfs/dbraw/zinc/07/21/19/605072119.db2.gz LNMNRHPRZWGMOG-JTNHKYCSSA-N -1 3 334.803 3.709 20 0 EHADHM C[C@H](NCc1ccc([C@H](C)NC(=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000825503177 605118624 /nfs/dbraw/zinc/11/86/24/605118624.db2.gz PKUMBTUTNVVFFR-STQMWFEESA-N -1 3 342.395 3.595 20 0 EHADHM C[C@@H](NCc1ccc([C@H](C)NC(=O)[O-])cc1)c1ccc2c(c1)COC2 ZINC000825502838 605118773 /nfs/dbraw/zinc/11/87/73/605118773.db2.gz LHHMPJZXLRVBPT-KGLIPLIRSA-N -1 3 340.423 3.896 20 0 EHADHM O=C([O-])Nc1ccc2c(c1)CC[C@H]2NCc1cnn(-c2ccccc2)c1 ZINC000834261719 605573994 /nfs/dbraw/zinc/57/39/94/605573994.db2.gz FCURTSPPBQFLEC-LJQANCHMSA-N -1 3 348.406 3.739 20 0 EHADHM c1cc([C@@H]2CCCN2c2nc3ccccc3cc2-c2nnn[n-]2)cs1 ZINC000823802071 606048765 /nfs/dbraw/zinc/04/87/65/606048765.db2.gz HLABMQZLSLLSRD-INIZCTEOSA-N -1 3 348.435 3.818 20 0 EHADHM c1cc([C@@H]2CCCN2c2nc3ccccc3cc2-c2nn[n-]n2)cs1 ZINC000823802071 606048770 /nfs/dbraw/zinc/04/87/70/606048770.db2.gz HLABMQZLSLLSRD-INIZCTEOSA-N -1 3 348.435 3.818 20 0 EHADHM CSc1ccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)cc1 ZINC000821983352 606055035 /nfs/dbraw/zinc/05/50/35/606055035.db2.gz GXVBIUFJVMAYDI-UHFFFAOYSA-N -1 3 348.435 3.749 20 0 EHADHM CSc1ccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)cc1 ZINC000821983352 606055041 /nfs/dbraw/zinc/05/50/41/606055041.db2.gz GXVBIUFJVMAYDI-UHFFFAOYSA-N -1 3 348.435 3.749 20 0 EHADHM CC(C)=C(C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000820005211 606281293 /nfs/dbraw/zinc/28/12/93/606281293.db2.gz MZGGEWPKPGMUAT-UHFFFAOYSA-N -1 3 349.394 3.954 20 0 EHADHM CC(C)=C(C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000820005211 606281294 /nfs/dbraw/zinc/28/12/94/606281294.db2.gz MZGGEWPKPGMUAT-UHFFFAOYSA-N -1 3 349.394 3.954 20 0 EHADHM C/C=C(\C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820826597 606287239 /nfs/dbraw/zinc/28/72/39/606287239.db2.gz OCCMPDOMQVUXMO-KGVSQERTSA-N -1 3 335.367 3.564 20 0 EHADHM C/C=C(\C)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820826597 606287241 /nfs/dbraw/zinc/28/72/41/606287241.db2.gz OCCMPDOMQVUXMO-KGVSQERTSA-N -1 3 335.367 3.564 20 0 EHADHM c1ccc2sc(CSc3cccc(-c4nnn[n-]4)c3)nc2c1 ZINC000823762880 606327971 /nfs/dbraw/zinc/32/79/71/606327971.db2.gz VSIIFHZRWOYSBU-UHFFFAOYSA-N -1 3 325.422 3.769 20 0 EHADHM c1ccc2sc(CSc3cccc(-c4nn[n-]n4)c3)nc2c1 ZINC000823762880 606327973 /nfs/dbraw/zinc/32/79/73/606327973.db2.gz VSIIFHZRWOYSBU-UHFFFAOYSA-N -1 3 325.422 3.769 20 0 EHADHM C[C@H](NCc1ccc(-c2nnn[n-]2)s1)c1c(F)cccc1Cl ZINC000820433559 606425230 /nfs/dbraw/zinc/42/52/30/606425230.db2.gz ZGKLNQYOYPMBEI-QMMMGPOBSA-N -1 3 337.811 3.572 20 0 EHADHM C[C@H](NCc1ccc(-c2nn[n-]n2)s1)c1c(F)cccc1Cl ZINC000820433559 606425232 /nfs/dbraw/zinc/42/52/32/606425232.db2.gz ZGKLNQYOYPMBEI-QMMMGPOBSA-N -1 3 337.811 3.572 20 0 EHADHM C[C@H]1c2ccsc2CCN1c1c(Cl)cccc1-c1nnn[n-]1 ZINC000820827361 606442989 /nfs/dbraw/zinc/44/29/89/606442989.db2.gz RXENZBMRRZPOOR-VIFPVBQESA-N -1 3 331.832 3.705 20 0 EHADHM C[C@H]1c2ccsc2CCN1c1c(Cl)cccc1-c1nn[n-]n1 ZINC000820827361 606442991 /nfs/dbraw/zinc/44/29/91/606442991.db2.gz RXENZBMRRZPOOR-VIFPVBQESA-N -1 3 331.832 3.705 20 0 EHADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N1CCC[C@@H]1c1ccsc1 ZINC000822736818 606455865 /nfs/dbraw/zinc/45/58/65/606455865.db2.gz KQCYKUNYGLPEGP-CYBMUJFWSA-N -1 3 333.367 3.548 20 0 EHADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N1CCC[C@@H]1c1ccsc1 ZINC000822736818 606455867 /nfs/dbraw/zinc/45/58/67/606455867.db2.gz KQCYKUNYGLPEGP-CYBMUJFWSA-N -1 3 333.367 3.548 20 0 EHADHM Cc1cc(CCCC(=O)Nc2sccc2-c2nnn[n-]2)c(C)s1 ZINC000822199868 606600863 /nfs/dbraw/zinc/60/08/63/606600863.db2.gz KRLAYCQMCBIYJO-UHFFFAOYSA-N -1 3 347.469 3.568 20 0 EHADHM Cc1cc(CCCC(=O)Nc2sccc2-c2nn[n-]n2)c(C)s1 ZINC000822199868 606600865 /nfs/dbraw/zinc/60/08/65/606600865.db2.gz KRLAYCQMCBIYJO-UHFFFAOYSA-N -1 3 347.469 3.568 20 0 EHADHM CC1CC(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000820648845 606620207 /nfs/dbraw/zinc/62/02/07/606620207.db2.gz GQHPIUKRBWZPMM-UHFFFAOYSA-N -1 3 349.394 3.644 20 0 EHADHM CC1CC(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000820648845 606620209 /nfs/dbraw/zinc/62/02/09/606620209.db2.gz GQHPIUKRBWZPMM-UHFFFAOYSA-N -1 3 349.394 3.644 20 0 EHADHM C[C@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)c1nc(C2CC2)no1 ZINC000820555895 606628513 /nfs/dbraw/zinc/62/85/13/606628513.db2.gz QOQGDFGMRNGOJU-ZETCQYMHSA-N -1 3 348.819 3.634 20 0 EHADHM C[C@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)c1nc(C2CC2)no1 ZINC000820555895 606628518 /nfs/dbraw/zinc/62/85/18/606628518.db2.gz QOQGDFGMRNGOJU-ZETCQYMHSA-N -1 3 348.819 3.634 20 0 EHADHM Cc1ccc(NCc2cccc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000822259268 606660710 /nfs/dbraw/zinc/66/07/10/606660710.db2.gz RONXNHXOHBBZGZ-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM Cc1ccc(NCc2cccc(-c3nn[n-]n3)c2)c(Br)c1 ZINC000822259268 606660711 /nfs/dbraw/zinc/66/07/11/606660711.db2.gz RONXNHXOHBBZGZ-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM Cc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)c(Br)c1 ZINC000822254770 606660762 /nfs/dbraw/zinc/66/07/62/606660762.db2.gz QSXMHHPSVYESFA-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM Cc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)c(Br)c1 ZINC000822254770 606660763 /nfs/dbraw/zinc/66/07/63/606660763.db2.gz QSXMHHPSVYESFA-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM CC(C)(C)c1cnc(SCc2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000819965352 606785893 /nfs/dbraw/zinc/78/58/93/606785893.db2.gz CPZVFXNSIUTLAK-UHFFFAOYSA-N -1 3 333.392 3.584 20 0 EHADHM CC(C)(C)c1cnc(SCc2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000819965352 606785895 /nfs/dbraw/zinc/78/58/95/606785895.db2.gz CPZVFXNSIUTLAK-UHFFFAOYSA-N -1 3 333.392 3.584 20 0 EHADHM Fc1ccc2oc(CSc3ccc(-c4nnn[n-]4)cc3F)nc2c1 ZINC000822786296 606794672 /nfs/dbraw/zinc/79/46/72/606794672.db2.gz IHMFLDYSROJFJT-UHFFFAOYSA-N -1 3 345.334 3.578 20 0 EHADHM Fc1ccc2oc(CSc3ccc(-c4nn[n-]n4)cc3F)nc2c1 ZINC000822786296 606794673 /nfs/dbraw/zinc/79/46/73/606794673.db2.gz IHMFLDYSROJFJT-UHFFFAOYSA-N -1 3 345.334 3.578 20 0 EHADHM Cc1sc(NC(=O)C2(CC(C)C)CCC2)c(-c2nnn[n-]2)c1C ZINC000822558847 606842842 /nfs/dbraw/zinc/84/28/42/606842842.db2.gz SNEQJHZUJGCRAO-UHFFFAOYSA-N -1 3 333.461 3.700 20 0 EHADHM Cc1sc(NC(=O)C2(CC(C)C)CCC2)c(-c2nn[n-]n2)c1C ZINC000822558847 606842843 /nfs/dbraw/zinc/84/28/43/606842843.db2.gz SNEQJHZUJGCRAO-UHFFFAOYSA-N -1 3 333.461 3.700 20 0 EHADHM CCc1nnc(S[C@@H](C)c2cccs2)c(-c2nnn[n-]2)c1CC ZINC000821548569 606937731 /nfs/dbraw/zinc/93/77/31/606937731.db2.gz OKKQIVYIXFHGRM-VIFPVBQESA-N -1 3 346.485 3.696 20 0 EHADHM CCc1nnc(S[C@@H](C)c2cccs2)c(-c2nn[n-]n2)c1CC ZINC000821548569 606937732 /nfs/dbraw/zinc/93/77/32/606937732.db2.gz OKKQIVYIXFHGRM-VIFPVBQESA-N -1 3 346.485 3.696 20 0 EHADHM C[C@H](c1ccccc1)n1ccc(Nc2cccc(F)c2-c2nnn[n-]2)n1 ZINC000820570405 607118651 /nfs/dbraw/zinc/11/86/51/607118651.db2.gz JGPNELQDMQPMQV-GFCCVEGCSA-N -1 3 349.373 3.555 20 0 EHADHM C[C@H](c1ccccc1)n1ccc(Nc2cccc(F)c2-c2nn[n-]n2)n1 ZINC000820570405 607118652 /nfs/dbraw/zinc/11/86/52/607118652.db2.gz JGPNELQDMQPMQV-GFCCVEGCSA-N -1 3 349.373 3.555 20 0 EHADHM O=C(Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)C1=CCCC1 ZINC000823444921 607147872 /nfs/dbraw/zinc/14/78/72/607147872.db2.gz QRSZTMYYUBHCCD-UHFFFAOYSA-N -1 3 332.363 3.549 20 0 EHADHM O=C(Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)C1=CCCC1 ZINC000823444921 607147873 /nfs/dbraw/zinc/14/78/73/607147873.db2.gz QRSZTMYYUBHCCD-UHFFFAOYSA-N -1 3 332.363 3.549 20 0 EHADHM C[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820698989 607195558 /nfs/dbraw/zinc/19/55/58/607195558.db2.gz XFODKWMHXUOEGY-HZMBPMFUSA-N -1 3 348.838 3.563 20 0 EHADHM C[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820698989 607195559 /nfs/dbraw/zinc/19/55/59/607195559.db2.gz XFODKWMHXUOEGY-HZMBPMFUSA-N -1 3 348.838 3.563 20 0 EHADHM Cc1cc(C)cc(NC(=S)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000822196399 607252107 /nfs/dbraw/zinc/25/21/07/607252107.db2.gz HZDILYUPJWDDMQ-UHFFFAOYSA-N -1 3 338.440 3.601 20 0 EHADHM Cc1cc(C)cc(NC(=S)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000822196399 607252108 /nfs/dbraw/zinc/25/21/08/607252108.db2.gz HZDILYUPJWDDMQ-UHFFFAOYSA-N -1 3 338.440 3.601 20 0 EHADHM CCC(C)(C)c1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825045377 607795659 /nfs/dbraw/zinc/79/56/59/607795659.db2.gz ZXMFZNWMZMGAMK-UHFFFAOYSA-N -1 3 349.438 3.831 20 0 EHADHM CCC(C)(C)c1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825045377 607795660 /nfs/dbraw/zinc/79/56/60/607795660.db2.gz ZXMFZNWMZMGAMK-UHFFFAOYSA-N -1 3 349.438 3.831 20 0 EHADHM Cc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826289351 607801614 /nfs/dbraw/zinc/80/16/14/607801614.db2.gz WSRIPODGIQSJGB-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826289351 607801615 /nfs/dbraw/zinc/80/16/15/607801615.db2.gz WSRIPODGIQSJGB-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM CN(Cn1ccc(=S)c2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000825998956 607846115 /nfs/dbraw/zinc/84/61/15/607846115.db2.gz GXWOIFIQZMVKCY-UHFFFAOYSA-N -1 3 348.435 3.645 20 0 EHADHM Cc1cccc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c1Cl ZINC000826296463 607855687 /nfs/dbraw/zinc/85/56/87/607855687.db2.gz XZQMSONTHZOAES-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1cccc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c1Cl ZINC000826296463 607855688 /nfs/dbraw/zinc/85/56/88/607855688.db2.gz XZQMSONTHZOAES-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM C[C@@H](NC(=O)C[C@@H]1CCCC(C)(C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824478279 607881147 /nfs/dbraw/zinc/88/11/47/607881147.db2.gz GHFILKBKRIEUFG-KGLIPLIRSA-N -1 3 341.459 3.650 20 0 EHADHM C[C@@H](NC(=O)C[C@@H]1CCCC(C)(C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824478279 607881148 /nfs/dbraw/zinc/88/11/48/607881148.db2.gz GHFILKBKRIEUFG-KGLIPLIRSA-N -1 3 341.459 3.650 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCC12CCCCC2 ZINC000826278390 608007294 /nfs/dbraw/zinc/00/72/94/608007294.db2.gz ZXYRIMBWVJNEFQ-UHFFFAOYSA-N -1 3 340.431 3.506 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCC12CCCCC2 ZINC000826278390 608007295 /nfs/dbraw/zinc/00/72/95/608007295.db2.gz ZXYRIMBWVJNEFQ-UHFFFAOYSA-N -1 3 340.431 3.506 20 0 EHADHM O=Cc1cc(Cl)c(OCc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000826483943 608154705 /nfs/dbraw/zinc/15/47/05/608154705.db2.gz GUEZTALIXWVBJU-UHFFFAOYSA-N -1 3 349.177 3.565 20 0 EHADHM O=Cc1cc(Cl)c(OCc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000826483943 608154706 /nfs/dbraw/zinc/15/47/06/608154706.db2.gz GUEZTALIXWVBJU-UHFFFAOYSA-N -1 3 349.177 3.565 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H](C)c2ccc(F)c(Cl)c2)n1 ZINC000826274683 608277387 /nfs/dbraw/zinc/27/73/87/608277387.db2.gz AEURRWABVKWXPJ-VIFPVBQESA-N -1 3 332.770 3.536 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H](C)c2ccc(F)c(Cl)c2)n1 ZINC000826274683 608277389 /nfs/dbraw/zinc/27/73/89/608277389.db2.gz AEURRWABVKWXPJ-VIFPVBQESA-N -1 3 332.770 3.536 20 0 EHADHM CSc1cccc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1C ZINC000826231099 608412057 /nfs/dbraw/zinc/41/20/57/608412057.db2.gz XDLDXJNTEQSBPN-UHFFFAOYSA-N -1 3 340.412 3.541 20 0 EHADHM CSc1cccc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1C ZINC000826231099 608412058 /nfs/dbraw/zinc/41/20/58/608412058.db2.gz XDLDXJNTEQSBPN-UHFFFAOYSA-N -1 3 340.412 3.541 20 0 EHADHM CC[C@@H](C)n1ncc(NCc2cccc(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825081127 608427670 /nfs/dbraw/zinc/42/76/70/608427670.db2.gz GOXZZZRVGAVISE-GFCCVEGCSA-N -1 3 337.431 3.524 20 0 EHADHM CC[C@@H](C)n1ncc(NCc2cccc(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825081127 608427671 /nfs/dbraw/zinc/42/76/71/608427671.db2.gz GOXZZZRVGAVISE-GFCCVEGCSA-N -1 3 337.431 3.524 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)CCCc1ccccc1 ZINC000826277399 608584538 /nfs/dbraw/zinc/58/45/38/608584538.db2.gz SQNATNORIRNOMJ-HNNXBMFYSA-N -1 3 349.438 3.773 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)CCCc1ccccc1 ZINC000826277399 608584540 /nfs/dbraw/zinc/58/45/40/608584540.db2.gz SQNATNORIRNOMJ-HNNXBMFYSA-N -1 3 349.438 3.773 20 0 EHADHM C[C@H]1CCN(Cc2cccc(-c3nnn[n-]3)c2F)[C@H](c2ccco2)C1 ZINC000824963050 608650878 /nfs/dbraw/zinc/65/08/78/608650878.db2.gz ZBMPNICYEIQUMS-WFASDCNBSA-N -1 3 341.390 3.572 20 0 EHADHM Cc1cccc2sc(NCc3ccc(-c4nnn[n-]4)cc3F)nc21 ZINC000826305378 609264579 /nfs/dbraw/zinc/26/45/79/609264579.db2.gz UOUMPHGTJOBBRE-UHFFFAOYSA-N -1 3 340.387 3.536 20 0 EHADHM Cc1cccc2sc(NCc3ccc(-c4nn[n-]n4)cc3F)nc21 ZINC000826305378 609264581 /nfs/dbraw/zinc/26/45/81/609264581.db2.gz UOUMPHGTJOBBRE-UHFFFAOYSA-N -1 3 340.387 3.536 20 0 EHADHM Cc1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)nn1-c1ccccc1 ZINC000826270445 609281500 /nfs/dbraw/zinc/28/15/00/609281500.db2.gz AKTDVUYTGLSOQF-AWEZNQCLSA-N -1 3 345.410 3.534 20 0 EHADHM Cc1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)nn1-c1ccccc1 ZINC000826270445 609281501 /nfs/dbraw/zinc/28/15/01/609281501.db2.gz AKTDVUYTGLSOQF-AWEZNQCLSA-N -1 3 345.410 3.534 20 0 EHADHM C[C@@H](SCc1ccc2c(c1)COC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000824753063 609328853 /nfs/dbraw/zinc/32/88/53/609328853.db2.gz BPBYOBSIHNXNDL-GFCCVEGCSA-N -1 3 338.436 3.891 20 0 EHADHM C[C@@H](SCc1ccc2c(c1)COC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000824753063 609328855 /nfs/dbraw/zinc/32/88/55/609328855.db2.gz BPBYOBSIHNXNDL-GFCCVEGCSA-N -1 3 338.436 3.891 20 0 EHADHM CC1(C)CC[C@@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)C1 ZINC000824795695 609370350 /nfs/dbraw/zinc/37/03/50/609370350.db2.gz CBZFXQMYASPZOO-SNVBAGLBSA-N -1 3 345.472 3.572 20 0 EHADHM CC1(C)CC[C@@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C1 ZINC000824795695 609370351 /nfs/dbraw/zinc/37/03/51/609370351.db2.gz CBZFXQMYASPZOO-SNVBAGLBSA-N -1 3 345.472 3.572 20 0 EHADHM CC(C)Nc1cc(F)ccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000824304603 609438290 /nfs/dbraw/zinc/43/82/90/609438290.db2.gz CLXCVXWFQFRIHU-UHFFFAOYSA-N -1 3 344.369 3.577 20 0 EHADHM CC(C)Nc1cc(F)ccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000824304603 609438293 /nfs/dbraw/zinc/43/82/93/609438293.db2.gz CLXCVXWFQFRIHU-UHFFFAOYSA-N -1 3 344.369 3.577 20 0 EHADHM CC(=Cc1ccc(C)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000823943712 609451507 /nfs/dbraw/zinc/45/15/07/609451507.db2.gz RHFGXJUQCQMHDP-ACCUITESSA-N -1 3 333.395 3.526 20 0 EHADHM CC(=Cc1ccc(C)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000823943712 609451509 /nfs/dbraw/zinc/45/15/09/609451509.db2.gz RHFGXJUQCQMHDP-ACCUITESSA-N -1 3 333.395 3.526 20 0 EHADHM COc1cc(CNc2cc(-c3nnn[n-]3)ccc2C)ccc1SC ZINC000826179194 609479050 /nfs/dbraw/zinc/47/90/50/609479050.db2.gz DCYUXCIYHASIRY-UHFFFAOYSA-N -1 3 341.440 3.518 20 0 EHADHM COc1cc(CNc2cc(-c3nn[n-]n3)ccc2C)ccc1SC ZINC000826179194 609479051 /nfs/dbraw/zinc/47/90/51/609479051.db2.gz DCYUXCIYHASIRY-UHFFFAOYSA-N -1 3 341.440 3.518 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1cccc(-c2cccnc2)c1 ZINC000826278519 609481802 /nfs/dbraw/zinc/48/18/02/609481802.db2.gz GWXHBQJVPJFLPD-UHFFFAOYSA-N -1 3 342.406 3.849 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1cccc(-c2cccnc2)c1 ZINC000826278519 609481803 /nfs/dbraw/zinc/48/18/03/609481803.db2.gz GWXHBQJVPJFLPD-UHFFFAOYSA-N -1 3 342.406 3.849 20 0 EHADHM CC/C(C)=C(/C)C(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825052790 609522816 /nfs/dbraw/zinc/52/28/16/609522816.db2.gz YUDOGGUFEDKJNV-WUFNSSIPSA-N -1 3 327.432 3.523 20 0 EHADHM CC/C(C)=C(/C)C(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825052790 609522818 /nfs/dbraw/zinc/52/28/18/609522818.db2.gz YUDOGGUFEDKJNV-WUFNSSIPSA-N -1 3 327.432 3.523 20 0 EHADHM Cc1ccnc(N[C@@H](C)c2ccc(F)cc2Cl)c1-c1nnn[n-]1 ZINC000826312029 609556827 /nfs/dbraw/zinc/55/68/27/609556827.db2.gz UHNUGAOKESPPNR-VIFPVBQESA-N -1 3 332.770 3.536 20 0 EHADHM Cc1ccnc(N[C@@H](C)c2ccc(F)cc2Cl)c1-c1nn[n-]n1 ZINC000826312029 609556828 /nfs/dbraw/zinc/55/68/28/609556828.db2.gz UHNUGAOKESPPNR-VIFPVBQESA-N -1 3 332.770 3.536 20 0 EHADHM C[C@@H](C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000819868450 945301573 /nfs/dbraw/zinc/30/15/73/945301573.db2.gz YFZFBCBSBCFNNC-GFCCVEGCSA-N -1 3 349.394 3.644 20 0 EHADHM C[C@@H](C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC000819868450 945301582 /nfs/dbraw/zinc/30/15/82/945301582.db2.gz YFZFBCBSBCFNNC-GFCCVEGCSA-N -1 3 349.394 3.644 20 0 EHADHM C[C@@H](C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)C1CC1 ZINC000819867537 945302117 /nfs/dbraw/zinc/30/21/17/945302117.db2.gz TWXSXJUGDHRLKQ-GFCCVEGCSA-N -1 3 349.394 3.644 20 0 EHADHM C[C@@H](C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)C1CC1 ZINC000819867537 945302127 /nfs/dbraw/zinc/30/21/27/945302127.db2.gz TWXSXJUGDHRLKQ-GFCCVEGCSA-N -1 3 349.394 3.644 20 0 EHADHM CC(=O)c1ccc(-c2nnn[n-]2)c(N[C@H](C)c2cccc(Cl)c2)c1 ZINC000824014021 946544048 /nfs/dbraw/zinc/54/40/48/946544048.db2.gz AXDYMEVRQJUITJ-SNVBAGLBSA-N -1 3 341.802 3.896 20 0 EHADHM CC(=O)c1ccc(-c2nn[n-]n2)c(N[C@H](C)c2cccc(Cl)c2)c1 ZINC000824014021 946544052 /nfs/dbraw/zinc/54/40/52/946544052.db2.gz AXDYMEVRQJUITJ-SNVBAGLBSA-N -1 3 341.802 3.896 20 0 EHADHM Brc1ccc(-c2nnn[n-]2)c(NCCC[C@H]2C=CCC2)c1 ZINC001573280967 946670665 /nfs/dbraw/zinc/67/06/65/946670665.db2.gz WMIUCZRUIIJFDA-NSHDSACASA-N -1 3 348.248 3.788 20 0 EHADHM Brc1ccc(-c2nn[n-]n2)c(NCCC[C@H]2C=CCC2)c1 ZINC001573280967 946670672 /nfs/dbraw/zinc/67/06/72/946670672.db2.gz WMIUCZRUIIJFDA-NSHDSACASA-N -1 3 348.248 3.788 20 0 EHADHM Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1cc(C(=O)[O-])c(C)n1C ZINC000326422202 971291956 /nfs/dbraw/zinc/29/19/56/971291956.db2.gz RKMWSBIWZFPNPY-MRXNPFEDSA-N -1 3 330.428 3.736 20 0 EHADHM CCCCC[C@H](CC)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825266266 947135980 /nfs/dbraw/zinc/13/59/80/947135980.db2.gz DJFKGCDWIACQAG-KBPBESRZSA-N -1 3 329.448 3.650 20 0 EHADHM CCCCC[C@H](CC)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825266266 947135983 /nfs/dbraw/zinc/13/59/83/947135983.db2.gz DJFKGCDWIACQAG-KBPBESRZSA-N -1 3 329.448 3.650 20 0 EHADHM C[C@@H](C(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1)[C@@H](C)C(C)(C)C ZINC001573654441 947966115 /nfs/dbraw/zinc/96/61/15/947966115.db2.gz QVPARPLTJKWXGE-CHWSQXEVSA-N -1 3 343.475 3.536 20 0 EHADHM C[C@@H](C(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1)[C@@H](C)C(C)(C)C ZINC001573654441 947966127 /nfs/dbraw/zinc/96/61/27/947966127.db2.gz QVPARPLTJKWXGE-CHWSQXEVSA-N -1 3 343.475 3.536 20 0 EHADHM C[C@@H](CC(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1)CC(C)(C)C ZINC001574472491 949553551 /nfs/dbraw/zinc/55/35/51/949553551.db2.gz VMBUMQSEOBPBSO-UONOGXRCSA-N -1 3 343.475 3.849 20 0 EHADHM C[C@@H](CC(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1)CC(C)(C)C ZINC001574472491 949553564 /nfs/dbraw/zinc/55/35/64/949553564.db2.gz VMBUMQSEOBPBSO-UONOGXRCSA-N -1 3 343.475 3.849 20 0 EHADHM 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CCN(CCC(=O)[O-])Cc1c(C)cc(C)nc1OCc1ccccc1 ZINC000584237277 974952321 /nfs/dbraw/zinc/95/23/21/974952321.db2.gz SBJWPTXXUVKNDG-UHFFFAOYSA-N -1 3 342.439 3.574 20 0 EHADHM COC[C@H](C)N(Cc1ccc(C(=O)[O-])o1)[C@@H]1CCc2ccccc21 ZINC000629376643 975091035 /nfs/dbraw/zinc/09/10/35/975091035.db2.gz YVJMONKGRLFMTG-SUMWQHHRSA-N -1 3 329.396 3.502 20 0 EHADHM CC(C)O[C@@H](CN[C@](C)(CC(=O)[O-])c1ccccn1)c1ccccc1 ZINC001591686219 975493980 /nfs/dbraw/zinc/49/39/80/975493980.db2.gz JJPQSLIIVFWNQL-FXAWDEMLSA-N -1 3 342.439 3.527 20 0 EHADHM O=C([O-])[C@H]1c2ccccc2CCN1CCSc1ccc(F)cc1F ZINC000662240106 975910848 /nfs/dbraw/zinc/91/08/48/975910848.db2.gz ZZEQSRSRCXYMLE-QGZVFWFLSA-N -1 3 349.402 3.741 20 0 EHADHM CCCOc1ccc(CN2CCC(CCC(=O)[O-])CC2)cc1OC ZINC000665342157 975957054 /nfs/dbraw/zinc/95/70/54/975957054.db2.gz RZUXWKGCPDXJKS-UHFFFAOYSA-N -1 3 335.444 3.561 20 0 EHADHM C[C@@H](C[C@H](O)c1ccccc1)NCc1cc(C(=O)[O-])ccc1Cl ZINC001592460929 978185692 /nfs/dbraw/zinc/18/56/92/978185692.db2.gz 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ZINC000846260464 979430168 /nfs/dbraw/zinc/43/01/68/979430168.db2.gz FOLKWVBLXZZOQC-IBGZPJMESA-N -1 3 339.391 3.605 20 0 EHADHM C[C@@](Cc1ccc(F)cc1)(NCc1nsc2ccccc12)C(=O)[O-] ZINC001592853756 979647367 /nfs/dbraw/zinc/64/73/67/979647367.db2.gz JFGXBKBYRPJEOQ-SFHVURJKSA-N -1 3 344.411 3.611 20 0 EHADHM [O-]c1ccc(F)c(CNCCOc2cccc(C(F)(F)F)c2)c1F ZINC000510064952 1014600873 /nfs/dbraw/zinc/60/08/73/1014600873.db2.gz MDRWDOVDNFTKSN-UHFFFAOYSA-N -1 3 347.283 3.858 20 0 EHADHM CC[C@@H](Cc1ccc(C)cc1)N(CC)Cc1nc(C(=O)[O-])cs1 ZINC001595204765 979978683 /nfs/dbraw/zinc/97/86/83/979978683.db2.gz NUDAIZDGGNMEHK-HNNXBMFYSA-N -1 3 332.469 3.993 20 0 EHADHM COc1ccccc1[C@@H]1CCCN(Cc2cc(C(=O)[O-])co2)CC1 ZINC000872166581 980062417 /nfs/dbraw/zinc/06/24/17/980062417.db2.gz ZCSMMFAHFFZJDK-CQSZACIVSA-N -1 3 329.396 3.756 20 0 EHADHM CN(CCc1nccs1)Cc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC000901437223 980285511 /nfs/dbraw/zinc/28/55/11/980285511.db2.gz QBLXXKPVVXMQJL-UHFFFAOYSA-N -1 3 344.358 3.535 20 0 EHADHM 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/nfs/dbraw/zinc/71/13/23/1131711323.db2.gz DLTSBZFBAHDKSV-UHFFFAOYSA-N -1 3 334.278 3.628 20 0 EHADHM O=C(OCc1cccc(OC(F)F)c1)c1cc(-c2ccco2)n[n-]1 ZINC000065325944 1131711328 /nfs/dbraw/zinc/71/13/28/1131711328.db2.gz DLTSBZFBAHDKSV-UHFFFAOYSA-N -1 3 334.278 3.628 20 0 EHADHM CCC[C@]1(C)CCCN(Cn2[n-]c(-c3ccccn3)nc2=S)C1 ZINC000743404469 1131917384 /nfs/dbraw/zinc/91/73/84/1131917384.db2.gz SOWKLBNIELSKSS-QGZVFWFLSA-N -1 3 331.489 3.862 20 0 EHADHM [O-]c1cncc(-c2nc(-c3ccc(Oc4ccccc4)nc3)no2)c1 ZINC001212709719 1131988783 /nfs/dbraw/zinc/98/87/83/1131988783.db2.gz KDNDDHPZKGBUAH-UHFFFAOYSA-N -1 3 332.319 3.692 20 0 EHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3cccc4c3CCC4)c2)n1 ZINC000744218080 1132048374 /nfs/dbraw/zinc/04/83/74/1132048374.db2.gz SSRYLTWFSKVMBT-UHFFFAOYSA-N -1 3 346.386 3.866 20 0 EHADHM COc1cccc([C@H](C)OC(=O)c2cc(-c3ccc(C)o3)[n-]n2)c1 ZINC000744326338 1132073961 /nfs/dbraw/zinc/07/39/61/1132073961.db2.gz DKBVHSLWDFBJCY-LBPRGKRZSA-N -1 3 326.352 3.905 20 0 EHADHM COc1cccc([C@H](C)OC(=O)c2cc(-c3ccc(C)o3)n[n-]2)c1 ZINC000744326338 1132073968 /nfs/dbraw/zinc/07/39/68/1132073968.db2.gz DKBVHSLWDFBJCY-LBPRGKRZSA-N -1 3 326.352 3.905 20 0 EHADHM O=C(c1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1)N1CCCC1 ZINC001174066428 1132215259 /nfs/dbraw/zinc/21/52/59/1132215259.db2.gz MOQYTEOWXROTIZ-UHFFFAOYSA-N -1 3 348.406 3.558 20 0 EHADHM CC(C)(C)c1nnc([N-]c2cccc(C(=O)NCc3ccco3)c2)o1 ZINC001174196872 1132279794 /nfs/dbraw/zinc/27/97/94/1132279794.db2.gz BYGRCFNLGHAUFQ-UHFFFAOYSA-N -1 3 340.383 3.634 20 0 EHADHM Cn1ncc2ccc(Nc3cc(Br)cc(F)c3[O-])cc21 ZINC001174341877 1132324421 /nfs/dbraw/zinc/32/44/21/1132324421.db2.gz YLMWLZAXDPTUFT-UHFFFAOYSA-N -1 3 336.164 3.924 20 0 EHADHM CNc1ncc2cc(Nc3cccc([O-])c3Br)ccc2n1 ZINC001174534519 1132386444 /nfs/dbraw/zinc/38/64/44/1132386444.db2.gz VBCUFNYVMMWQLC-UHFFFAOYSA-N -1 3 345.200 3.883 20 0 EHADHM O=C(Nc1cc(Br)ccc1[O-])c1coc(C2CCC2)n1 ZINC000192827077 1132476521 /nfs/dbraw/zinc/47/65/21/1132476521.db2.gz 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ZINC001175635269 1132719616 /nfs/dbraw/zinc/71/96/16/1132719616.db2.gz SZCWIJMGBKSNMQ-UHFFFAOYSA-N -1 3 335.201 3.648 20 0 EHADHM Cc1nc(Nc2ccc(Cl)c([O-])c2)nc(C)c1Br ZINC001212588371 1132720908 /nfs/dbraw/zinc/72/09/08/1132720908.db2.gz MXCJUKDBIMBLSH-UHFFFAOYSA-N -1 3 328.597 3.959 20 0 EHADHM CCOC(=O)c1cnn(C(C)(C)C)c1Nc1ccc(Cl)c([O-])c1 ZINC001212591595 1132787831 /nfs/dbraw/zinc/78/78/31/1132787831.db2.gz UUTXIWPXBQXUCG-UHFFFAOYSA-N -1 3 337.807 3.917 20 0 EHADHM NC(=O)c1ccc(N2CCCCC2)c(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212592416 1132812223 /nfs/dbraw/zinc/81/22/23/1132812223.db2.gz OKVIEWPBQJHYPE-UHFFFAOYSA-N -1 3 345.830 3.878 20 0 EHADHM O=C1NC(=O)c2ccc(Nc3ccc(Cl)c([O-])c3)c3cccc1c23 ZINC001212594172 1132840041 /nfs/dbraw/zinc/84/00/41/1132840041.db2.gz SCNAPXOJWAJNFY-UHFFFAOYSA-N -1 3 338.750 3.826 20 0 EHADHM Cc1noc(C)c1[N-]c1nc(Cl)nc2c1ncn2[C@@H]1CCCCO1 ZINC001176178024 1132858128 /nfs/dbraw/zinc/85/81/28/1132858128.db2.gz RIOMWKPPWGFPIU-JTQLQIEISA-N -1 3 348.794 3.527 20 0 EHADHM COc1c(Cl)cc(Nc2ccc(C(N)=O)c([O-])c2)cc1Cl ZINC001176316820 1132912968 /nfs/dbraw/zinc/91/29/68/1132912968.db2.gz SMZXNBZKFCVHIN-UHFFFAOYSA-N -1 3 327.167 3.550 20 0 EHADHM CC(C)c1ccc(C(=O)NC[C@H](CO)c2ccc(Cl)cc2)c([O-])c1 ZINC001176959763 1133016451 /nfs/dbraw/zinc/01/64/51/1133016451.db2.gz WULQFJFIDNEYIQ-OAHLLOKOSA-N -1 3 347.842 3.675 20 0 EHADHM CC[C@@H](SC)C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000767673219 1133030202 /nfs/dbraw/zinc/03/02/02/1133030202.db2.gz LBGDVMRYPVMPAR-PSASIEDQSA-N -1 3 340.470 3.760 20 0 EHADHM O=C(Nc1ncccc1[O-])C1(Cc2ccccn2)CCC(F)(F)CC1 ZINC001178001985 1133123103 /nfs/dbraw/zinc/12/31/03/1133123103.db2.gz YOTGLNOOWIAXPW-UHFFFAOYSA-N -1 3 347.365 3.559 20 0 EHADHM Cc1[nH]nc2cc([N-]S(=O)(=O)c3cccc4c3CCCC4)ccc12 ZINC000769638626 1133319170 /nfs/dbraw/zinc/31/91/70/1133319170.db2.gz PXNXUCITKMEMJE-UHFFFAOYSA-N -1 3 341.436 3.551 20 0 EHADHM Cc1nc(NC(=O)c2c([O-])cccc2O)sc1-c1ccccc1 ZINC000770395254 1133423405 /nfs/dbraw/zinc/42/34/05/1133423405.db2.gz RIHXMGJWZLCFMP-UHFFFAOYSA-N -1 3 326.377 3.782 20 0 EHADHM CC(=O)c1cccc([O-])c1NC(=O)C1CC(OCc2ccccc2)C1 ZINC001180937520 1133432610 /nfs/dbraw/zinc/43/26/10/1133432610.db2.gz DDHAWTIBUOIKTI-UHFFFAOYSA-N -1 3 339.391 3.529 20 0 EHADHM COC(=O)c1cccc([O-])c1NC(=O)Nc1c(C)cc(C)cc1C ZINC001181267274 1133474116 /nfs/dbraw/zinc/47/41/16/1133474116.db2.gz YGWILVOSGOWTRU-UHFFFAOYSA-N -1 3 328.368 3.748 20 0 EHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCc2ncccc21 ZINC000771069078 1133505063 /nfs/dbraw/zinc/50/50/63/1133505063.db2.gz VXYUOFLPDVJVIN-UHFFFAOYSA-N -1 3 330.387 3.581 20 0 EHADHM O=C(Nc1cc(Br)ccc1[O-])c1csc(Cl)n1 ZINC000771628914 1133578423 /nfs/dbraw/zinc/57/84/23/1133578423.db2.gz GTVDGEZIEGIRMH-UHFFFAOYSA-N -1 3 333.594 3.517 20 0 EHADHM C[C@H](C(=O)NCc1ncccc1[O-])c1cccc(Oc2ccccc2)c1 ZINC001182744026 1133727884 /nfs/dbraw/zinc/72/78/84/1133727884.db2.gz XSVDZCGEEDISBH-HNNXBMFYSA-N -1 3 348.402 3.999 20 0 EHADHM CC(C)[C@@H](OC(=O)c1cc2occc2[n-]1)C(=O)N(C)C1CCCCC1 ZINC000786033066 1133793639 /nfs/dbraw/zinc/79/36/39/1133793639.db2.gz HSJAJUZNNQIQND-QGZVFWFLSA-N -1 3 346.427 3.733 20 0 EHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccncc3C)nc(=O)c2c1C ZINC000786033668 1133794395 /nfs/dbraw/zinc/79/43/95/1133794395.db2.gz STGZZLHYFHMPLC-JTQLQIEISA-N -1 3 343.408 3.635 20 0 EHADHM CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)[N-]OCC(F)F ZINC000786206647 1133815464 /nfs/dbraw/zinc/81/54/64/1133815464.db2.gz DLDYSHKXJLPXAS-UHFFFAOYSA-N -1 3 325.277 3.587 20 0 EHADHM CSc1ccc(S(=O)(=O)[N-]c2cc(C)cnc2Cl)cc1 ZINC000786879801 1133922837 /nfs/dbraw/zinc/92/28/37/1133922837.db2.gz HMDVFSBAYBZZQI-UHFFFAOYSA-N -1 3 328.846 3.566 20 0 EHADHM Cc1noc(-c2ccc(C(=O)Nc3ccc(Cl)cc3[O-])cc2)n1 ZINC000153457134 1133924297 /nfs/dbraw/zinc/92/42/97/1133924297.db2.gz LTOPFXKFJZDXBG-UHFFFAOYSA-N -1 3 329.743 3.656 20 0 EHADHM CCc1ccc(C(=O)Nc2ccccc2[C@H](O)C(F)(F)F)c([O-])c1 ZINC000787235948 1133983003 /nfs/dbraw/zinc/98/30/03/1133983003.db2.gz QDQTUGRPMPZKQH-HNNXBMFYSA-N -1 3 339.313 3.803 20 0 EHADHM O=S(=O)([N-]C1CCC2(CCCC2)CC1)c1cccnc1Cl ZINC001184884871 1133996462 /nfs/dbraw/zinc/99/64/62/1133996462.db2.gz OPXSYMZSIBSVRH-UHFFFAOYSA-N -1 3 328.865 3.516 20 0 EHADHM O=C([N-]c1cc(Cl)nc(Cl)c1)c1cc(-c2ccccn2)no1 ZINC000787934782 1134055397 /nfs/dbraw/zinc/05/53/97/1134055397.db2.gz KGEWMWUONJMOCW-UHFFFAOYSA-N -1 3 335.150 3.691 20 0 EHADHM O=S(=O)([N-]C[C@@H]1CCC(F)(F)C1)c1cc2ccccc2s1 ZINC001185468646 1134094046 /nfs/dbraw/zinc/09/40/46/1134094046.db2.gz CDYZDKLDSJQZAC-SNVBAGLBSA-N -1 3 331.409 3.615 20 0 EHADHM C[C@H](CNC(=O)c1cc2sccc2c([O-])c1)N(C)c1ccccc1 ZINC000788282614 1134107210 /nfs/dbraw/zinc/10/72/10/1134107210.db2.gz RIGOAQQMHSEDEF-CYBMUJFWSA-N -1 3 340.448 3.862 20 0 EHADHM COCc1ccc(CNC(=O)c2cc3sccc3c([O-])c2)cc1 ZINC000788282391 1134107536 /nfs/dbraw/zinc/10/75/36/1134107536.db2.gz XJFRAKARXGPDGZ-UHFFFAOYSA-N -1 3 327.405 3.683 20 0 EHADHM COC(=O)c1cnc(SCCSc2ccc(Cl)cc2)[n-]1 ZINC000788504993 1134133630 /nfs/dbraw/zinc/13/36/30/1134133630.db2.gz 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1134342268 /nfs/dbraw/zinc/34/22/68/1134342268.db2.gz HNHPDNFPXTURGR-UHFFFAOYSA-N -1 3 346.696 3.807 20 0 EHADHM O=S(=O)([N-][C@@H]1C[C@@H]1C1CCCCC1)c1cnc(Cl)c(Cl)c1 ZINC001187563230 1134352566 /nfs/dbraw/zinc/35/25/66/1134352566.db2.gz DJUKNTNSQNPFBB-DGCLKSJQSA-N -1 3 349.283 3.636 20 0 EHADHM Cc1csc2nc(C)nc(NCCc3c(F)cc([O-])cc3F)c12 ZINC001187709192 1134371918 /nfs/dbraw/zinc/37/19/18/1134371918.db2.gz QKOHIASKBRJJTI-UHFFFAOYSA-N -1 3 335.379 3.947 20 0 EHADHM O=C(Nc1ccc2c(c1)OCO2)Nc1c([O-])cccc1C(F)(F)F ZINC001187872666 1134397267 /nfs/dbraw/zinc/39/72/67/1134397267.db2.gz YSPABAKRTAQCHO-UHFFFAOYSA-N -1 3 340.257 3.784 20 0 EHADHM Cc1ccc(NC(=O)Nc2ncc([O-])cc2Br)cc1F ZINC001187962515 1134399684 /nfs/dbraw/zinc/39/96/84/1134399684.db2.gz ULCPWCVAFHSGQB-UHFFFAOYSA-N -1 3 340.152 3.641 20 0 EHADHM CCCC(CCC)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC001187980145 1134407696 /nfs/dbraw/zinc/40/76/96/1134407696.db2.gz RFDFXKDLUSHACE-UHFFFAOYSA-N -1 3 325.261 3.636 20 0 EHADHM [O-]c1ccccc1-c1nnc(CSc2ccc3c(c2)OCCO3)o1 ZINC001188242799 1134441252 /nfs/dbraw/zinc/44/12/52/1134441252.db2.gz BUFGAFRTTKJTIY-UHFFFAOYSA-N -1 3 342.376 3.506 20 0 EHADHM O=c1cc(CSc2nccn2-c2cccc(F)c2)nc(C2CC2)[n-]1 ZINC001188384571 1134457030 /nfs/dbraw/zinc/45/70/30/1134457030.db2.gz RUVFOAWKQMEUDD-UHFFFAOYSA-N -1 3 342.399 3.677 20 0 EHADHM COc1ccc(NC(=O)[N-]c2cc(-c3ccco3)no2)c(OC)c1 ZINC001188511232 1134474759 /nfs/dbraw/zinc/47/47/59/1134474759.db2.gz AQXKZRUIEKFWKA-UHFFFAOYSA-N -1 3 329.312 3.596 20 0 EHADHM Cc1cccc([O-])c1C(=O)Nc1ccc(OC[C@H]2CCCO2)c(F)c1 ZINC001188649062 1134487054 /nfs/dbraw/zinc/48/70/54/1134487054.db2.gz QELMNXAQDITEED-CQSZACIVSA-N -1 3 345.370 3.650 20 0 EHADHM CN(Cc1ccc(Cl)nc1)C(=O)c1cc2sccc2c([O-])c1 ZINC000791316094 1134535233 /nfs/dbraw/zinc/53/52/33/1134535233.db2.gz HKVGEVMNHOLZJW-UHFFFAOYSA-N -1 3 332.812 3.928 20 0 EHADHM O=S(=O)(Cc1cccc(F)c1F)[N-]c1ccc2scnc2c1 ZINC001189453736 1134589211 /nfs/dbraw/zinc/58/92/11/1134589211.db2.gz 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/nfs/dbraw/zinc/49/38/53/1140493853.db2.gz LFVLOQODZDJVCE-UHFFFAOYSA-N -1 3 331.334 3.649 20 0 EHADHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000266907302 1140736868 /nfs/dbraw/zinc/73/68/68/1140736868.db2.gz BOIHIXROGNGQDJ-UKRRQHHQSA-N -1 3 339.464 3.850 20 0 EHADHM CCCCO[C@@H]1C[C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C1(C)C ZINC000267227458 1140769608 /nfs/dbraw/zinc/76/96/08/1140769608.db2.gz IOMWLOCKMVMZBE-ZWKOTPCHSA-N -1 3 342.439 3.654 20 0 EHADHM COc1cc(C(=O)N[C@@H](c2ccccc2C)C2CC2)cc(OC)c1[O-] ZINC000270733376 1141263438 /nfs/dbraw/zinc/26/34/38/1141263438.db2.gz OCKDMDAWHWPGLD-GOSISDBHSA-N -1 3 341.407 3.599 20 0 EHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)c3ccccn3)c2)n1 ZINC000339261208 1141542343 /nfs/dbraw/zinc/54/23/43/1141542343.db2.gz WFBZVUACRFCGMD-ZDUSSCGKSA-N -1 3 348.406 3.549 20 0 EHADHM CC(C)[C@H](NC(=O)NCc1ncccc1[O-])c1ccc(Cl)cc1 ZINC000349137544 1141643523 /nfs/dbraw/zinc/64/35/23/1141643523.db2.gz CORNTDPWJJOQPH-INIZCTEOSA-N -1 3 333.819 3.637 20 0 EHADHM COc1cc(C)c([C@H](C)NC(=O)c2cc(C)ccc2[O-])cc1OC ZINC000097335170 219013031 /nfs/dbraw/zinc/01/30/31/219013031.db2.gz JXVMIIZOPHRNEW-ZDUSSCGKSA-N -1 3 329.396 3.517 20 0 EHADHM Cc1cc(C)c(-c2cc(NC(=O)c3ccc4n[n-]nc4c3)n[nH]2)cc1C ZINC000617357260 480185650 /nfs/dbraw/zinc/18/56/50/480185650.db2.gz CWSBUTNLBCTTBK-UHFFFAOYSA-N -1 3 346.394 3.526 20 0 EHADHM CCc1c(C)sc(NC(=O)[C@@H](C)CC2CCCC2)c1-c1nnn[n-]1 ZINC000736669234 598905831 /nfs/dbraw/zinc/90/58/31/598905831.db2.gz AFGPTVIZRNLEJY-JTQLQIEISA-N -1 3 347.488 3.954 20 0 EHADHM CCc1c(C)sc(NC(=O)[C@@H](C)CC2CCCC2)c1-c1nn[n-]n1 ZINC000736669234 598905833 /nfs/dbraw/zinc/90/58/33/598905833.db2.gz AFGPTVIZRNLEJY-JTQLQIEISA-N -1 3 347.488 3.954 20 0 EHADHM CCC[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000736435270 598935565 /nfs/dbraw/zinc/93/55/65/598935565.db2.gz ANZVTTUMQISOHU-CQSZACIVSA-N -1 3 328.807 3.868 20 0 EHADHM CCC[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000736435270 598935567 /nfs/dbraw/zinc/93/55/67/598935567.db2.gz ANZVTTUMQISOHU-CQSZACIVSA-N -1 3 328.807 3.868 20 0 EHADHM Cc1cc(Oc2ncc(-c3nnn[n-]3)cc2Cl)cc(C)c1Cl ZINC000737279692 598937608 /nfs/dbraw/zinc/93/76/08/598937608.db2.gz LOJZLOIQJJQORJ-UHFFFAOYSA-N -1 3 336.182 3.978 20 0 EHADHM Cc1cc(Oc2ncc(-c3nn[n-]n3)cc2Cl)cc(C)c1Cl ZINC000737279692 598937610 /nfs/dbraw/zinc/93/76/10/598937610.db2.gz LOJZLOIQJJQORJ-UHFFFAOYSA-N -1 3 336.182 3.978 20 0 EHADHM Cc1ccc(-c2ncc(C=Cc3ccc(-c4nnn[n-]4)cn3)s2)cc1 ZINC000737288493 598978459 /nfs/dbraw/zinc/97/84/59/598978459.db2.gz NRQWGMCNAXDCEN-HJWRWDBZSA-N -1 3 346.419 3.864 20 0 EHADHM Cc1ccc(-c2ncc(C=Cc3ccc(-c4nn[n-]n4)cn3)s2)cc1 ZINC000737288493 598978460 /nfs/dbraw/zinc/97/84/60/598978460.db2.gz NRQWGMCNAXDCEN-HJWRWDBZSA-N -1 3 346.419 3.864 20 0 EHADHM CCCCC[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000736441786 599008723 /nfs/dbraw/zinc/00/87/23/599008723.db2.gz UNLDNNGQFMRCKZ-INIZCTEOSA-N -1 3 343.475 3.520 20 0 EHADHM CCCCC[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000736441786 599008725 /nfs/dbraw/zinc/00/87/25/599008725.db2.gz UNLDNNGQFMRCKZ-INIZCTEOSA-N -1 3 343.475 3.520 20 0 EHADHM Cc1nn(C)c(Cl)c1CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737512574 599326926 /nfs/dbraw/zinc/32/69/26/599326926.db2.gz XPBDIRQFEGLENQ-SNVBAGLBSA-N -1 3 348.863 3.556 20 0 EHADHM Cc1nn(C)c(Cl)c1CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737512574 599326928 /nfs/dbraw/zinc/32/69/28/599326928.db2.gz XPBDIRQFEGLENQ-SNVBAGLBSA-N -1 3 348.863 3.556 20 0 EHADHM CC(C)[C@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccccc1Cl ZINC000735733268 599057805 /nfs/dbraw/zinc/05/78/05/599057805.db2.gz GWGFBFUFGIWPJS-HNNXBMFYSA-N -1 3 328.807 3.724 20 0 EHADHM CC(C)[C@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccccc1Cl ZINC000735733268 599057808 /nfs/dbraw/zinc/05/78/08/599057808.db2.gz GWGFBFUFGIWPJS-HNNXBMFYSA-N -1 3 328.807 3.724 20 0 EHADHM C[C@H](CNc1cc(Cl)ccc1-c1nnn[n-]1)Oc1ccc(F)cc1 ZINC000820274296 599066672 /nfs/dbraw/zinc/06/66/72/599066672.db2.gz GNUILNJVSYLGGK-SNVBAGLBSA-N -1 3 347.781 3.539 20 0 EHADHM C[C@H](CNc1cc(Cl)ccc1-c1nn[n-]n1)Oc1ccc(F)cc1 ZINC000820274296 599066674 /nfs/dbraw/zinc/06/66/74/599066674.db2.gz GNUILNJVSYLGGK-SNVBAGLBSA-N -1 3 347.781 3.539 20 0 EHADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cc1F)Sc1ccccc1 ZINC000820276487 599079576 /nfs/dbraw/zinc/07/95/76/599079576.db2.gz XFBQLPDQDGBBAT-LLVKDONJSA-N -1 3 329.404 3.599 20 0 EHADHM c1csc([C@@H](Cc2ccccc2)Nc2ncccc2-c2nnn[n-]2)c1 ZINC000738428235 599207267 /nfs/dbraw/zinc/20/72/67/599207267.db2.gz MSXRZAKOYLFNQJ-OAHLLOKOSA-N -1 3 348.435 3.719 20 0 EHADHM c1csc([C@@H](Cc2ccccc2)Nc2ncccc2-c2nn[n-]n2)c1 ZINC000738428235 599207269 /nfs/dbraw/zinc/20/72/69/599207269.db2.gz MSXRZAKOYLFNQJ-OAHLLOKOSA-N -1 3 348.435 3.719 20 0 EHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@@H](CC1CC1)c1ccccc1 ZINC000823360334 599248767 /nfs/dbraw/zinc/24/87/67/599248767.db2.gz ZFOHBNHZZPDOKC-KRWDZBQOSA-N -1 3 348.410 3.530 20 0 EHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@@H](CC1CC1)c1ccccc1 ZINC000823360334 599248768 /nfs/dbraw/zinc/24/87/68/599248768.db2.gz ZFOHBNHZZPDOKC-KRWDZBQOSA-N -1 3 348.410 3.530 20 0 EHADHM C[C@H](Sc1nc2ccccc2n1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736189747 599284824 /nfs/dbraw/zinc/28/48/24/599284824.db2.gz BTFLDDXRSUPDLU-NSHDSACASA-N -1 3 336.424 3.607 20 0 EHADHM C[C@H](Sc1nc2ccccc2n1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189747 599284828 /nfs/dbraw/zinc/28/48/28/599284828.db2.gz BTFLDDXRSUPDLU-NSHDSACASA-N -1 3 336.424 3.607 20 0 EHADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CCCC1 ZINC000738182309 598231208 /nfs/dbraw/zinc/23/12/08/598231208.db2.gz CHFXELNGKLQRSK-UHFFFAOYSA-N -1 3 349.394 3.788 20 0 EHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CCCC1 ZINC000738182309 598231209 /nfs/dbraw/zinc/23/12/09/598231209.db2.gz CHFXELNGKLQRSK-UHFFFAOYSA-N -1 3 349.394 3.788 20 0 EHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)c(Cl)c1 ZINC000736137777 598241757 /nfs/dbraw/zinc/24/17/57/598241757.db2.gz MHGWQMNYXLKTLD-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM Cc1cccc2c1CC[C@@H]2Nc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000737408116 598243708 /nfs/dbraw/zinc/24/37/08/598243708.db2.gz GGRHUAFAANSKMX-HNNXBMFYSA-N -1 3 327.338 3.553 20 0 EHADHM Cc1cccc2c1CC[C@@H]2Nc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000737408116 598243711 /nfs/dbraw/zinc/24/37/11/598243711.db2.gz GGRHUAFAANSKMX-HNNXBMFYSA-N -1 3 327.338 3.553 20 0 EHADHM COc1cccc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000737131506 598274267 /nfs/dbraw/zinc/27/42/67/598274267.db2.gz DOIBJZFIMINZQF-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM COc1cccc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000737131506 598274269 /nfs/dbraw/zinc/27/42/69/598274269.db2.gz DOIBJZFIMINZQF-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM c1ccc(CCCSCCOc2ccccc2-c2nnn[n-]2)cc1 ZINC000738426756 598274371 /nfs/dbraw/zinc/27/43/71/598274371.db2.gz GTOVDUXXRWPHEH-UHFFFAOYSA-N -1 3 340.452 3.612 20 0 EHADHM c1ccc(CCCSCCOc2ccccc2-c2nn[n-]n2)cc1 ZINC000738426756 598274373 /nfs/dbraw/zinc/27/43/73/598274373.db2.gz GTOVDUXXRWPHEH-UHFFFAOYSA-N -1 3 340.452 3.612 20 0 EHADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(Cl)cc1 ZINC000736138718 598386230 /nfs/dbraw/zinc/38/62/30/598386230.db2.gz QXVXOFPSKBBKKI-MRVPVSSYSA-N -1 3 335.198 3.742 20 0 EHADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(Cl)cc1 ZINC000736138718 598386231 /nfs/dbraw/zinc/38/62/31/598386231.db2.gz QXVXOFPSKBBKKI-MRVPVSSYSA-N -1 3 335.198 3.742 20 0 EHADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1Cl ZINC000736139696 598386395 /nfs/dbraw/zinc/38/63/95/598386395.db2.gz XEAKDOSAOBRVQV-MRVPVSSYSA-N -1 3 335.198 3.742 20 0 EHADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1Cl ZINC000736139696 598386396 /nfs/dbraw/zinc/38/63/96/598386396.db2.gz XEAKDOSAOBRVQV-MRVPVSSYSA-N -1 3 335.198 3.742 20 0 EHADHM Clc1cc(-c2nnn[n-]2)cnc1NCc1cc2ccccc2s1 ZINC000737558043 598392437 /nfs/dbraw/zinc/39/24/37/598392437.db2.gz JNEFRZXDIJSIFV-UHFFFAOYSA-N -1 3 342.815 3.742 20 0 EHADHM Clc1cc(-c2nn[n-]n2)cnc1NCc1cc2ccccc2s1 ZINC000737558043 598392439 /nfs/dbraw/zinc/39/24/39/598392439.db2.gz JNEFRZXDIJSIFV-UHFFFAOYSA-N -1 3 342.815 3.742 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H]1CCCc2ccccc21 ZINC000737290655 598493664 /nfs/dbraw/zinc/49/36/64/598493664.db2.gz FGLFQWMGQVXENX-OAHLLOKOSA-N -1 3 347.422 3.624 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H]1CCCc2ccccc21 ZINC000737290655 598493665 /nfs/dbraw/zinc/49/36/65/598493665.db2.gz FGLFQWMGQVXENX-OAHLLOKOSA-N -1 3 347.422 3.624 20 0 EHADHM c1cc(-c2nc(CSc3ccc(-c4nnn[n-]4)cc3)cs2)co1 ZINC000738405137 598493769 /nfs/dbraw/zinc/49/37/69/598493769.db2.gz MBDBJHWDKPIBBE-UHFFFAOYSA-N -1 3 341.421 3.876 20 0 EHADHM c1cc(-c2nc(CSc3ccc(-c4nn[n-]n4)cc3)cs2)co1 ZINC000738405137 598493770 /nfs/dbraw/zinc/49/37/70/598493770.db2.gz MBDBJHWDKPIBBE-UHFFFAOYSA-N -1 3 341.421 3.876 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H]1CCCc2ccccc21 ZINC000737290652 598493897 /nfs/dbraw/zinc/49/38/97/598493897.db2.gz FGLFQWMGQVXENX-HNNXBMFYSA-N -1 3 347.422 3.624 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H]1CCCc2ccccc21 ZINC000737290652 598493899 /nfs/dbraw/zinc/49/38/99/598493899.db2.gz FGLFQWMGQVXENX-HNNXBMFYSA-N -1 3 347.422 3.624 20 0 EHADHM CCc1c(C)sc(NC(=O)c2cc(C)ccc2C)c1-c1nnn[n-]1 ZINC000736676348 598519020 /nfs/dbraw/zinc/51/90/20/598519020.db2.gz SILBBZLZFZBTSH-UHFFFAOYSA-N -1 3 341.440 3.668 20 0 EHADHM CCc1c(C)sc(NC(=O)c2cc(C)ccc2C)c1-c1nn[n-]n1 ZINC000736676348 598519022 /nfs/dbraw/zinc/51/90/22/598519022.db2.gz SILBBZLZFZBTSH-UHFFFAOYSA-N -1 3 341.440 3.668 20 0 EHADHM Fc1ccc(Cl)c(NCCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737659614 598553046 /nfs/dbraw/zinc/55/30/46/598553046.db2.gz KCAUFKPCQATTKA-UHFFFAOYSA-N -1 3 347.781 3.540 20 0 EHADHM Fc1ccc(C(F)(F)F)cc1NCc1ccccc1-c1nnn[n-]1 ZINC000737650390 598553468 /nfs/dbraw/zinc/55/34/68/598553468.db2.gz ORANOGJNEHIQMM-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Fc1ccc(C(F)(F)F)cc1NCc1ccccc1-c1nn[n-]n1 ZINC000737650390 598553469 /nfs/dbraw/zinc/55/34/69/598553469.db2.gz ORANOGJNEHIQMM-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Cc1cccc(OC(F)F)c1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737401037 598602770 /nfs/dbraw/zinc/60/27/70/598602770.db2.gz JFHNELKFDRDWGQ-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM Cc1cccc(OC(F)F)c1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737401037 598602772 /nfs/dbraw/zinc/60/27/72/598602772.db2.gz JFHNELKFDRDWGQ-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM CC(C)[C@H](CC(=O)Nc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000735711239 598646473 /nfs/dbraw/zinc/64/64/73/598646473.db2.gz XETWQNCJWZVUKB-INIZCTEOSA-N -1 3 335.411 3.635 20 0 EHADHM CC(C)[C@H](CC(=O)Nc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000735711239 598646474 /nfs/dbraw/zinc/64/64/74/598646474.db2.gz XETWQNCJWZVUKB-INIZCTEOSA-N -1 3 335.411 3.635 20 0 EHADHM C[C@H](N[C@@H](C)c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736136124 598786879 /nfs/dbraw/zinc/78/68/79/598786879.db2.gz ZXFCPBRMWCURDW-QWRGUYRKSA-N -1 3 329.354 3.557 20 0 EHADHM Clc1ccc([C@H](Nc2ncccc2-c2nnn[n-]2)C2CCC2)cc1 ZINC000737571251 598798131 /nfs/dbraw/zinc/79/81/31/598798131.db2.gz YAXNGTCHYZRHFV-OAHLLOKOSA-N -1 3 340.818 3.868 20 0 EHADHM Clc1ccc([C@H](Nc2ncccc2-c2nn[n-]n2)C2CCC2)cc1 ZINC000737571251 598798132 /nfs/dbraw/zinc/79/81/32/598798132.db2.gz YAXNGTCHYZRHFV-OAHLLOKOSA-N -1 3 340.818 3.868 20 0 EHADHM c1cc(-c2nc(CSc3ccccc3-c3nnn[n-]3)cs2)co1 ZINC000823771650 599348752 /nfs/dbraw/zinc/34/87/52/599348752.db2.gz BIFHQGDUUJMGBP-UHFFFAOYSA-N -1 3 341.421 3.876 20 0 EHADHM c1cc(-c2nc(CSc3ccccc3-c3nn[n-]n3)cs2)co1 ZINC000823771650 599348754 /nfs/dbraw/zinc/34/87/54/599348754.db2.gz BIFHQGDUUJMGBP-UHFFFAOYSA-N -1 3 341.421 3.876 20 0 EHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1cc2occc2s1 ZINC000738163362 599373660 /nfs/dbraw/zinc/37/36/60/599373660.db2.gz MUQFBXPSJBMPIB-UHFFFAOYSA-N -1 3 345.771 3.580 20 0 EHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1cc2occc2s1 ZINC000738163362 599373663 /nfs/dbraw/zinc/37/36/63/599373663.db2.gz MUQFBXPSJBMPIB-UHFFFAOYSA-N -1 3 345.771 3.580 20 0 EHADHM CSCc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821969979 599374729 /nfs/dbraw/zinc/37/47/29/599374729.db2.gz HYMWHRXXEWCFAP-LBPRGKRZSA-N -1 3 325.441 3.903 20 0 EHADHM CSCc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821969979 599374731 /nfs/dbraw/zinc/37/47/31/599374731.db2.gz HYMWHRXXEWCFAP-LBPRGKRZSA-N -1 3 325.441 3.903 20 0 EHADHM CCCOc1ccc([C@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821134456 599502148 /nfs/dbraw/zinc/50/21/48/599502148.db2.gz VRRKOQLAQQKXAT-LBPRGKRZSA-N -1 3 341.390 3.968 20 0 EHADHM CCCOc1ccc([C@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821134456 599502149 /nfs/dbraw/zinc/50/21/49/599502149.db2.gz VRRKOQLAQQKXAT-LBPRGKRZSA-N -1 3 341.390 3.968 20 0 EHADHM C[C@@H](CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)CC(C)(C)C ZINC000820220162 599528168 /nfs/dbraw/zinc/52/81/68/599528168.db2.gz ODSUHSLSWIETLY-STQMWFEESA-N -1 3 329.448 3.506 20 0 EHADHM C[C@@H](CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)CC(C)(C)C ZINC000820220162 599528171 /nfs/dbraw/zinc/52/81/71/599528171.db2.gz ODSUHSLSWIETLY-STQMWFEESA-N -1 3 329.448 3.506 20 0 EHADHM c1csc(C(Nc2ccc(-c3nnn[n-]3)cn2)c2cccs2)c1 ZINC000738451578 599530132 /nfs/dbraw/zinc/53/01/32/599530132.db2.gz IMWFQMZLVLZXAN-UHFFFAOYSA-N -1 3 340.437 3.586 20 0 EHADHM c1csc(C(Nc2ccc(-c3nn[n-]n3)cn2)c2cccs2)c1 ZINC000738451578 599530134 /nfs/dbraw/zinc/53/01/34/599530134.db2.gz IMWFQMZLVLZXAN-UHFFFAOYSA-N -1 3 340.437 3.586 20 0 EHADHM Clc1ccc(N2CC[C@H](Cc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000822573743 599579550 /nfs/dbraw/zinc/57/95/50/599579550.db2.gz GVIPKIGOZRQMJE-CQSZACIVSA-N -1 3 339.830 3.589 20 0 EHADHM Clc1ccc(N2CC[C@H](Cc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000822573743 599579552 /nfs/dbraw/zinc/57/95/52/599579552.db2.gz GVIPKIGOZRQMJE-CQSZACIVSA-N -1 3 339.830 3.589 20 0 EHADHM Clc1cc(N[C@H]2C[C@@H]2Cc2ccccc2)ccc1-c1nnn[n-]1 ZINC000822567531 599591391 /nfs/dbraw/zinc/59/13/91/599591391.db2.gz CRVBBIOPLAZLQQ-LRDDRELGSA-N -1 3 325.803 3.563 20 0 EHADHM Clc1cc(N[C@H]2C[C@@H]2Cc2ccccc2)ccc1-c1nn[n-]n1 ZINC000822567531 599591393 /nfs/dbraw/zinc/59/13/93/599591393.db2.gz CRVBBIOPLAZLQQ-LRDDRELGSA-N -1 3 325.803 3.563 20 0 EHADHM Cc1oc(C(=O)[O-])cc1CN1CCC(Cc2ccc(F)cc2)CC1 ZINC000520240234 599717475 /nfs/dbraw/zinc/71/74/75/599717475.db2.gz PHDVRJPLKQPOCY-UHFFFAOYSA-N -1 3 331.387 3.880 20 0 EHADHM C[C@@H](c1ccccc1Br)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405363573 600302331 /nfs/dbraw/zinc/30/23/31/600302331.db2.gz RHWBVWLOUFOOFB-AAEUAGOBSA-N -1 3 338.245 3.697 20 0 EHADHM CC[C@](NCc1ccccc1OC(F)F)(C(=O)[O-])c1ccccc1 ZINC000736919566 600305916 /nfs/dbraw/zinc/30/59/16/600305916.db2.gz CIPXIWYIGDQTKF-GOSISDBHSA-N -1 3 335.350 3.768 20 0 EHADHM COc1ccc2cc(CN[C@H](C(=O)[O-])c3ccc(F)cc3)ccc2c1 ZINC000426814882 600418789 /nfs/dbraw/zinc/41/87/89/600418789.db2.gz BSBFVDUUNXYRKM-IBGZPJMESA-N -1 3 339.366 3.903 20 0 EHADHM CCCOc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2ccccc2)cc1OC ZINC000737032288 600424536 /nfs/dbraw/zinc/42/45/36/600424536.db2.gz YPRQONXAFAXYIT-IFXJQAMLSA-N -1 3 343.423 3.961 20 0 EHADHM CCC[C@](C)(NCc1csc(-c2ccc(OC)cc2)n1)C(=O)[O-] ZINC000736962516 600461547 /nfs/dbraw/zinc/46/15/47/600461547.db2.gz LIKWOWDTTFPEKF-KRWDZBQOSA-N -1 3 334.441 3.552 20 0 EHADHM CO[C@H](CN[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl)C(C)(C)C ZINC000831519415 600694920 /nfs/dbraw/zinc/69/49/20/600694920.db2.gz NXAHEWQNBBZRFD-CHWSQXEVSA-N -1 3 334.243 3.770 20 0 EHADHM Cc1ccc(CCN(Cc2cc(C(=O)[O-])co2)C[C@@H]2CCCO2)cc1 ZINC000572296028 600849182 /nfs/dbraw/zinc/84/91/82/600849182.db2.gz KNHZBAPUMTUZFQ-SFHVURJKSA-N -1 3 343.423 3.510 20 0 EHADHM Cc1ccc([C@@H]2CCCCN2CCOc2cccc(C(=O)[O-])c2)o1 ZINC000738582449 600968957 /nfs/dbraw/zinc/96/89/57/600968957.db2.gz JLEQKYAHFZWSSP-KRWDZBQOSA-N -1 3 329.396 3.892 20 0 EHADHM COCCN(C/C=C(/C)C(=O)[O-])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000831725464 601160219 /nfs/dbraw/zinc/16/02/19/601160219.db2.gz YBHZOUXAMQXKCP-FFXRNRBCSA-N -1 3 345.361 3.746 20 0 EHADHM O=C([O-])N1CCC[C@H](N[C@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000833279263 601223107 /nfs/dbraw/zinc/22/31/07/601223107.db2.gz YUEWATDKCFAFDZ-ZWKOTPCHSA-N -1 3 328.387 3.647 20 0 EHADHM O=C([O-])c1cc(CNCc2cccc(OCc3ccccc3)c2)c[nH]1 ZINC000833297782 601832097 /nfs/dbraw/zinc/83/20/97/601832097.db2.gz NNAKDSUPWOKVEP-UHFFFAOYSA-N -1 3 336.391 3.582 20 0 EHADHM O=C([O-])CC1(NCc2ncc(-c3ccccc3F)o2)CCCCC1 ZINC000833205852 601879229 /nfs/dbraw/zinc/87/92/29/601879229.db2.gz PKAHTCOTBPKJMA-UHFFFAOYSA-N -1 3 332.375 3.748 20 0 EHADHM C[C@H](c1cccc(Cl)c1)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000825629994 604104086 /nfs/dbraw/zinc/10/40/86/604104086.db2.gz LTSGJHXTDKQLQO-CYBMUJFWSA-N -1 3 340.851 3.540 20 0 EHADHM Cc1cc(CN2CC[C@@H]2c2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000832883665 604476964 /nfs/dbraw/zinc/47/69/64/604476964.db2.gz XSRVOHQKLQQWJD-GOSISDBHSA-N -1 3 325.408 3.714 20 0 EHADHM CCCOc1cc(CN2CCC(CCC(=O)[O-])CC2)ccc1OC ZINC000665342126 604641494 /nfs/dbraw/zinc/64/14/94/604641494.db2.gz QZASHZOUKWUIPK-UHFFFAOYSA-N -1 3 335.444 3.561 20 0 EHADHM O=C([O-])c1ccc(CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)o1 ZINC000833313056 604784073 /nfs/dbraw/zinc/78/40/73/604784073.db2.gz NDAHGCXIJCUOLD-LBPRGKRZSA-N -1 3 346.452 3.693 20 0 EHADHM O=C([O-])c1coc(CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000833340048 604784863 /nfs/dbraw/zinc/78/48/63/604784863.db2.gz RJXUAPQIGLOMNN-LBPRGKRZSA-N -1 3 346.452 3.693 20 0 EHADHM O=C([O-])c1cc(F)ccc1CN1CCC[C@@H](Nc2ccccc2)C1 ZINC000833298865 604800194 /nfs/dbraw/zinc/80/01/94/604800194.db2.gz FTJAGHNZYVPCLU-QGZVFWFLSA-N -1 3 328.387 3.600 20 0 EHADHM C[C@@]1(NCc2nnc(-c3cccc(Cl)c3)o2)CCCC[C@H]1C(=O)[O-] ZINC000833568952 604819306 /nfs/dbraw/zinc/81/93/06/604819306.db2.gz JCNHEANRCPAYGL-SUMWQHHRSA-N -1 3 349.818 3.513 20 0 EHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000322042869 604948811 /nfs/dbraw/zinc/94/88/11/604948811.db2.gz MRYUZQONWCSDAD-GFCCVEGCSA-N -1 3 340.807 3.571 20 0 EHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000322042871 604948966 /nfs/dbraw/zinc/94/89/66/604948966.db2.gz MRYUZQONWCSDAD-LBPRGKRZSA-N -1 3 340.807 3.571 20 0 EHADHM Cc1nn(C)cc1[C@H](C)NC[C@@H](NC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000830866461 604973054 /nfs/dbraw/zinc/97/30/54/604973054.db2.gz XFSRXXWCZMGFJL-SCLBCKFNSA-N -1 3 344.459 3.511 20 0 EHADHM O=C([O-])[C@@H](NCc1cccc(Oc2ccccc2)c1)c1cccnc1 ZINC000833169466 604993872 /nfs/dbraw/zinc/99/38/72/604993872.db2.gz JDRHTOHXYZDWLY-IBGZPJMESA-N -1 3 334.375 3.789 20 0 EHADHM CC(C)COc1ccc(C(C)(C)NCc2ccc(C(=O)[O-])[nH]2)cc1 ZINC000833487755 605114893 /nfs/dbraw/zinc/11/48/93/605114893.db2.gz HJVOXICZVJAAMD-UHFFFAOYSA-N -1 3 330.428 3.773 20 0 EHADHM Cc1nc2c(s1)[C@H](NCc1ccc([C@H](C)NC(=O)[O-])cc1)CCC2 ZINC000830780131 605119495 /nfs/dbraw/zinc/11/94/95/605119495.db2.gz OFTSQYGYPTXDLD-XHDPSFHLSA-N -1 3 345.468 3.947 20 0 EHADHM CN(Cc1cc(Cl)cc2c1OCC2)[C@@H](C(=O)[O-])c1ccccc1 ZINC000833694393 605298133 /nfs/dbraw/zinc/29/81/33/605298133.db2.gz JHAWDFDFVORMSG-MRXNPFEDSA-N -1 3 331.799 3.533 20 0 EHADHM CC1(C)C[C@@H](NCc2ccc(OCC(=O)[O-])cc2)c2ccccc2O1 ZINC000833556503 605306835 /nfs/dbraw/zinc/30/68/35/605306835.db2.gz BHLQMKNQSNDONI-QGZVFWFLSA-N -1 3 341.407 3.542 20 0 EHADHM C[C@H]1CN(c2nc3ccccc3cc2-c2nnn[n-]2)Cc2ccccc21 ZINC000820774342 606025691 /nfs/dbraw/zinc/02/56/91/606025691.db2.gz AZWZGZGIOIWOTH-ZDUSSCGKSA-N -1 3 342.406 3.539 20 0 EHADHM C[C@H]1CN(c2nc3ccccc3cc2-c2nn[n-]n2)Cc2ccccc21 ZINC000820774342 606025695 /nfs/dbraw/zinc/02/56/95/606025695.db2.gz AZWZGZGIOIWOTH-ZDUSSCGKSA-N -1 3 342.406 3.539 20 0 EHADHM c1oc2ccccc2c1CNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000823802473 606089037 /nfs/dbraw/zinc/08/90/37/606089037.db2.gz PRPYWPLIPOLPRN-UHFFFAOYSA-N -1 3 342.362 3.773 20 0 EHADHM c1oc2ccccc2c1CNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000823802473 606089039 /nfs/dbraw/zinc/08/90/39/606089039.db2.gz PRPYWPLIPOLPRN-UHFFFAOYSA-N -1 3 342.362 3.773 20 0 EHADHM CC(C)CCc1nc(CNc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000820081533 606155582 /nfs/dbraw/zinc/15/55/82/606155582.db2.gz KJAVUOHACBJKHO-UHFFFAOYSA-N -1 3 328.445 3.524 20 0 EHADHM CC(C)(C)c1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000819957955 606264169 /nfs/dbraw/zinc/26/41/69/606264169.db2.gz FNIFSNMFQQCXNK-UHFFFAOYSA-N -1 3 339.374 3.556 20 0 EHADHM CC(C)(C)c1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000819957955 606264171 /nfs/dbraw/zinc/26/41/71/606264171.db2.gz FNIFSNMFQQCXNK-UHFFFAOYSA-N -1 3 339.374 3.556 20 0 EHADHM COc1ccc2nc(C=Cc3cc(-c4nnn[n-]4)cs3)sc2c1 ZINC000821854608 606303786 /nfs/dbraw/zinc/30/37/86/606303786.db2.gz PCNCIEADZBXPQW-HYXAFXHYSA-N -1 3 341.421 3.717 20 0 EHADHM COc1ccc2nc(C=Cc3cc(-c4nn[n-]n4)cs3)sc2c1 ZINC000821854608 606303788 /nfs/dbraw/zinc/30/37/88/606303788.db2.gz PCNCIEADZBXPQW-HYXAFXHYSA-N -1 3 341.421 3.717 20 0 EHADHM C[C@@H](OC(=O)C1(c2ccccc2)CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820486710 606348626 /nfs/dbraw/zinc/34/86/26/606348626.db2.gz CKCZCSSIUDUENI-CQSZACIVSA-N -1 3 348.406 3.593 20 0 EHADHM C[C@@H](OC(=O)C1(c2ccccc2)CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820486710 606348627 /nfs/dbraw/zinc/34/86/27/606348627.db2.gz CKCZCSSIUDUENI-CQSZACIVSA-N -1 3 348.406 3.593 20 0 EHADHM FC(F)(F)Cc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822718157 606422432 /nfs/dbraw/zinc/42/24/32/606422432.db2.gz AOGKVCXSOAMCCA-UHFFFAOYSA-N -1 3 339.346 3.645 20 0 EHADHM C[C@H]1c2ccsc2CCN1c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000820828038 606443090 /nfs/dbraw/zinc/44/30/90/606443090.db2.gz ZNBKAEGRSGKXFS-VIFPVBQESA-N -1 3 331.832 3.705 20 0 EHADHM C[C@H]1c2ccsc2CCN1c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820828038 606443091 /nfs/dbraw/zinc/44/30/91/606443091.db2.gz ZNBKAEGRSGKXFS-VIFPVBQESA-N -1 3 331.832 3.705 20 0 EHADHM C[C@@H]1c2ccsc2CCN1c1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000820825694 606443097 /nfs/dbraw/zinc/44/30/97/606443097.db2.gz BHMDMLXRTGPTPT-LLVKDONJSA-N -1 3 348.435 3.600 20 0 EHADHM C[C@@H]1c2ccsc2CCN1c1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000820825694 606443098 /nfs/dbraw/zinc/44/30/98/606443098.db2.gz BHMDMLXRTGPTPT-LLVKDONJSA-N -1 3 348.435 3.600 20 0 EHADHM CC(C)c1ccc([C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000820192322 606481054 /nfs/dbraw/zinc/48/10/54/606481054.db2.gz JOQXKUZKMINISM-LLVKDONJSA-N -1 3 341.440 3.543 20 0 EHADHM CC(C)c1ccc([C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000820192322 606481056 /nfs/dbraw/zinc/48/10/56/606481056.db2.gz JOQXKUZKMINISM-LLVKDONJSA-N -1 3 341.440 3.543 20 0 EHADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1cccc2ccccc21 ZINC000820392693 606481141 /nfs/dbraw/zinc/48/11/41/606481141.db2.gz YXGRVBVJIJZHOH-LLVKDONJSA-N -1 3 349.419 3.572 20 0 EHADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1cccc2ccccc21 ZINC000820392693 606481143 /nfs/dbraw/zinc/48/11/43/606481143.db2.gz YXGRVBVJIJZHOH-LLVKDONJSA-N -1 3 349.419 3.572 20 0 EHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CC1CCCCCC1 ZINC000821407521 606627513 /nfs/dbraw/zinc/62/75/13/606627513.db2.gz SDIDUJUQZNCJBH-UHFFFAOYSA-N -1 3 343.431 3.564 20 0 EHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CC1CCCCCC1 ZINC000821407521 606627514 /nfs/dbraw/zinc/62/75/14/606627514.db2.gz SDIDUJUQZNCJBH-UHFFFAOYSA-N -1 3 343.431 3.564 20 0 EHADHM CC(C)c1nc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)cs1 ZINC000820202224 606656337 /nfs/dbraw/zinc/65/63/37/606656337.db2.gz FQVCAAFWOXORTD-UHFFFAOYSA-N -1 3 334.836 3.712 20 0 EHADHM CC(C)c1nc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)cs1 ZINC000820202224 606656338 /nfs/dbraw/zinc/65/63/38/606656338.db2.gz FQVCAAFWOXORTD-UHFFFAOYSA-N -1 3 334.836 3.712 20 0 EHADHM CC(C)c1cccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000820197742 606661882 /nfs/dbraw/zinc/66/18/82/606661882.db2.gz NHKMHZNHNWNUQS-UHFFFAOYSA-N -1 3 343.337 3.521 20 0 EHADHM CC(C)c1cccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000820197742 606661883 /nfs/dbraw/zinc/66/18/83/606661883.db2.gz NHKMHZNHNWNUQS-UHFFFAOYSA-N -1 3 343.337 3.521 20 0 EHADHM Fc1ccc2oc(C(Cl)=Cc3cccc(-c4nnn[n-]4)c3)nc2c1 ZINC000822786474 606764057 /nfs/dbraw/zinc/76/40/57/606764057.db2.gz KVTWVLPNEYYQRC-GHXNOFRVSA-N -1 3 341.733 3.884 20 0 EHADHM Fc1ccc2oc(C(Cl)=Cc3cccc(-c4nn[n-]n4)c3)nc2c1 ZINC000822786474 606764059 /nfs/dbraw/zinc/76/40/59/606764059.db2.gz KVTWVLPNEYYQRC-GHXNOFRVSA-N -1 3 341.733 3.884 20 0 EHADHM C[C@H](Nc1ccccc1OCC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820461109 606776508 /nfs/dbraw/zinc/77/65/08/606776508.db2.gz FIPNIYURIILPKE-NSHDSACASA-N -1 3 345.353 3.684 20 0 EHADHM C[C@H](Nc1ccccc1OCC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461109 606776510 /nfs/dbraw/zinc/77/65/10/606776510.db2.gz FIPNIYURIILPKE-NSHDSACASA-N -1 3 345.353 3.684 20 0 EHADHM C[C@@H](OC(=O)c1cccc(Cl)c1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820512088 606920376 /nfs/dbraw/zinc/92/03/76/606920376.db2.gz GPAZYAUEIVIFSG-SECBINFHSA-N -1 3 346.749 3.577 20 0 EHADHM C[C@@H](OC(=O)c1cccc(Cl)c1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820512088 606920378 /nfs/dbraw/zinc/92/03/78/606920378.db2.gz GPAZYAUEIVIFSG-SECBINFHSA-N -1 3 346.749 3.577 20 0 EHADHM Cc1ccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)cc1OC(F)F ZINC000822259286 606929843 /nfs/dbraw/zinc/92/98/43/606929843.db2.gz SJPHPNQWJNDDHX-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM Cc1ccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)cc1OC(F)F ZINC000822259286 606929844 /nfs/dbraw/zinc/92/98/44/606929844.db2.gz SJPHPNQWJNDDHX-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM Cc1cc(Cl)ccc1C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000822202130 606990752 /nfs/dbraw/zinc/99/07/52/606990752.db2.gz MNFYKCKVZHUJTD-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1cc(Cl)ccc1C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000822202130 606990753 /nfs/dbraw/zinc/99/07/53/606990753.db2.gz MNFYKCKVZHUJTD-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM FC(F)Oc1ccccc1CSc1cccc(-c2nnn[n-]2)c1 ZINC000822737453 607010377 /nfs/dbraw/zinc/01/03/77/607010377.db2.gz WBXBLYSEHVDIKE-UHFFFAOYSA-N -1 3 334.351 3.760 20 0 EHADHM FC(F)Oc1ccccc1CSc1cccc(-c2nn[n-]n2)c1 ZINC000822737453 607010379 /nfs/dbraw/zinc/01/03/79/607010379.db2.gz WBXBLYSEHVDIKE-UHFFFAOYSA-N -1 3 334.351 3.760 20 0 EHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)C1=CCCC1 ZINC000823387695 607157801 /nfs/dbraw/zinc/15/78/01/607157801.db2.gz UTTIQMXWGBAHBS-UHFFFAOYSA-N -1 3 343.456 3.636 20 0 EHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)C1=CCCC1 ZINC000823387695 607157803 /nfs/dbraw/zinc/15/78/03/607157803.db2.gz UTTIQMXWGBAHBS-UHFFFAOYSA-N -1 3 343.456 3.636 20 0 EHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC[C@H]1CCC1CCCC1 ZINC000823472670 607163702 /nfs/dbraw/zinc/16/37/02/607163702.db2.gz UUQFMDCGSQGJAS-AWEZNQCLSA-N -1 3 345.472 3.503 20 0 EHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC[C@H]1CCC1CCCC1 ZINC000823472670 607163703 /nfs/dbraw/zinc/16/37/03/607163703.db2.gz UUQFMDCGSQGJAS-AWEZNQCLSA-N -1 3 345.472 3.503 20 0 EHADHM O=C(c1sccc1-c1nnn[n-]1)N1CCC[C@@H]1CCC1CCCC1 ZINC000823497998 607225467 /nfs/dbraw/zinc/22/54/67/607225467.db2.gz DDQFGTPGFQCOCF-CYBMUJFWSA-N -1 3 345.472 3.503 20 0 EHADHM O=C(c1sccc1-c1nn[n-]n1)N1CCC[C@@H]1CCC1CCCC1 ZINC000823497998 607225468 /nfs/dbraw/zinc/22/54/68/607225468.db2.gz DDQFGTPGFQCOCF-CYBMUJFWSA-N -1 3 345.472 3.503 20 0 EHADHM CC1(C)CCC(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)CC1 ZINC000820589133 607235361 /nfs/dbraw/zinc/23/53/61/607235361.db2.gz APDYHGOHOJQROH-UHFFFAOYSA-N -1 3 345.472 3.572 20 0 EHADHM CC1(C)CCC(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)CC1 ZINC000820589133 607235362 /nfs/dbraw/zinc/23/53/62/607235362.db2.gz APDYHGOHOJQROH-UHFFFAOYSA-N -1 3 345.472 3.572 20 0 EHADHM CC[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000820843332 607240312 /nfs/dbraw/zinc/24/03/12/607240312.db2.gz WNQPRCWMKQYYLN-CYBMUJFWSA-N -1 3 341.802 3.652 20 0 EHADHM CC[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000820843332 607240313 /nfs/dbraw/zinc/24/03/13/607240313.db2.gz WNQPRCWMKQYYLN-CYBMUJFWSA-N -1 3 341.802 3.652 20 0 EHADHM CC(C)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000820187609 607241973 /nfs/dbraw/zinc/24/19/73/607241973.db2.gz JODWDDQWUYDCOQ-UHFFFAOYSA-N -1 3 341.802 3.896 20 0 EHADHM CC(C)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000820187609 607241974 /nfs/dbraw/zinc/24/19/74/607241974.db2.gz JODWDDQWUYDCOQ-UHFFFAOYSA-N -1 3 341.802 3.896 20 0 EHADHM CCc1cccc(NC(=S)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000821492543 607252043 /nfs/dbraw/zinc/25/20/43/607252043.db2.gz QQZLDZSASZVKAT-UHFFFAOYSA-N -1 3 338.440 3.546 20 0 EHADHM CCc1cccc(NC(=S)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000821492543 607252044 /nfs/dbraw/zinc/25/20/44/607252044.db2.gz QQZLDZSASZVKAT-UHFFFAOYSA-N -1 3 338.440 3.546 20 0 EHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000826247129 607775317 /nfs/dbraw/zinc/77/53/17/607775317.db2.gz URGMYEPOVPYHHV-KZULUSFZSA-N -1 3 347.422 3.544 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000826247129 607775318 /nfs/dbraw/zinc/77/53/18/607775318.db2.gz URGMYEPOVPYHHV-KZULUSFZSA-N -1 3 347.422 3.544 20 0 EHADHM CN(C(=O)CC1CCC(C)(C)CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000825812502 607785611 /nfs/dbraw/zinc/78/56/11/607785611.db2.gz LHIUIVXRTBQAJB-UHFFFAOYSA-N -1 3 345.422 3.575 20 0 EHADHM CN(C(=O)CC1CCC(C)(C)CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000825812502 607785612 /nfs/dbraw/zinc/78/56/12/607785612.db2.gz LHIUIVXRTBQAJB-UHFFFAOYSA-N -1 3 345.422 3.575 20 0 EHADHM Cc1ccc([C@H](O)CSc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826284353 607843163 /nfs/dbraw/zinc/84/31/63/607843163.db2.gz RETFDELRVZGWEF-CQSZACIVSA-N -1 3 346.843 3.654 20 0 EHADHM Cc1ccc([C@H](O)CSc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826284353 607843164 /nfs/dbraw/zinc/84/31/64/607843164.db2.gz RETFDELRVZGWEF-CQSZACIVSA-N -1 3 346.843 3.654 20 0 EHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1F ZINC000826421077 607845896 /nfs/dbraw/zinc/84/58/96/607845896.db2.gz QQLGASUOHIYCSS-UHFFFAOYSA-N -1 3 348.790 3.634 20 0 EHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1F ZINC000826421077 607845897 /nfs/dbraw/zinc/84/58/97/607845897.db2.gz QQLGASUOHIYCSS-UHFFFAOYSA-N -1 3 348.790 3.634 20 0 EHADHM Cc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1Cl ZINC000826296293 607861482 /nfs/dbraw/zinc/86/14/82/607861482.db2.gz QJWGNMJHXNBVQY-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1Cl ZINC000826296293 607861483 /nfs/dbraw/zinc/86/14/83/607861483.db2.gz QJWGNMJHXNBVQY-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM CCN(C(=O)c1ccc(C)s1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825379535 607877859 /nfs/dbraw/zinc/87/78/59/607877859.db2.gz HQPXGTFPOLOWJN-UHFFFAOYSA-N -1 3 347.831 3.557 20 0 EHADHM CCN(C(=O)c1ccc(C)s1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825379535 607877860 /nfs/dbraw/zinc/87/78/60/607877860.db2.gz HQPXGTFPOLOWJN-UHFFFAOYSA-N -1 3 347.831 3.557 20 0 EHADHM COc1cc(C)nc(CSc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826178512 607932705 /nfs/dbraw/zinc/93/27/05/607932705.db2.gz ASZHXAWCYDLJRL-UHFFFAOYSA-N -1 3 347.831 3.524 20 0 EHADHM COc1cc(C)nc(CSc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826178512 607932706 /nfs/dbraw/zinc/93/27/06/607932706.db2.gz ASZHXAWCYDLJRL-UHFFFAOYSA-N -1 3 347.831 3.524 20 0 EHADHM CC[C@H](C)c1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000825074040 607948645 /nfs/dbraw/zinc/94/86/45/607948645.db2.gz CZNVESFBLVMAEJ-ZDUSSCGKSA-N -1 3 347.422 3.583 20 0 EHADHM CC[C@H](C)c1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000825074040 607948646 /nfs/dbraw/zinc/94/86/46/607948646.db2.gz CZNVESFBLVMAEJ-ZDUSSCGKSA-N -1 3 347.422 3.583 20 0 EHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(F)cc1Cl ZINC000825782545 607975263 /nfs/dbraw/zinc/97/52/63/607975263.db2.gz GQIZYSPGBWDENG-UHFFFAOYSA-N -1 3 342.765 3.696 20 0 EHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(F)cc1Cl ZINC000825782545 607975264 /nfs/dbraw/zinc/97/52/64/607975264.db2.gz GQIZYSPGBWDENG-UHFFFAOYSA-N -1 3 342.765 3.696 20 0 EHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1coc2ccccc12 ZINC000825782361 607975379 /nfs/dbraw/zinc/97/53/79/607975379.db2.gz FFADRXOPVBZXGO-UHFFFAOYSA-N -1 3 330.351 3.650 20 0 EHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1coc2ccccc12 ZINC000825782361 607975380 /nfs/dbraw/zinc/97/53/80/607975380.db2.gz FFADRXOPVBZXGO-UHFFFAOYSA-N -1 3 330.351 3.650 20 0 EHADHM Clc1cc(-c2nnn[n-]2)ccc1SCCCc1ccncc1 ZINC000826350748 608144418 /nfs/dbraw/zinc/14/44/18/608144418.db2.gz JJQWBULHYLYUCW-UHFFFAOYSA-N -1 3 331.832 3.640 20 0 EHADHM Clc1cc(-c2nn[n-]n2)ccc1SCCCc1ccncc1 ZINC000826350748 608144419 /nfs/dbraw/zinc/14/44/19/608144419.db2.gz JJQWBULHYLYUCW-UHFFFAOYSA-N -1 3 331.832 3.640 20 0 EHADHM CCC[C@H](C(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000825224925 608152454 /nfs/dbraw/zinc/15/24/54/608152454.db2.gz HBTGSYYUEQEMMU-PBHICJAKSA-N -1 3 343.475 3.849 20 0 EHADHM CCC[C@H](C(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000825224925 608152455 /nfs/dbraw/zinc/15/24/55/608152455.db2.gz HBTGSYYUEQEMMU-PBHICJAKSA-N -1 3 343.475 3.849 20 0 EHADHM COc1ccccc1[C@H](C)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826218502 608222045 /nfs/dbraw/zinc/22/20/45/608222045.db2.gz DUPDGFQADTZYKP-LBPRGKRZSA-N -1 3 346.394 3.597 20 0 EHADHM COc1ccccc1[C@H](C)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826218502 608222047 /nfs/dbraw/zinc/22/20/47/608222047.db2.gz DUPDGFQADTZYKP-LBPRGKRZSA-N -1 3 346.394 3.597 20 0 EHADHM C[C@@H](OC(=O)[C@@H](c1ccccc1)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824713076 608246228 /nfs/dbraw/zinc/24/62/28/608246228.db2.gz GJVKPDXNEAZBBF-ACJLOTCBSA-N -1 3 348.406 3.665 20 0 EHADHM C[C@@H](OC(=O)[C@@H](c1ccccc1)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824713076 608246230 /nfs/dbraw/zinc/24/62/30/608246230.db2.gz GJVKPDXNEAZBBF-ACJLOTCBSA-N -1 3 348.406 3.665 20 0 EHADHM C[C@@H](NC(=O)C(C)(C)C1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824470439 608268644 /nfs/dbraw/zinc/26/86/44/608268644.db2.gz IEERQGXBXASALX-CYBMUJFWSA-N -1 3 341.459 3.650 20 0 EHADHM C[C@@H](NC(=O)C(C)(C)C1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824470439 608268646 /nfs/dbraw/zinc/26/86/46/608268646.db2.gz IEERQGXBXASALX-CYBMUJFWSA-N -1 3 341.459 3.650 20 0 EHADHM CCN(C(=O)C[C@@H]1CC[C@H](C)C1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367297 608345043 /nfs/dbraw/zinc/34/50/43/608345043.db2.gz MYRZFXQXJDLUEQ-NWDGAFQWSA-N -1 3 347.850 3.699 20 0 EHADHM CCN(C(=O)C[C@@H]1CC[C@H](C)C1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367297 608345045 /nfs/dbraw/zinc/34/50/45/608345045.db2.gz MYRZFXQXJDLUEQ-NWDGAFQWSA-N -1 3 347.850 3.699 20 0 EHADHM CSc1ccc(C)c(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826230015 608590917 /nfs/dbraw/zinc/59/09/17/608590917.db2.gz AEGZWOYPEQVRLD-UHFFFAOYSA-N -1 3 340.412 3.541 20 0 EHADHM CSc1ccc(C)c(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826230015 608590919 /nfs/dbraw/zinc/59/09/19/608590919.db2.gz AEGZWOYPEQVRLD-UHFFFAOYSA-N -1 3 340.412 3.541 20 0 EHADHM Fc1cc(-c2ccncc2)ccc1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000826371904 608869420 /nfs/dbraw/zinc/86/94/20/608869420.db2.gz YLXJSDWIHQRZIK-UHFFFAOYSA-N -1 3 346.369 3.680 20 0 EHADHM c1cncc(-c2cccc(CNc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000826525425 608869961 /nfs/dbraw/zinc/86/99/61/608869961.db2.gz KDFDVIBSJUFSTC-UHFFFAOYSA-N -1 3 328.379 3.541 20 0 EHADHM Clc1cc2cccnc2c(CNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826350595 608871600 /nfs/dbraw/zinc/87/16/00/608871600.db2.gz CXWKORXTNYELFC-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM Clc1cc2cccnc2c(CNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826350595 608871603 /nfs/dbraw/zinc/87/16/03/608871603.db2.gz CXWKORXTNYELFC-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM Cc1nc2ccc(N[C@H](C)c3cccc(-c4nnn[n-]4)c3)cc2s1 ZINC000826329031 609163413 /nfs/dbraw/zinc/16/34/13/609163413.db2.gz NRAMKGNWTQEDMW-SNVBAGLBSA-N -1 3 336.424 3.958 20 0 EHADHM Cc1nc2ccc(N[C@H](C)c3cccc(-c4nn[n-]n4)c3)cc2s1 ZINC000826329031 609163414 /nfs/dbraw/zinc/16/34/14/609163414.db2.gz NRAMKGNWTQEDMW-SNVBAGLBSA-N -1 3 336.424 3.958 20 0 EHADHM CC(C)C[C@H]1C[C@@H](Nc2ccc(Cl)cc2-c2nnn[n-]2)CCO1 ZINC000824244379 609171247 /nfs/dbraw/zinc/17/12/47/609171247.db2.gz QZGMVHZPMXPQGF-STQMWFEESA-N -1 3 335.839 3.526 20 0 EHADHM CC(C)C[C@H]1C[C@@H](Nc2ccc(Cl)cc2-c2nn[n-]n2)CCO1 ZINC000824244379 609171249 /nfs/dbraw/zinc/17/12/49/609171249.db2.gz QZGMVHZPMXPQGF-STQMWFEESA-N -1 3 335.839 3.526 20 0 EHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1ccc(Cl)s1 ZINC000825480688 609179068 /nfs/dbraw/zinc/17/90/68/609179068.db2.gz GLJSWBAWNKHADK-UHFFFAOYSA-N -1 3 334.836 3.626 20 0 EHADHM CCOc1ccccc1N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000825653821 609237101 /nfs/dbraw/zinc/23/71/01/609237101.db2.gz KLWYZKIJHBDGND-NSHDSACASA-N -1 3 327.363 3.578 20 0 EHADHM CCOc1ccccc1N[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000825653821 609237103 /nfs/dbraw/zinc/23/71/03/609237103.db2.gz KLWYZKIJHBDGND-NSHDSACASA-N -1 3 327.363 3.578 20 0 EHADHM C[C@H](Nc1cc(F)ccc1OC(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000824649511 609247118 /nfs/dbraw/zinc/24/71/18/609247118.db2.gz NAVLVJUOEDZJRR-VIFPVBQESA-N -1 3 349.316 3.780 20 0 EHADHM C[C@H](Nc1cc(F)ccc1OC(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824649511 609247120 /nfs/dbraw/zinc/24/71/20/609247120.db2.gz NAVLVJUOEDZJRR-VIFPVBQESA-N -1 3 349.316 3.780 20 0 EHADHM Fc1ccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1F ZINC000826375440 609253679 /nfs/dbraw/zinc/25/36/79/609253679.db2.gz NUHRZPAMCATKSQ-INIZCTEOSA-N -1 3 327.338 3.634 20 0 EHADHM Fc1ccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1F ZINC000826375440 609253680 /nfs/dbraw/zinc/25/36/80/609253680.db2.gz NUHRZPAMCATKSQ-INIZCTEOSA-N -1 3 327.338 3.634 20 0 EHADHM C[C@@H](Nc1ccccc1OC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824663375 609272283 /nfs/dbraw/zinc/27/22/83/609272283.db2.gz YPMLRMFZSTUOSQ-SNVBAGLBSA-N -1 3 331.326 3.641 20 0 EHADHM C[C@@H](Nc1ccccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824663375 609272285 /nfs/dbraw/zinc/27/22/85/609272285.db2.gz YPMLRMFZSTUOSQ-SNVBAGLBSA-N -1 3 331.326 3.641 20 0 EHADHM C[C@@H](Nc1ccc2c(c1)CCCO2)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824658289 609277440 /nfs/dbraw/zinc/27/74/40/609277440.db2.gz VMMGCVSIVQAEDD-LLVKDONJSA-N -1 3 339.374 3.504 20 0 EHADHM C[C@@H](Nc1ccc2c(c1)CCCO2)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824658289 609277442 /nfs/dbraw/zinc/27/74/42/609277442.db2.gz VMMGCVSIVQAEDD-LLVKDONJSA-N -1 3 339.374 3.504 20 0 EHADHM CN(CCC1CCCCC1)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825918728 609290583 /nfs/dbraw/zinc/29/05/83/609290583.db2.gz KKLYYPHOWDLTMT-UHFFFAOYSA-N -1 3 347.850 3.563 20 0 EHADHM CN(CCC1CCCCC1)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825918728 609290584 /nfs/dbraw/zinc/29/05/84/609290584.db2.gz KKLYYPHOWDLTMT-UHFFFAOYSA-N -1 3 347.850 3.563 20 0 EHADHM COCC[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(C)o1 ZINC000826155239 609322827 /nfs/dbraw/zinc/32/28/27/609322827.db2.gz KKOPBGNVHHWJFJ-CQSZACIVSA-N -1 3 347.806 3.611 20 0 EHADHM COCC[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(C)o1 ZINC000826155239 609322829 /nfs/dbraw/zinc/32/28/29/609322829.db2.gz KKOPBGNVHHWJFJ-CQSZACIVSA-N -1 3 347.806 3.611 20 0 EHADHM Cc1nn(-c2ccccc2)cc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826332649 609351449 /nfs/dbraw/zinc/35/14/49/609351449.db2.gz BBIWUPKDAARFBM-ZDUSSCGKSA-N -1 3 345.410 3.534 20 0 EHADHM Cc1nn(-c2ccccc2)cc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826332649 609351450 /nfs/dbraw/zinc/35/14/50/609351450.db2.gz BBIWUPKDAARFBM-ZDUSSCGKSA-N -1 3 345.410 3.534 20 0 EHADHM FC(F)Sc1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826370521 609369414 /nfs/dbraw/zinc/36/94/14/609369414.db2.gz WWOONEAHYBMMOI-KTAJNNJTSA-N -1 3 331.351 3.747 20 0 EHADHM FC(F)Sc1ccc(C=Cc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826370521 609369416 /nfs/dbraw/zinc/36/94/16/609369416.db2.gz WWOONEAHYBMMOI-KTAJNNJTSA-N -1 3 331.351 3.747 20 0 EHADHM c1sc2ccccc2c1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826523447 609440735 /nfs/dbraw/zinc/44/07/35/609440735.db2.gz NFFXZTQGWDSHMR-UHFFFAOYSA-N -1 3 337.408 3.572 20 0 EHADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(SC)cc1 ZINC000825632124 609477439 /nfs/dbraw/zinc/47/74/39/609477439.db2.gz LXBAJELHCNTHJO-UHFFFAOYSA-N -1 3 341.440 3.599 20 0 EHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(SC)cc1 ZINC000825632124 609477441 /nfs/dbraw/zinc/47/74/41/609477441.db2.gz LXBAJELHCNTHJO-UHFFFAOYSA-N -1 3 341.440 3.599 20 0 EHADHM Cc1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)nn1[C@H](C)C1CC1 ZINC000826270672 609508509 /nfs/dbraw/zinc/50/85/09/609508509.db2.gz KGRSEEKMSCMWRF-CHWSQXEVSA-N -1 3 337.431 3.516 20 0 EHADHM Cc1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)nn1[C@H](C)C1CC1 ZINC000826270672 609508511 /nfs/dbraw/zinc/50/85/11/609508511.db2.gz KGRSEEKMSCMWRF-CHWSQXEVSA-N -1 3 337.431 3.516 20 0 EHADHM Cc1c(Cl)cnc(N2CCC[C@@H]2c2cccs2)c1-c1nnn[n-]1 ZINC000826237565 609522912 /nfs/dbraw/zinc/52/29/12/609522912.db2.gz DMGKPOCNMZBHMW-LLVKDONJSA-N -1 3 346.847 3.627 20 0 EHADHM Cc1c(Cl)cnc(N2CCC[C@@H]2c2cccs2)c1-c1nn[n-]n1 ZINC000826237565 609522914 /nfs/dbraw/zinc/52/29/14/609522914.db2.gz DMGKPOCNMZBHMW-LLVKDONJSA-N -1 3 346.847 3.627 20 0 EHADHM Cc1c(Cl)cnc(NCc2cc3ccccc3o2)c1-c1nnn[n-]1 ZINC000826240213 609535051 /nfs/dbraw/zinc/53/50/51/609535051.db2.gz IUTXDSSDUUDTFJ-UHFFFAOYSA-N -1 3 340.774 3.582 20 0 EHADHM Cc1c(Cl)cnc(NCc2cc3ccccc3o2)c1-c1nn[n-]n1 ZINC000826240213 609535053 /nfs/dbraw/zinc/53/50/53/609535053.db2.gz IUTXDSSDUUDTFJ-UHFFFAOYSA-N -1 3 340.774 3.582 20 0 EHADHM CC[C@H](C)[C@@H](C)C(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825050969 609599727 /nfs/dbraw/zinc/59/97/27/609599727.db2.gz MITFHVWIOHKBSA-WDEREUQCSA-N -1 3 335.839 3.555 20 0 EHADHM CC[C@H](C)[C@@H](C)C(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825050969 609599729 /nfs/dbraw/zinc/59/97/29/609599729.db2.gz MITFHVWIOHKBSA-WDEREUQCSA-N -1 3 335.839 3.555 20 0 EHADHM c1coc(CN(Cc2ccc(-c3nnn[n-]3)cc2)c2ccccc2)c1 ZINC000738434578 945266472 /nfs/dbraw/zinc/26/64/72/945266472.db2.gz DXNRNYSVUHDIML-UHFFFAOYSA-N -1 3 331.379 3.667 20 0 EHADHM c1coc(CN(Cc2ccc(-c3nn[n-]n3)cc2)c2ccccc2)c1 ZINC000738434578 945266481 /nfs/dbraw/zinc/26/64/81/945266481.db2.gz DXNRNYSVUHDIML-UHFFFAOYSA-N -1 3 331.379 3.667 20 0 EHADHM c1coc(CN(Cc2cccc(-c3nnn[n-]3)c2)c2ccccc2)c1 ZINC000738434252 945266894 /nfs/dbraw/zinc/26/68/94/945266894.db2.gz BCIWVIRMARXUFQ-UHFFFAOYSA-N -1 3 331.379 3.667 20 0 EHADHM c1coc(CN(Cc2cccc(-c3nn[n-]n3)c2)c2ccccc2)c1 ZINC000738434252 945266903 /nfs/dbraw/zinc/26/69/03/945266903.db2.gz BCIWVIRMARXUFQ-UHFFFAOYSA-N -1 3 331.379 3.667 20 0 EHADHM CC(C)CCCCCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000820073418 945343712 /nfs/dbraw/zinc/34/37/12/945343712.db2.gz UOCQIEQQWUCOSR-UHFFFAOYSA-N -1 3 333.411 3.575 20 0 EHADHM CC(C)CCCCCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000820073418 945343721 /nfs/dbraw/zinc/34/37/21/945343721.db2.gz UOCQIEQQWUCOSR-UHFFFAOYSA-N -1 3 333.411 3.575 20 0 EHADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc2ccccc2c1 ZINC000084579741 944607342 /nfs/dbraw/zinc/60/73/42/944607342.db2.gz JZNFVJUBWQCYKQ-ZDUSSCGKSA-N -1 3 343.390 3.762 20 0 EHADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc2ccccc2c1 ZINC000084579741 944607347 /nfs/dbraw/zinc/60/73/47/944607347.db2.gz JZNFVJUBWQCYKQ-ZDUSSCGKSA-N -1 3 343.390 3.762 20 0 EHADHM CCC(=CC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000736304904 944793386 /nfs/dbraw/zinc/79/33/86/944793386.db2.gz RXWZIHPXCUKOLA-BENRWUELSA-N -1 3 339.424 3.669 20 0 EHADHM CCC(=CC(=O)Nc1sccc1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000736304904 944793396 /nfs/dbraw/zinc/79/33/96/944793396.db2.gz RXWZIHPXCUKOLA-BENRWUELSA-N -1 3 339.424 3.669 20 0 EHADHM CCCOc1ccc([C@@H](C)Nc2nccc(C)c2-c2nnn[n-]2)cc1 ZINC000825338840 947158960 /nfs/dbraw/zinc/15/89/60/947158960.db2.gz ITLFFKKEKWHTIG-CYBMUJFWSA-N -1 3 338.415 3.532 20 0 EHADHM CCCOc1ccc([C@@H](C)Nc2nccc(C)c2-c2nn[n-]n2)cc1 ZINC000825338840 947158964 /nfs/dbraw/zinc/15/89/64/947158964.db2.gz ITLFFKKEKWHTIG-CYBMUJFWSA-N -1 3 338.415 3.532 20 0 EHADHM COc1cc(-c2nnn[n-]2)ccc1CS[C@H](C)c1cccs1 ZINC000826173896 947538420 /nfs/dbraw/zinc/53/84/20/947538420.db2.gz ZUYWUFLVMKWXJS-SNVBAGLBSA-N -1 3 332.454 3.931 20 0 EHADHM COc1cc(-c2nn[n-]n2)ccc1CS[C@H](C)c1cccs1 ZINC000826173896 947538429 /nfs/dbraw/zinc/53/84/29/947538429.db2.gz ZUYWUFLVMKWXJS-SNVBAGLBSA-N -1 3 332.454 3.931 20 0 EHADHM CC(=CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)c1cccs1 ZINC001573363177 947708467 /nfs/dbraw/zinc/70/84/67/947708467.db2.gz MHVOGNQHXCGEOP-BQYQJAHWSA-N -1 3 345.453 3.649 20 0 EHADHM CC(=CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)c1cccs1 ZINC001573363177 947708485 /nfs/dbraw/zinc/70/84/85/947708485.db2.gz MHVOGNQHXCGEOP-BQYQJAHWSA-N -1 3 345.453 3.649 20 0 EHADHM CC(=Cc1ccc(Cl)cc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001573363551 947712633 /nfs/dbraw/zinc/71/26/33/947712633.db2.gz DEVHVJOVZBEULE-KHPPLWFESA-N -1 3 340.770 3.529 20 0 EHADHM CC(=Cc1ccc(Cl)cc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001573363551 947712641 /nfs/dbraw/zinc/71/26/41/947712641.db2.gz DEVHVJOVZBEULE-KHPPLWFESA-N -1 3 340.770 3.529 20 0 EHADHM Fc1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)cc1C(F)(F)F ZINC000826374141 948160350 /nfs/dbraw/zinc/16/03/50/948160350.db2.gz MXAWPRFCRJVVBY-RJRFIUFISA-N -1 3 335.264 3.590 20 0 EHADHM Fc1ccc(C=Cc2ccc(-c3nn[n-]n3)cn2)cc1C(F)(F)F ZINC000826374141 948160357 /nfs/dbraw/zinc/16/03/57/948160357.db2.gz MXAWPRFCRJVVBY-RJRFIUFISA-N -1 3 335.264 3.590 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001575860656 949311096 /nfs/dbraw/zinc/31/10/96/949311096.db2.gz KQUCIKSHHDCXQJ-SFHVURJKSA-N -1 3 325.416 3.640 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001575860656 949311119 /nfs/dbraw/zinc/31/11/19/949311119.db2.gz KQUCIKSHHDCXQJ-SFHVURJKSA-N -1 3 325.416 3.640 20 0 EHADHM CC1=C(C)C[C@@](C)(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001575861650 949333308 /nfs/dbraw/zinc/33/33/08/949333308.db2.gz USGAPPWFVRZTMY-KRWDZBQOSA-N -1 3 345.834 3.985 20 0 EHADHM CC1=C(C)C[C@@](C)(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001575861650 949333331 /nfs/dbraw/zinc/33/33/31/949333331.db2.gz USGAPPWFVRZTMY-KRWDZBQOSA-N -1 3 345.834 3.985 20 0 EHADHM Cc1ccc(CN2CCCC[C@@H]2CC(=O)[O-])c(Br)c1 ZINC000164332636 949412720 /nfs/dbraw/zinc/41/27/20/949412720.db2.gz XCLPWSVHWKWORJ-CYBMUJFWSA-N -1 3 326.234 3.587 20 0 EHADHM C[C@H]1CCCC[C@H]1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC001576169857 949695077 /nfs/dbraw/zinc/69/50/77/949695077.db2.gz JYQHYFPCVTTYDV-WDEREUQCSA-N -1 3 345.472 3.572 20 0 EHADHM C[C@H]1CCCC[C@H]1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC001576169857 949695099 /nfs/dbraw/zinc/69/50/99/949695099.db2.gz JYQHYFPCVTTYDV-WDEREUQCSA-N -1 3 345.472 3.572 20 0 EHADHM CC(C)C[C@@H](C)CC(=O)N(c1ccc(-c2nnn[n-]2)cc1)C1CCC1 ZINC001574132999 949705502 /nfs/dbraw/zinc/70/55/02/949705502.db2.gz BVOIVORVWQKHOI-CQSZACIVSA-N -1 3 341.459 3.825 20 0 EHADHM CC(C)C[C@@H](C)CC(=O)N(c1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC001574132999 949705516 /nfs/dbraw/zinc/70/55/16/949705516.db2.gz BVOIVORVWQKHOI-CQSZACIVSA-N -1 3 341.459 3.825 20 0 EHADHM C[C@H]1CCN(c2cc(C(F)(F)F)c(F)cc2-c2nnn[n-]2)C[C@H]1C ZINC001576213605 950637812 /nfs/dbraw/zinc/63/78/12/950637812.db2.gz DHRPMZOCUZPQTH-DTWKUNHWSA-N -1 3 343.328 3.507 20 0 EHADHM C[C@H]1CCN(c2cc(C(F)(F)F)c(F)cc2-c2nn[n-]n2)C[C@H]1C ZINC001576213605 950637820 /nfs/dbraw/zinc/63/78/20/950637820.db2.gz DHRPMZOCUZPQTH-DTWKUNHWSA-N -1 3 343.328 3.507 20 0 EHADHM C[C@H](CC(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)CC(C)(C)C ZINC001574520523 950735292 /nfs/dbraw/zinc/73/52/92/950735292.db2.gz UBJOWTLJHQXVAZ-SNVBAGLBSA-N -1 3 335.839 3.921 20 0 EHADHM C[C@H](CC(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)CC(C)(C)C ZINC001574520523 950735306 /nfs/dbraw/zinc/73/53/06/950735306.db2.gz UBJOWTLJHQXVAZ-SNVBAGLBSA-N -1 3 335.839 3.921 20 0 EHADHM Cc1nn(-c2cccc(C)c2)cc1CN1CCC(CCC(=O)[O-])CC1 ZINC000901502651 956331539 /nfs/dbraw/zinc/33/15/39/956331539.db2.gz VVKFLYSHZXRUNL-UHFFFAOYSA-N -1 3 341.455 3.566 20 0 EHADHM O=C([O-])[C@H]1CN(CCc2ccc(F)cc2Cl)Cc2ccccc21 ZINC000901622050 956382252 /nfs/dbraw/zinc/38/22/52/956382252.db2.gz MEDAPRYORXQNRC-INIZCTEOSA-N -1 3 333.790 3.706 20 0 EHADHM CC[C@]1(C(=O)[O-])CCCN(Cc2ncc(-c3ccccc3F)o2)C1 ZINC000923469238 957117209 /nfs/dbraw/zinc/11/72/09/957117209.db2.gz AVCQZPTZJOXOCO-SFHVURJKSA-N -1 3 332.375 3.558 20 0 EHADHM O=C([O-])c1ccc(CN[C@H](c2ccc(F)cc2)[C@H]2CCCO2)s1 ZINC001574802794 957842086 /nfs/dbraw/zinc/84/20/86/957842086.db2.gz NCQYQAPBLVKTFX-GDBMZVCRSA-N -1 3 335.400 3.595 20 0 EHADHM O=C([O-])c1ccc(CN[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)s1 ZINC001574802795 957842201 /nfs/dbraw/zinc/84/22/01/957842201.db2.gz NCQYQAPBLVKTFX-GOEBONIOSA-N -1 3 335.400 3.595 20 0 EHADHM COc1cc(C)sc1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000182127654 1032068285 /nfs/dbraw/zinc/06/82/85/1032068285.db2.gz VHQNWHQULQNUBS-UHFFFAOYSA-N -1 3 337.451 3.897 20 0 EHADHM COc1ccccc1-c1nc(CNC2(CC(=O)[O-])CCCCC2)co1 ZINC001594136062 958708701 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ZINC000600195981 1040809308 /nfs/dbraw/zinc/80/93/08/1040809308.db2.gz LJTKGHCTARXRLP-OCCSQVGLSA-N -1 3 339.863 3.845 20 0 EHADHM O=S(=O)([N-]C[C@H]1CCCC(F)(F)C1)c1ccc(F)cc1Cl ZINC000499736468 1041075577 /nfs/dbraw/zinc/07/55/77/1041075577.db2.gz VJJGXGWFBKGIIT-VIFPVBQESA-N -1 3 341.782 3.583 20 0 EHADHM CC(=O)c1ccc(C(=O)N2CCSC[C@@H]2c2ccccc2)cc1[O-] ZINC000668812345 1041213795 /nfs/dbraw/zinc/21/37/95/1041213795.db2.gz MAPMTBVHKPHRRK-QGZVFWFLSA-N -1 3 341.432 3.525 20 0 EHADHM Cc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1C(=O)NC(C)C ZINC000433349307 1041327177 /nfs/dbraw/zinc/32/71/77/1041327177.db2.gz YHKRVVDCVYHLIH-UHFFFAOYSA-N -1 3 346.814 3.745 20 0 EHADHM Cc1ccc(-c2nnco2)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000431994624 1041454009 /nfs/dbraw/zinc/45/40/09/1041454009.db2.gz KMTHHYOMKZVZIV-UHFFFAOYSA-N -1 3 329.743 3.656 20 0 EHADHM C[C@H](c1cccc(O)c1)N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000109783041 1041490194 /nfs/dbraw/zinc/49/01/94/1041490194.db2.gz ZQFZJFZDXPFVMT-GFCCVEGCSA-N -1 3 349.390 3.568 20 0 EHADHM CCOCCSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000194546253 1041631923 /nfs/dbraw/zinc/63/19/23/1041631923.db2.gz OMMBNFBSVAWUFV-UHFFFAOYSA-N -1 3 336.438 3.514 20 0 EHADHM CCC(C)(C)c1ccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC000511823017 1041658947 /nfs/dbraw/zinc/65/89/47/1041658947.db2.gz NLESEWWUSHYWNU-UHFFFAOYSA-N -1 3 349.438 3.730 20 0 EHADHM CCC(C)(C)c1ccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC000511823017 1041658955 /nfs/dbraw/zinc/65/89/55/1041658955.db2.gz NLESEWWUSHYWNU-UHFFFAOYSA-N -1 3 349.438 3.730 20 0 EHADHM CC(=O)c1c(C)cc(C)c(CNC(C)(C)c2nc(C)cc(=O)[n-]2)c1C ZINC000660744695 1041795870 /nfs/dbraw/zinc/79/58/70/1041795870.db2.gz DZZOSNFQDIJLRG-UHFFFAOYSA-N -1 3 341.455 3.643 20 0 EHADHM CCc1nc(C(C)C)ccc1CNC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000660749139 1041804187 /nfs/dbraw/zinc/80/41/87/1041804187.db2.gz GARQDXOTPCEJKJ-UHFFFAOYSA-N -1 3 328.460 3.596 20 0 EHADHM COc1cccc(-c2nc(CN(CCC(=O)[O-])CC3CC3)cs2)c1 ZINC000652467759 1042491660 /nfs/dbraw/zinc/49/16/60/1042491660.db2.gz JYGBDIQQGVYRQX-UHFFFAOYSA-N -1 3 346.452 3.505 20 0 EHADHM Cc1ccc(C(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c([O-])c1 ZINC000051468103 1042703245 /nfs/dbraw/zinc/70/32/45/1042703245.db2.gz HIOBEWSLWDQUIF-PXNSSMCTSA-N -1 3 339.435 3.941 20 0 EHADHM O=S(=O)([N-]C1CCCC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500441051 1042745157 /nfs/dbraw/zinc/74/51/57/1042745157.db2.gz ONAFZLZCZGUELB-UHFFFAOYSA-N -1 3 342.873 3.684 20 0 EHADHM CC(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2OC(C)C)cc1[O-] ZINC000663546124 1042986666 /nfs/dbraw/zinc/98/66/66/1042986666.db2.gz NYDFMWHHGXQYBV-CYBMUJFWSA-N -1 3 341.407 3.873 20 0 EHADHM CCc1cc(=O)[n-]c(CN(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)n1 ZINC000344365740 1043747229 /nfs/dbraw/zinc/74/72/29/1043747229.db2.gz FBSIIJJECYEVGF-WBMJQRKESA-N -1 3 327.428 3.626 20 0 EHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc(-n2ccnc2)cc1 ZINC000344447787 1044023584 /nfs/dbraw/zinc/02/35/84/1044023584.db2.gz LMIWAIGJUXRPSB-UHFFFAOYSA-N -1 3 339.370 3.678 20 0 EHADHM O=C(NCc1ccc([O-])c(F)c1)NC[C@@H](c1ccccc1)C1CC1 ZINC000432608690 1044490968 /nfs/dbraw/zinc/49/09/68/1044490968.db2.gz UQDLHWKIHKZSAB-INIZCTEOSA-N -1 3 328.387 3.524 20 0 EHADHM CCC(C)(C)c1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000512283135 1044539909 /nfs/dbraw/zinc/53/99/09/1044539909.db2.gz WXOQTKVWQOLWEF-UHFFFAOYSA-N -1 3 335.411 3.807 20 0 EHADHM CCC(C)(C)c1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000512283135 1044539924 /nfs/dbraw/zinc/53/99/24/1044539924.db2.gz WXOQTKVWQOLWEF-UHFFFAOYSA-N -1 3 335.411 3.807 20 0 EHADHM COC(=O)c1cnc(SCCOc2cc(Cl)cc(Cl)c2)[n-]1 ZINC000432669251 1044673772 /nfs/dbraw/zinc/67/37/72/1044673772.db2.gz PUQGZBIYCISENL-UHFFFAOYSA-N -1 3 347.223 3.674 20 0 EHADHM COC(=O)c1cnc(SCc2csc(-c3ccc(C)o3)n2)[n-]1 ZINC000432672633 1044705782 /nfs/dbraw/zinc/70/57/82/1044705782.db2.gz YVTSRQGBKDMYPD-UHFFFAOYSA-N -1 3 335.410 3.514 20 0 EHADHM O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(Cl)cc1[O-] ZINC000153617220 1125637529 /nfs/dbraw/zinc/63/75/29/1125637529.db2.gz 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1126848073 /nfs/dbraw/zinc/84/80/73/1126848073.db2.gz OGKLIIFGCOONLC-MRVPVSSYSA-N -1 3 328.746 3.914 20 0 EHADHM Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(F)ccc3[O-])cc2)n1 ZINC000174880636 1126862385 /nfs/dbraw/zinc/86/23/85/1126862385.db2.gz VDUPYGPASUPWLF-UHFFFAOYSA-N -1 3 325.343 3.586 20 0 EHADHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccccc2-c2ccno2)c1 ZINC000499347794 1126882351 /nfs/dbraw/zinc/88/23/51/1126882351.db2.gz QYFPUYJLJHTKEW-UHFFFAOYSA-N -1 3 332.356 3.590 20 0 EHADHM CCOc1ccc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000623172713 1126888284 /nfs/dbraw/zinc/88/82/84/1126888284.db2.gz LJNXNMCUQODXLM-UHFFFAOYSA-N -1 3 339.435 3.886 20 0 EHADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(Oc3ccc(C)c(C)c3)CC2)n1 ZINC000192546411 1126918230 /nfs/dbraw/zinc/91/82/30/1126918230.db2.gz UPSKQTNHXYGATN-INIZCTEOSA-N -1 3 341.455 3.712 20 0 EHADHM CCOC(=O)c1cnc(C(C)=Cc2ccc(Cl)c(F)c2)[n-]c1=O ZINC000347481553 1126987875 /nfs/dbraw/zinc/98/78/75/1126987875.db2.gz JIGDFWSXPLYWBQ-TWGQIWQCSA-N -1 3 336.750 3.712 20 0 EHADHM COc1ccc(OC)c([C@H]2CCCN2C(=O)c2c(C)cccc2[O-])c1 ZINC000623580583 1126990392 /nfs/dbraw/zinc/99/03/92/1126990392.db2.gz ZYEBCQZBOFZAPX-MRXNPFEDSA-N -1 3 341.407 3.695 20 0 EHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(F)c(F)c1 ZINC000179655333 1127078518 /nfs/dbraw/zinc/07/85/18/1127078518.db2.gz CXADVKKBPUMFRH-UHFFFAOYSA-N -1 3 328.112 3.685 20 0 EHADHM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001299248330 1127088118 /nfs/dbraw/zinc/08/81/18/1127088118.db2.gz JMCAJQANLPLCBN-DZGCQCFKSA-N -1 3 348.393 3.751 20 0 EHADHM C[C@H](CC(=O)Nc1ccc(Br)cc1[O-])C(F)(F)F ZINC000624056933 1127239784 /nfs/dbraw/zinc/23/97/84/1127239784.db2.gz SRKKVCCGNDSVBV-ZCFIWIBFSA-N -1 3 326.112 3.682 20 0 EHADHM CCCc1c(C(=O)Nc2cccc([O-])c2F)cnn1-c1ccccc1 ZINC000183804260 1127387788 /nfs/dbraw/zinc/38/77/88/1127387788.db2.gz VFLLMEWMGBQBFF-UHFFFAOYSA-N -1 3 339.370 3.922 20 0 EHADHM CCC1([N-]S(=O)(=O)c2ccc(Br)s2)CCCC1 ZINC000382565363 1127513250 /nfs/dbraw/zinc/51/32/50/1127513250.db2.gz NRFKHHVXSSHOTE-UHFFFAOYSA-N -1 3 338.292 3.512 20 0 EHADHM COc1ccc(C(=O)Nc2ccc(Br)cc2[O-])c(F)c1 ZINC000125978348 1127532167 /nfs/dbraw/zinc/53/21/67/1127532167.db2.gz QNAZGVUYVAXCHS-UHFFFAOYSA-N -1 3 340.148 3.555 20 0 EHADHM O=C1[N-]C(=O)/C(=C\c2cnc(-c3cccs3)s2)c2ccccc21 ZINC000083535734 1127649983 /nfs/dbraw/zinc/64/99/83/1127649983.db2.gz KRDSCMDUENUBSO-JYRVWZFOSA-N -1 3 338.413 3.682 20 0 EHADHM Cc1cccc([O-])c1C(=O)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000624288424 1127784607 /nfs/dbraw/zinc/78/46/07/1127784607.db2.gz LBUVYEISEZSLSV-UHFFFAOYSA-N -1 3 347.361 3.662 20 0 EHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C)cc1Cl ZINC000032587829 1127853633 /nfs/dbraw/zinc/85/36/33/1127853633.db2.gz NVHYNOFDDZWACZ-UHFFFAOYSA-N -1 3 329.780 3.597 20 0 EHADHM O=C(NCc1ccc(OCC2CC2)nc1)c1cc([O-])c2ccccc2c1 ZINC000471969207 1127905118 /nfs/dbraw/zinc/90/51/18/1127905118.db2.gz IECNMJIGSDUZBB-UHFFFAOYSA-N -1 3 348.402 3.659 20 0 EHADHM C[C@@H](CC(=O)c1cccs1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000472406347 1127944749 /nfs/dbraw/zinc/94/47/49/1127944749.db2.gz JJDHJBSRRAFEJR-LBPRGKRZSA-N -1 3 339.416 3.998 20 0 EHADHM CCCCc1nc(NC(=O)c2ccoc2C2CC2)c(C(=O)OCC)[n-]1 ZINC000282187249 1128049100 /nfs/dbraw/zinc/04/91/00/1128049100.db2.gz KNHCISYGYPCUTG-UHFFFAOYSA-N -1 3 345.399 3.652 20 0 EHADHM CC(=O)Nc1ccc2nc(NC(=O)c3ccc(C)cc3[O-])sc2c1 ZINC000058565732 1128072487 /nfs/dbraw/zinc/07/24/87/1128072487.db2.gz PIJVXAZPHOOWIS-UHFFFAOYSA-N -1 3 341.392 3.521 20 0 EHADHM Cn1nccc1[C@@H]1CCCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000281936167 1128148869 /nfs/dbraw/zinc/14/88/69/1128148869.db2.gz HOIRCYLIYXIFFE-SFHVURJKSA-N -1 3 335.407 3.646 20 0 EHADHM CC(C)(C)c1nsc([N-]C(=O)c2ccc(Br)s2)n1 ZINC000068074193 1128258417 /nfs/dbraw/zinc/25/84/17/1128258417.db2.gz UAPNSPIMQYPALX-UHFFFAOYSA-N -1 3 346.275 3.912 20 0 EHADHM COc1cc(OC)cc(N(C)C(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000473208721 1128210436 /nfs/dbraw/zinc/21/04/36/1128210436.db2.gz QRGDAUWPIQQDFC-UHFFFAOYSA-N -1 3 337.375 3.839 20 0 EHADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(Cn2cccn2)cc1 ZINC000067139049 1128235200 /nfs/dbraw/zinc/23/52/00/1128235200.db2.gz XJAFJPYGRNDODL-UHFFFAOYSA-N -1 3 327.771 3.543 20 0 EHADHM CC(C)c1ccc(C(=O)N2CCO[C@H](c3ccccc3F)C2)c([O-])c1 ZINC000067177171 1128235843 /nfs/dbraw/zinc/23/58/43/1128235843.db2.gz KVMSUZNXURJWTA-IBGZPJMESA-N -1 3 343.398 3.868 20 0 EHADHM Cc1cccc([O-])c1C(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000624415859 1128355683 /nfs/dbraw/zinc/35/56/83/1128355683.db2.gz HYWGDCHJZLKQLH-GASCZTMLSA-N -1 3 340.423 3.567 20 0 EHADHM CC[C@@H]1CCc2nc([N-]C(=O)c3ocnc3C(F)F)sc2C1 ZINC000624422106 1128357981 /nfs/dbraw/zinc/35/79/81/1128357981.db2.gz DFMUPEPRUQFAFE-SSDOTTSWSA-N -1 3 327.356 3.836 20 0 EHADHM Cc1cccc([O-])c1C(=O)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000624537335 1128388991 /nfs/dbraw/zinc/38/89/91/1128388991.db2.gz CIGSVSLLJAZCNO-KRWDZBQOSA-N -1 3 325.408 3.522 20 0 EHADHM [O-]c1coc2cc(OCc3nnc(-c4ccccc4Cl)o3)ccc12 ZINC000642608482 1128398634 /nfs/dbraw/zinc/39/86/34/1128398634.db2.gz 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/nfs/dbraw/zinc/66/78/42/1132667842.db2.gz SIHOKEHXHSQPJY-UHFFFAOYSA-N -1 3 347.300 3.832 20 0 EHADHM O=C(NC1CC1)c1ccc(Nc2nc3c(cccc3[O-])s2)cc1 ZINC001175601661 1132708356 /nfs/dbraw/zinc/70/83/56/1132708356.db2.gz PIEJVSOZEDEIEE-UHFFFAOYSA-N -1 3 325.393 3.638 20 0 EHADHM CC(C)S(=O)(=O)c1ccccc1Nc1ccc(Cl)c([O-])c1 ZINC001212591285 1132785465 /nfs/dbraw/zinc/78/54/65/1132785465.db2.gz DWUBHCCYDQAOFI-UHFFFAOYSA-N -1 3 325.817 3.971 20 0 EHADHM CCN(CC)C(=O)c1ccc(F)c(Nc2ncc(Cl)cc2[O-])c1 ZINC001176067653 1132841519 /nfs/dbraw/zinc/84/15/19/1132841519.db2.gz VUHDBLXPEVXSFU-UHFFFAOYSA-N -1 3 337.782 3.805 20 0 EHADHM CCOC(=O)c1ccc(Nc2ccc(Cl)c([O-])c2)c2c1OCCO2 ZINC001212595305 1132870926 /nfs/dbraw/zinc/87/09/26/1132870926.db2.gz NBEHIRVCLBDWLU-UHFFFAOYSA-N -1 3 349.770 3.737 20 0 EHADHM COc1ccc(Nc2cc(Br)cc(F)c2[O-])cc1O ZINC001176260312 1132896784 /nfs/dbraw/zinc/89/67/84/1132896784.db2.gz HOLKRVAHIGKXDA-UHFFFAOYSA-N -1 3 328.137 3.752 20 0 EHADHM CCc1cc([N-]S(=O)(=O)c2ccc(N)c(Cl)c2)ccc1Cl ZINC001176390940 1132917139 /nfs/dbraw/zinc/91/71/39/1132917139.db2.gz FLZGZMACJDCHKM-UHFFFAOYSA-N -1 3 345.251 3.939 20 0 EHADHM Cc1c([O-])ccc2c(CN[C@@H](C(C)(C)C)C(F)(F)F)cc(=O)oc12 ZINC000746485665 1133044354 /nfs/dbraw/zinc/04/43/54/1133044354.db2.gz ZTBKDTJRQYEIKH-HNNXBMFYSA-N -1 3 343.345 3.874 20 0 EHADHM Cc1c([O-])ccc2c(CN3CCc4cc(F)ccc4C3)cc(=O)oc12 ZINC000768827451 1133189464 /nfs/dbraw/zinc/18/94/64/1133189464.db2.gz UATFLYRACSGNLG-UHFFFAOYSA-N -1 3 339.366 3.504 20 0 EHADHM COc1cc(NC(=O)Cc2ccc([O-])c(F)c2)cc2ccccc21 ZINC001178753496 1133195732 /nfs/dbraw/zinc/19/57/32/1133195732.db2.gz QCZXZKURLSETNV-UHFFFAOYSA-N -1 3 325.339 3.874 20 0 EHADHM Cc1noc2ncc([N-]S(=O)(=O)/C=C/c3cccc(Cl)c3)cc12 ZINC000768887108 1133196361 /nfs/dbraw/zinc/19/63/61/1133196361.db2.gz HLSJAWAYHDRMBP-AATRIKPKSA-N -1 3 349.799 3.597 20 0 EHADHM CC(=O)c1cccc([O-])c1NC(=O)Cc1c(Cl)ccc(C)c1F ZINC001179976445 1133308669 /nfs/dbraw/zinc/30/86/69/1133308669.db2.gz JGTLMPMYHPRRCQ-UHFFFAOYSA-N -1 3 335.762 3.877 20 0 EHADHM CCc1ccc([O-])c(C(=O)Nc2nc(CN(CC)CC)cs2)c1 ZINC000769717728 1133334281 /nfs/dbraw/zinc/33/42/81/1133334281.db2.gz YZELBQZRTQSMHQ-UHFFFAOYSA-N -1 3 333.457 3.505 20 0 EHADHM CC(C)c1ccc(C(=O)N[C@H](C)[C@@H](O)c2ccc(F)cc2)c([O-])c1 ZINC000770039199 1133381115 /nfs/dbraw/zinc/38/11/15/1133381115.db2.gz PEIXDFWVPXIHLM-KZULUSFZSA-N -1 3 331.387 3.507 20 0 EHADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)C1=COCC1 ZINC000770083773 1133384704 /nfs/dbraw/zinc/38/47/04/1133384704.db2.gz YHTPBUQNBBUECU-UHFFFAOYSA-N -1 3 338.388 3.912 20 0 EHADHM Cc1c(Cl)cc(NC(=O)CN(C)C2CCCC2)c([O-])c1Cl ZINC001180629386 1133400550 /nfs/dbraw/zinc/40/05/50/1133400550.db2.gz KMKZAMSAHIMKSQ-UHFFFAOYSA-N -1 3 331.243 3.820 20 0 EHADHM O=C(CCc1ccc(Oc2ccccc2)cc1)NCc1ncccc1[O-] ZINC001180929930 1133430398 /nfs/dbraw/zinc/43/03/98/1133430398.db2.gz BYEDSEZYTSJULP-UHFFFAOYSA-N -1 3 348.402 3.829 20 0 EHADHM CSc1ccc([O-])c(C(=O)NC[C@H](Nc2ccccc2)C(C)C)c1 ZINC001181042586 1133443966 /nfs/dbraw/zinc/44/39/66/1133443966.db2.gz OWFHKQOZZHHYCC-KRWDZBQOSA-N -1 3 344.480 3.981 20 0 EHADHM [O-]c1ccc(CN2CCC[C@H]2Cn2cnc3ccccc32)c(F)c1F ZINC001181535423 1133498800 /nfs/dbraw/zinc/49/88/00/1133498800.db2.gz PQUOGTSKBXEMGZ-AWEZNQCLSA-N -1 3 343.377 3.685 20 0 EHADHM CCc1cc(C[N-]C(=O)C(F)(F)c2cc(Cl)ccc2Cl)[nH]n1 ZINC000817533109 1133532349 /nfs/dbraw/zinc/53/23/49/1133532349.db2.gz LUERYQXSGAYURF-UHFFFAOYSA-N -1 3 348.180 3.687 20 0 EHADHM CCc1cc(C[N-]C(=O)C(F)(F)c2cc(Cl)ccc2Cl)n[nH]1 ZINC000817533109 1133532355 /nfs/dbraw/zinc/53/23/55/1133532355.db2.gz LUERYQXSGAYURF-UHFFFAOYSA-N -1 3 348.180 3.687 20 0 EHADHM C[C@@H](Oc1cccnc1NC([O-])=NOCC(F)F)c1ccccc1 ZINC000771821118 1133601778 /nfs/dbraw/zinc/60/17/78/1133601778.db2.gz OWMQCRSLGLVJDC-LLVKDONJSA-N -1 3 337.326 3.540 20 0 EHADHM C[C@@H](Oc1cccnc1NC(=O)[N-]OCC(F)F)c1ccccc1 ZINC000771821118 1133601781 /nfs/dbraw/zinc/60/17/81/1133601781.db2.gz OWMQCRSLGLVJDC-LLVKDONJSA-N -1 3 337.326 3.540 20 0 EHADHM CN(Cc1ncc(Br)cc1[O-])C(C)(C)c1ccccc1 ZINC001182753769 1133723454 /nfs/dbraw/zinc/72/34/54/1133723454.db2.gz KBGJHHHBOUXGMS-UHFFFAOYSA-N -1 3 335.245 3.917 20 0 EHADHM CCC1(CC)CCCN(Cc2ncc(Br)cc2[O-])C1 ZINC001182880218 1133741663 /nfs/dbraw/zinc/74/16/63/1133741663.db2.gz CTCRPIWEYSFCGI-UHFFFAOYSA-N -1 3 327.266 3.952 20 0 EHADHM O=C([N-][C@H](c1cncc(F)c1)C1CC1)C(F)(F)c1ccc(F)cc1 ZINC001182890741 1133744895 /nfs/dbraw/zinc/74/48/95/1133744895.db2.gz SNSINMODHZDCAV-HNNXBMFYSA-N -1 3 338.304 3.719 20 0 EHADHM O=C(Nc1cc2ccccc2cc1[O-])C(F)(F)OCC(F)(F)F ZINC001183195778 1133777294 /nfs/dbraw/zinc/77/72/94/1133777294.db2.gz RSWPJMFTJVTYEI-UHFFFAOYSA-N -1 3 335.228 3.656 20 0 EHADHM CC(=O)[C@@H](Cc1cccc(Cl)c1F)OC(=O)c1cc2occc2[n-]1 ZINC000786030862 1133792596 /nfs/dbraw/zinc/79/25/96/1133792596.db2.gz ZFUGFELCDFEPJB-CQSZACIVSA-N -1 3 349.745 3.911 20 0 EHADHM Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc3occc3[n-]2)c(C)c1 ZINC000786032579 1133793942 /nfs/dbraw/zinc/79/39/42/1133793942.db2.gz DMVJJPQGDGBOKH-GFCCVEGCSA-N -1 3 326.352 3.562 20 0 EHADHM CCc1ccc2c(COC(=O)c3cc4occc4[n-]3)cc(=O)oc2c1 ZINC000786032981 1133794484 /nfs/dbraw/zinc/79/44/84/1133794484.db2.gz MEUXCIZYIVMQJL-UHFFFAOYSA-N -1 3 337.331 3.787 20 0 EHADHM CC(C)N(C(=O)[C@H](C)OC(=O)c1cc2sccc2c([O-])c1)C(C)C ZINC000786141758 1133806118 /nfs/dbraw/zinc/80/61/18/1133806118.db2.gz MQMGCFLGDTTXMF-LBPRGKRZSA-N -1 3 349.452 3.798 20 0 EHADHM CC(C)c1ccc(C(=O)NCc2cc(Br)ccn2)c([O-])c1 ZINC001183599911 1133833347 /nfs/dbraw/zinc/83/33/47/1133833347.db2.gz NMHXBKYEVXNEEX-UHFFFAOYSA-N -1 3 349.228 3.603 20 0 EHADHM [O-]c1ccc(F)c(CNCC(F)(F)c2ccc(F)cc2F)c1F ZINC001183685864 1133841368 /nfs/dbraw/zinc/84/13/68/1133841368.db2.gz NIDURAAOKCXSAU-UHFFFAOYSA-N -1 3 335.247 3.830 20 0 EHADHM O=C(C[C@H](c1c[nH]c2ccccc21)C(F)(F)F)Nc1ncccc1[O-] ZINC001183863452 1133873136 /nfs/dbraw/zinc/87/31/36/1133873136.db2.gz VEDSAWSYJJREHO-GFCCVEGCSA-N -1 3 349.312 3.943 20 0 EHADHM Cc1cccc(OCCCNC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000786711116 1133888894 /nfs/dbraw/zinc/88/88/94/1133888894.db2.gz WYJJPGWUSGOXTI-UHFFFAOYSA-N -1 3 345.414 3.748 20 0 EHADHM CC(C)CC(=O)C(=O)[N-]c1cc(-c2cccc(C(F)(F)F)c2)no1 ZINC001184323847 1133927528 /nfs/dbraw/zinc/92/75/28/1133927528.db2.gz CQWRSIIBKFSLQS-UHFFFAOYSA-N -1 3 340.301 3.914 20 0 EHADHM Cc1ccc2[nH]cc([C@H](C(=O)Nc3cncc([O-])c3)C(F)(F)F)c2c1 ZINC001184929115 1134006051 /nfs/dbraw/zinc/00/60/51/1134006051.db2.gz DKHYDWKDOGCGQT-OAHLLOKOSA-N -1 3 349.312 3.862 20 0 EHADHM CCC1(CC)Oc2ccc(NC([O-])=NO[C@H]3CCCCO3)cc2O1 ZINC000787487829 1134012113 /nfs/dbraw/zinc/01/21/13/1134012113.db2.gz TWEXHXBDDALZJY-HNNXBMFYSA-N -1 3 336.388 3.554 20 0 EHADHM CCC1(CC)Oc2ccc(NC(=O)[N-]O[C@H]3CCCCO3)cc2O1 ZINC000787487829 1134012120 /nfs/dbraw/zinc/01/21/20/1134012120.db2.gz TWEXHXBDDALZJY-HNNXBMFYSA-N -1 3 336.388 3.554 20 0 EHADHM O=S(=O)(Cc1cc(F)cc(F)c1)[N-]c1ccc(Cl)cc1F ZINC001185123400 1134039123 /nfs/dbraw/zinc/03/91/23/1134039123.db2.gz JLELHANAQINDIX-UHFFFAOYSA-N -1 3 335.734 3.699 20 0 EHADHM CC(=O)c1cccc([O-])c1NC(=O)C1(CC2CCC2)CCOCC1 ZINC001185208413 1134050154 /nfs/dbraw/zinc/05/01/54/1134050154.db2.gz NKERAUMOYRMPNB-UHFFFAOYSA-N -1 3 331.412 3.520 20 0 EHADHM Cc1ccc(CNC(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC001185401727 1134079104 /nfs/dbraw/zinc/07/91/04/1134079104.db2.gz WDEVYFUMONXBGT-UHFFFAOYSA-N -1 3 335.201 3.785 20 0 EHADHM O=C(Cc1cc(Cl)ccc1Br)[N-]OC1CCCC1 ZINC000774876826 1134086647 /nfs/dbraw/zinc/08/66/47/1134086647.db2.gz YYEVVJLXRGLQQR-UHFFFAOYSA-N -1 3 332.625 3.635 20 0 EHADHM O=C(Nc1cccc(C2OCCO2)c1)c1cc2c(cc1[O-])CCCC2 ZINC000788208120 1134095417 /nfs/dbraw/zinc/09/54/17/1134095417.db2.gz JMHJSKNLMFHDQF-UHFFFAOYSA-N -1 3 339.391 3.569 20 0 EHADHM COc1ccc2[nH]cc(/C=C/C(=O)Nc3ccc(F)c([O-])c3)c2c1 ZINC001185753153 1134133884 /nfs/dbraw/zinc/13/38/84/1134133884.db2.gz KVEWGBUNDOHXMR-FARCUNLSSA-N -1 3 326.327 3.673 20 0 EHADHM CC(=O)c1cccc([O-])c1NC(=O)[C@@H]1CC(=O)c2cc(Cl)ccc21 ZINC001186251613 1134193599 /nfs/dbraw/zinc/19/35/99/1134193599.db2.gz LYDIMXZYEWAJQV-CQSZACIVSA-N -1 3 343.766 3.557 20 0 EHADHM CC1(C)CCCC[C@@H]1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000789062687 1134213982 /nfs/dbraw/zinc/21/39/82/1134213982.db2.gz BEONESZRTOLFJG-CYBMUJFWSA-N -1 3 330.384 3.702 20 0 EHADHM Cc1cccc([C@H](C)C[N-]S(=O)(=O)c2ccc(C)c(F)c2F)c1 ZINC001187242480 1134313161 /nfs/dbraw/zinc/31/31/61/1134313161.db2.gz XLKDMVZLEUCNPQ-CYBMUJFWSA-N -1 3 339.407 3.664 20 0 EHADHM O=S(=O)([N-][C@H]1C[C@H]1C1CCCCC1)c1cnc(Cl)c(Cl)c1 ZINC001187563229 1134352868 /nfs/dbraw/zinc/35/28/68/1134352868.db2.gz DJUKNTNSQNPFBB-AAEUAGOBSA-N -1 3 349.283 3.636 20 0 EHADHM CC[C@H](C)n1ncc([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)c1C ZINC000790419661 1134414277 /nfs/dbraw/zinc/41/42/77/1134414277.db2.gz MXDXJPBFQHTBAJ-PRDAAYKISA-N -1 3 337.420 3.714 20 0 EHADHM O=C(Nc1cnccc1-c1ccccc1)c1nnc2ccccc2c1[O-] ZINC000791231062 1134519117 /nfs/dbraw/zinc/51/91/17/1134519117.db2.gz YJUHEZHSEJIAOK-UHFFFAOYSA-N -1 3 342.358 3.650 20 0 EHADHM COc1ccc(OC)c(NC(=O)c2cc3sccc3c([O-])c2)c1 ZINC000791295410 1134526673 /nfs/dbraw/zinc/52/66/73/1134526673.db2.gz UHNXZEFGQBYCMJ-UHFFFAOYSA-N -1 3 329.377 3.876 20 0 EHADHM CCOC(=O)c1cc([N-]C(=O)Nc2cc(Cl)ccc2Cl)on1 ZINC001188973199 1134527683 /nfs/dbraw/zinc/52/76/83/1134527683.db2.gz SOHXGPNZOCWXQF-UHFFFAOYSA-N -1 3 344.154 3.802 20 0 EHADHM C[C@@H](CNC(=O)c1cc2sccc2c([O-])c1)Oc1cccc(F)c1 ZINC000791376453 1134537156 /nfs/dbraw/zinc/53/71/56/1134537156.db2.gz MVWGIWBPSVHXQR-NSHDSACASA-N -1 3 345.395 3.943 20 0 EHADHM CN(C)c1ccc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)cc1 ZINC001189346937 1134567079 /nfs/dbraw/zinc/56/70/79/1134567079.db2.gz BDKQPTSLANLNGI-UHFFFAOYSA-N -1 3 344.411 3.846 20 0 EHADHM O=S(=O)(Cc1cccc(F)c1F)[N-]c1cnc2ccsc2c1 ZINC001189426644 1134585417 /nfs/dbraw/zinc/58/54/17/1134585417.db2.gz XERSMIGLCDGYTM-UHFFFAOYSA-N -1 3 340.376 3.516 20 0 EHADHM [O-]c1ccccc1-c1nnc(CSc2ccc3c(c2)CCO3)o1 ZINC001189514321 1134594232 /nfs/dbraw/zinc/59/42/32/1134594232.db2.gz YLORTHFJOZKDTP-UHFFFAOYSA-N -1 3 326.377 3.669 20 0 EHADHM COc1cc(Cl)cc([N-]S(=O)(=O)Cc2cc(F)ccc2F)c1 ZINC001189688523 1134611530 /nfs/dbraw/zinc/61/15/30/1134611530.db2.gz NBFWVMGSVFHRTM-UHFFFAOYSA-N -1 3 347.770 3.569 20 0 EHADHM O=S(=O)([N-]c1cccc2cc[nH]c21)C1=Cc2ccccc2OCC1 ZINC000775296879 1134617655 /nfs/dbraw/zinc/61/76/55/1134617655.db2.gz FBDVZVQPAYTPDP-UHFFFAOYSA-N -1 3 340.404 3.733 20 0 EHADHM O=C(N[C@@H]1CCCC(F)(F)C1)c1cccc(OC(F)(F)F)c1[O-] ZINC001189764789 1134623920 /nfs/dbraw/zinc/62/39/20/1134623920.db2.gz GEZHJPCPWCQXKV-MRVPVSSYSA-N -1 3 339.260 3.599 20 0 EHADHM COc1cccc2c1OCC[C@@H]2NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792123395 1134660308 /nfs/dbraw/zinc/66/03/08/1134660308.db2.gz NUCNCDGPTQPJLZ-KRWDZBQOSA-N -1 3 349.386 3.808 20 0 EHADHM C[C@H](C[C@@H](O)c1cccs1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792274270 1134676080 /nfs/dbraw/zinc/67/60/80/1134676080.db2.gz KEFFVNFCQCDHMK-SJKOYZFVSA-N -1 3 341.432 3.849 20 0 EHADHM CC(C)(CC1CC1)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC001190338700 1134685347 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EHADHM CCO[C@H](CCNC(=O)c1c[n-]c2ccccc2c1=O)C1CCCC1 ZINC000267014107 1140750473 /nfs/dbraw/zinc/75/04/73/1140750473.db2.gz PCZWRWPUUOTPOJ-GOSISDBHSA-N -1 3 342.439 3.656 20 0 EHADHM CCN(CC)c1ccc([N-]S(=O)(=O)c2cccc(C)c2)c(C)c1 ZINC000096659781 1140754519 /nfs/dbraw/zinc/75/45/19/1140754519.db2.gz WOSUOJPWNHHPEZ-UHFFFAOYSA-N -1 3 332.469 3.950 20 0 EHADHM CCCOc1ccccc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000271447307 1141370123 /nfs/dbraw/zinc/37/01/23/1141370123.db2.gz UBBHJKIKYYWERR-UHFFFAOYSA-N -1 3 327.306 3.602 20 0 EHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000078776715 217119624 /nfs/dbraw/zinc/11/96/24/217119624.db2.gz FMPJBLMEDFBJLN-JTQLQIEISA-N -1 3 347.846 3.520 20 0 EHADHM Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)c([O-])c1C ZINC000080426692 217304301 /nfs/dbraw/zinc/30/43/01/217304301.db2.gz IGDHCUVMXUNQCI-QGZVFWFLSA-N -1 3 345.826 3.876 20 0 EHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1ccccc1Cl ZINC000123717045 222322353 /nfs/dbraw/zinc/32/23/53/222322353.db2.gz KZMYQKHACTWDDW-JTQLQIEISA-N -1 3 347.846 3.520 20 0 EHADHM Cc1sc(NC(=O)[C@H](C)CC2CCCC2)c(-c2nnn[n-]2)c1C ZINC000737565516 598903973 /nfs/dbraw/zinc/90/39/73/598903973.db2.gz ZSAFTYVJMFGSQR-SECBINFHSA-N -1 3 333.461 3.700 20 0 EHADHM Cc1sc(NC(=O)[C@H](C)CC2CCCC2)c(-c2nn[n-]n2)c1C ZINC000737565516 598903975 /nfs/dbraw/zinc/90/39/75/598903975.db2.gz ZSAFTYVJMFGSQR-SECBINFHSA-N -1 3 333.461 3.700 20 0 EHADHM COc1cc(-c2nnn[n-]2)ccc1OCCSCC1CCCCC1 ZINC000737033571 598939873 /nfs/dbraw/zinc/93/98/73/598939873.db2.gz XMWLJBXTJXXVIS-UHFFFAOYSA-N -1 3 348.472 3.568 20 0 EHADHM COc1cc(-c2nn[n-]n2)ccc1OCCSCC1CCCCC1 ZINC000737033571 598939875 /nfs/dbraw/zinc/93/98/75/598939875.db2.gz XMWLJBXTJXXVIS-UHFFFAOYSA-N -1 3 348.472 3.568 20 0 EHADHM CC[C@H]1CCC[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000736398441 598973780 /nfs/dbraw/zinc/97/37/80/598973780.db2.gz AEVOVAVFQGBFIL-VHSXEESVSA-N -1 3 340.353 3.661 20 0 EHADHM CC[C@H]1CCC[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000736398441 598973782 /nfs/dbraw/zinc/97/37/82/598973782.db2.gz AEVOVAVFQGBFIL-VHSXEESVSA-N -1 3 340.353 3.661 20 0 EHADHM CC[C@@H]1CCCC[C@H]1Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736400136 599043438 /nfs/dbraw/zinc/04/34/38/599043438.db2.gz MEGIKTRCCFSXKT-MWLCHTKSSA-N -1 3 340.353 3.661 20 0 EHADHM CC[C@@H]1CCCC[C@H]1Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736400136 599043440 /nfs/dbraw/zinc/04/34/40/599043440.db2.gz MEGIKTRCCFSXKT-MWLCHTKSSA-N -1 3 340.353 3.661 20 0 EHADHM C[C@@H]1CN(c2ccc(F)cc2-c2nnn[n-]2)CC[C@H]1c1ccccc1 ZINC000820774838 599050497 /nfs/dbraw/zinc/05/04/97/599050497.db2.gz GJOWIBHVIQGLBG-CZUORRHYSA-N -1 3 337.402 3.636 20 0 EHADHM C[C@@H]1CN(c2ccc(F)cc2-c2nn[n-]n2)CC[C@H]1c1ccccc1 ZINC000820774838 599050500 /nfs/dbraw/zinc/05/05/00/599050500.db2.gz GJOWIBHVIQGLBG-CZUORRHYSA-N -1 3 337.402 3.636 20 0 EHADHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2F)CC[C@@H]1c1ccccc1 ZINC000820769522 599050514 /nfs/dbraw/zinc/05/05/14/599050514.db2.gz VCPZGHGMLHVIQT-BBRMVZONSA-N -1 3 337.402 3.636 20 0 EHADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cc1F)Oc1ccc(Cl)cc1 ZINC000820276220 599091288 /nfs/dbraw/zinc/09/12/88/599091288.db2.gz UTRDOPGUQQDTOV-SNVBAGLBSA-N -1 3 347.781 3.539 20 0 EHADHM COc1ccc(C=Cc2nc3cc(C)ccc3s2)cc1-c1nnn[n-]1 ZINC000737080876 599153493 /nfs/dbraw/zinc/15/34/93/599153493.db2.gz IFUKSRHFTRQIFU-YVMONPNESA-N -1 3 349.419 3.964 20 0 EHADHM COc1ccc(C=Cc2nc3cc(C)ccc3s2)cc1-c1nn[n-]n1 ZINC000737080876 599153496 /nfs/dbraw/zinc/15/34/96/599153496.db2.gz IFUKSRHFTRQIFU-YVMONPNESA-N -1 3 349.419 3.964 20 0 EHADHM C[C@H](OC(=O)C[C@H]1CCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000736147551 599153677 /nfs/dbraw/zinc/15/36/77/599153677.db2.gz CBMWQBQWHFMBBP-XJKSGUPXSA-N -1 3 348.406 3.591 20 0 EHADHM C[C@H](OC(=O)C[C@H]1CCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000736147551 599153680 /nfs/dbraw/zinc/15/36/80/599153680.db2.gz CBMWQBQWHFMBBP-XJKSGUPXSA-N -1 3 348.406 3.591 20 0 EHADHM CC(C)n1ncc2cc(Nc3cccc(F)c3-c3nnn[n-]3)ccc21 ZINC000735963996 599231879 /nfs/dbraw/zinc/23/18/79/599231879.db2.gz UCTCBLRLUBJQLP-UHFFFAOYSA-N -1 3 337.362 3.680 20 0 EHADHM CC(C)n1ncc2cc(Nc3cccc(F)c3-c3nn[n-]n3)ccc21 ZINC000735963996 599231882 /nfs/dbraw/zinc/23/18/82/599231882.db2.gz UCTCBLRLUBJQLP-UHFFFAOYSA-N -1 3 337.362 3.680 20 0 EHADHM Cc1ccccc1[C@@H](C)CC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822345890 607270222 /nfs/dbraw/zinc/27/02/22/607270222.db2.gz VQVGMXFFUZQJJK-ZDUSSCGKSA-N -1 3 335.411 3.616 20 0 EHADHM Cc1ccccc1[C@@H](C)CC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822345890 607270223 /nfs/dbraw/zinc/27/02/23/607270223.db2.gz VQVGMXFFUZQJJK-ZDUSSCGKSA-N -1 3 335.411 3.616 20 0 EHADHM O=C([O-])CCCNCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000263451338 597264647 /nfs/dbraw/zinc/26/46/47/597264647.db2.gz ZTSUZFWOVYAUMC-UHFFFAOYSA-N -1 3 344.358 3.783 20 0 EHADHM CCC[C@]1(C)CCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000821028083 599269176 /nfs/dbraw/zinc/26/91/76/599269176.db2.gz UAUJRLQEYNLUFD-GOSISDBHSA-N -1 3 342.447 3.609 20 0 EHADHM CCC[C@]1(C)CCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000821028083 599269177 /nfs/dbraw/zinc/26/91/77/599269177.db2.gz UAUJRLQEYNLUFD-GOSISDBHSA-N -1 3 342.447 3.609 20 0 EHADHM C[C@H](NC1CCC(C(=O)[O-])CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820136370 598135652 /nfs/dbraw/zinc/13/56/52/598135652.db2.gz RCGAFTGALSJMQP-JKDOVBDQSA-N -1 3 349.818 3.684 20 0 EHADHM CC(C)COc1cccc(CNc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000735844446 598241187 /nfs/dbraw/zinc/24/11/87/598241187.db2.gz KFOGVMBXMYDTAV-UHFFFAOYSA-N -1 3 341.390 3.653 20 0 EHADHM Cc1cccc2c1CC[C@H]2Nc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000737408118 598243690 /nfs/dbraw/zinc/24/36/90/598243690.db2.gz GGRHUAFAANSKMX-OAHLLOKOSA-N -1 3 327.338 3.553 20 0 EHADHM Cc1cccc2c1CC[C@H]2Nc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000737408118 598243692 /nfs/dbraw/zinc/24/36/92/598243692.db2.gz GGRHUAFAANSKMX-OAHLLOKOSA-N -1 3 327.338 3.553 20 0 EHADHM C[C@H](NC(=O)c1ccccc1C(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820397985 607347545 /nfs/dbraw/zinc/34/75/45/607347545.db2.gz YMFSISMFGMPPAR-ZDUSSCGKSA-N -1 3 349.438 3.655 20 0 EHADHM C[C@H](NC(=O)c1ccccc1C(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820397985 607347547 /nfs/dbraw/zinc/34/75/47/607347547.db2.gz YMFSISMFGMPPAR-ZDUSSCGKSA-N -1 3 349.438 3.655 20 0 EHADHM Cc1ccccc1N(C(=O)CCc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000737427386 598297858 /nfs/dbraw/zinc/29/78/58/598297858.db2.gz DWVXDSJFHOIWGA-UHFFFAOYSA-N -1 3 349.438 3.549 20 0 EHADHM Cc1ccccc1N(C(=O)CCc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000737427386 598297860 /nfs/dbraw/zinc/29/78/60/598297860.db2.gz DWVXDSJFHOIWGA-UHFFFAOYSA-N -1 3 349.438 3.549 20 0 EHADHM Clc1ccc2c(c1)CC[C@H]2Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737574880 598392781 /nfs/dbraw/zinc/39/27/81/598392781.db2.gz VPERUZNAZRQGFS-CYBMUJFWSA-N -1 3 347.209 3.668 20 0 EHADHM Clc1ccc2c(c1)CC[C@H]2Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737574880 598392782 /nfs/dbraw/zinc/39/27/82/598392782.db2.gz VPERUZNAZRQGFS-CYBMUJFWSA-N -1 3 347.209 3.668 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1OCc1ccc(C(F)(F)F)cc1 ZINC000737221484 598394946 /nfs/dbraw/zinc/39/49/46/598394946.db2.gz KYJHYUCHXXMEQM-UHFFFAOYSA-N -1 3 334.301 3.773 20 0 EHADHM CCN(C(=O)CC1=CCCCC1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501809 598395526 /nfs/dbraw/zinc/39/55/26/598395526.db2.gz GRDSGCQYCNOOCY-AWEZNQCLSA-N -1 3 339.443 3.667 20 0 EHADHM CCN(C(=O)CC1=CCCCC1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501809 598395528 /nfs/dbraw/zinc/39/55/28/598395528.db2.gz GRDSGCQYCNOOCY-AWEZNQCLSA-N -1 3 339.443 3.667 20 0 EHADHM c1csc(-c2nc(CNc3ccc(-c4nn[n-]n4)cc3)cs2)c1 ZINC000738448408 598416108 /nfs/dbraw/zinc/41/61/08/598416108.db2.gz PDYQKCFPRFMZIT-UHFFFAOYSA-N -1 3 340.437 3.664 20 0 EHADHM c1sc(-c2ccccc2)nc1CNc1ccccc1-c1nnn[n-]1 ZINC000738423672 598419281 /nfs/dbraw/zinc/41/92/81/598419281.db2.gz RZTFYSJZIKVBNP-UHFFFAOYSA-N -1 3 334.408 3.602 20 0 EHADHM c1sc(-c2ccccc2)nc1CNc1ccccc1-c1nn[n-]n1 ZINC000738423672 598419282 /nfs/dbraw/zinc/41/92/82/598419282.db2.gz RZTFYSJZIKVBNP-UHFFFAOYSA-N -1 3 334.408 3.602 20 0 EHADHM CC(=CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735449199 598482549 /nfs/dbraw/zinc/48/25/49/598482549.db2.gz XFARJTFAEGRITE-FZDNWWAKSA-N -1 3 334.379 3.574 20 0 EHADHM CC(=CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735449199 598482548 /nfs/dbraw/zinc/48/25/48/598482548.db2.gz XFARJTFAEGRITE-FZDNWWAKSA-N -1 3 334.379 3.574 20 0 EHADHM Fc1ccc(NCc2c(Cl)cccc2Cl)cc1-c1nnn[n-]1 ZINC000737657613 598602657 /nfs/dbraw/zinc/60/26/57/598602657.db2.gz XWHGQPJYSHLZOO-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM Fc1ccc(NCc2c(Cl)cccc2Cl)cc1-c1nn[n-]n1 ZINC000737657613 598602659 /nfs/dbraw/zinc/60/26/59/598602659.db2.gz XWHGQPJYSHLZOO-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM C[C@@H]1c2ccsc2CCN1c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736301687 598631290 /nfs/dbraw/zinc/63/12/90/598631290.db2.gz CPYSILVMKLUZLY-SECBINFHSA-N -1 3 331.832 3.705 20 0 EHADHM C[C@@H]1c2ccsc2CCN1c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736301687 598631292 /nfs/dbraw/zinc/63/12/92/598631292.db2.gz CPYSILVMKLUZLY-SECBINFHSA-N -1 3 331.832 3.705 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000737639446 598680302 /nfs/dbraw/zinc/68/03/02/598680302.db2.gz BJLSCKBMPKHWOF-CYBMUJFWSA-N -1 3 343.793 3.653 20 0 EHADHM C[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1F ZINC000736136125 598786790 /nfs/dbraw/zinc/78/67/90/598786790.db2.gz ZXFCPBRMWCURDW-WDEREUQCSA-N -1 3 329.354 3.557 20 0 EHADHM Cc1sc(NC(=O)c2cccc(C(F)F)c2)c(-c2nnn[n-]2)c1C ZINC000737564569 598790619 /nfs/dbraw/zinc/79/06/19/598790619.db2.gz RCLYUTIYPXDSLM-UHFFFAOYSA-N -1 3 349.366 3.735 20 0 EHADHM Cc1sc(NC(=O)c2cccc(C(F)F)c2)c(-c2nn[n-]n2)c1C ZINC000737564569 598790620 /nfs/dbraw/zinc/79/06/20/598790620.db2.gz RCLYUTIYPXDSLM-UHFFFAOYSA-N -1 3 349.366 3.735 20 0 EHADHM CCOc1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000736645113 598794326 /nfs/dbraw/zinc/79/43/26/598794326.db2.gz UIASGZWLERUMQC-UHFFFAOYSA-N -1 3 329.791 3.531 20 0 EHADHM CCOc1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000736645113 598794328 /nfs/dbraw/zinc/79/43/28/598794328.db2.gz UIASGZWLERUMQC-UHFFFAOYSA-N -1 3 329.791 3.531 20 0 EHADHM CCN(C(=O)c1ccc(C(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736506445 599313524 /nfs/dbraw/zinc/31/35/24/599313524.db2.gz YOWCLPOYLPXANY-UHFFFAOYSA-N -1 3 335.411 3.657 20 0 EHADHM CCN(C(=O)c1ccc(C(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736506445 599313527 /nfs/dbraw/zinc/31/35/27/599313527.db2.gz YOWCLPOYLPXANY-UHFFFAOYSA-N -1 3 335.411 3.657 20 0 EHADHM CCOc1cc(F)ccc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736624536 599324085 /nfs/dbraw/zinc/32/40/85/599324085.db2.gz BOKQUIOSWGCGRH-LLVKDONJSA-N -1 3 327.363 3.578 20 0 EHADHM CCOc1cc(F)ccc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736624536 599324086 /nfs/dbraw/zinc/32/40/86/599324086.db2.gz BOKQUIOSWGCGRH-LLVKDONJSA-N -1 3 327.363 3.578 20 0 EHADHM CC(C)c1noc([C@@H](C)S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000735953622 599325177 /nfs/dbraw/zinc/32/51/77/599325177.db2.gz XCKOSLUYMZRNCB-WDEREUQCSA-N -1 3 344.444 3.929 20 0 EHADHM CC(C)c1noc([C@@H](C)S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000735953622 599325180 /nfs/dbraw/zinc/32/51/80/599325180.db2.gz XCKOSLUYMZRNCB-WDEREUQCSA-N -1 3 344.444 3.929 20 0 EHADHM CC(C)Oc1cccc(CSc2ccccc2-c2nnn[n-]2)c1 ZINC000820178383 599346444 /nfs/dbraw/zinc/34/64/44/599346444.db2.gz OBQIGIQNRTTXDD-UHFFFAOYSA-N -1 3 326.425 3.946 20 0 EHADHM CC(C)Oc1cccc(CSc2ccccc2-c2nn[n-]n2)c1 ZINC000820178383 599346447 /nfs/dbraw/zinc/34/64/47/599346447.db2.gz OBQIGIQNRTTXDD-UHFFFAOYSA-N -1 3 326.425 3.946 20 0 EHADHM C[C@H](Nc1nc(-c2ccccc2)ns1)c1cccc(-c2nnn[n-]2)c1 ZINC000820460747 599356672 /nfs/dbraw/zinc/35/66/72/599356672.db2.gz BFTIXGRKWIGBFE-NSHDSACASA-N -1 3 349.423 3.558 20 0 EHADHM C[C@H](Nc1nc(-c2ccccc2)ns1)c1cccc(-c2nn[n-]n2)c1 ZINC000820460747 599356675 /nfs/dbraw/zinc/35/66/75/599356675.db2.gz BFTIXGRKWIGBFE-NSHDSACASA-N -1 3 349.423 3.558 20 0 EHADHM Cc1nc2ccc(N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)cc2s1 ZINC000822462688 599363506 /nfs/dbraw/zinc/36/35/06/599363506.db2.gz LVOBMUCWJITCEQ-SNVBAGLBSA-N -1 3 336.424 3.958 20 0 EHADHM Cc1nc2ccc(N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)cc2s1 ZINC000822462688 599363507 /nfs/dbraw/zinc/36/35/07/599363507.db2.gz LVOBMUCWJITCEQ-SNVBAGLBSA-N -1 3 336.424 3.958 20 0 EHADHM COc1ccc([C@@H](C)Nc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000737076877 599419356 /nfs/dbraw/zinc/41/93/56/599419356.db2.gz SMOQTWNEUWCQSZ-GFCCVEGCSA-N -1 3 346.394 3.597 20 0 EHADHM COc1ccc([C@@H](C)Nc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000737076877 599419360 /nfs/dbraw/zinc/41/93/60/599419360.db2.gz SMOQTWNEUWCQSZ-GFCCVEGCSA-N -1 3 346.394 3.597 20 0 EHADHM Fc1ccc2c(c1)CC[C@H]2Nc1c(Cl)cccc1-c1nnn[n-]1 ZINC000822786263 599494159 /nfs/dbraw/zinc/49/41/59/599494159.db2.gz GSBSLSLMJDAHRQ-CQSZACIVSA-N -1 3 329.766 3.759 20 0 EHADHM Fc1ccc2c(c1)CC[C@H]2Nc1c(Cl)cccc1-c1nn[n-]n1 ZINC000822786263 599494160 /nfs/dbraw/zinc/49/41/60/599494160.db2.gz GSBSLSLMJDAHRQ-CQSZACIVSA-N -1 3 329.766 3.759 20 0 EHADHM Clc1cccc(-c2nnn[n-]2)c1NCc1cccc2cccnc21 ZINC000822585607 599504003 /nfs/dbraw/zinc/50/40/03/599504003.db2.gz GZPUAYQYFIIEBE-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM Clc1cccc(-c2nn[n-]n2)c1NCc1cccc2cccnc21 ZINC000822585607 599504005 /nfs/dbraw/zinc/50/40/05/599504005.db2.gz GZPUAYQYFIIEBE-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM CCOc1cccc([C@@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000821426391 599504016 /nfs/dbraw/zinc/50/40/16/599504016.db2.gz DTHXHBFKBONNPZ-LLVKDONJSA-N -1 3 327.363 3.578 20 0 EHADHM CCOc1cccc([C@@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821426391 599504018 /nfs/dbraw/zinc/50/40/18/599504018.db2.gz DTHXHBFKBONNPZ-LLVKDONJSA-N -1 3 327.363 3.578 20 0 EHADHM CC[C@H](Sc1cc(-c2nnn[n-]2)ccn1)c1ccc(F)cc1F ZINC000736393514 599522356 /nfs/dbraw/zinc/52/23/56/599522356.db2.gz YZPAEERKLTVUQI-ZDUSSCGKSA-N -1 3 333.367 3.783 20 0 EHADHM CC[C@H](Sc1cc(-c2nn[n-]n2)ccn1)c1ccc(F)cc1F ZINC000736393514 599522357 /nfs/dbraw/zinc/52/23/57/599522357.db2.gz YZPAEERKLTVUQI-ZDUSSCGKSA-N -1 3 333.367 3.783 20 0 EHADHM Cc1ccsc1CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000737443960 599522714 /nfs/dbraw/zinc/52/27/14/599522714.db2.gz ZINGBZXNZWUGJA-UHFFFAOYSA-N -1 3 339.346 3.868 20 0 EHADHM C[C@@H](NC(=O)C[C@@H](C)CC(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000820220157 599527537 /nfs/dbraw/zinc/52/75/37/599527537.db2.gz ODSUHSLSWIETLY-CHWSQXEVSA-N -1 3 329.448 3.506 20 0 EHADHM C[C@@H](NC(=O)C[C@@H](C)CC(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000820220157 599527540 /nfs/dbraw/zinc/52/75/40/599527540.db2.gz ODSUHSLSWIETLY-CHWSQXEVSA-N -1 3 329.448 3.506 20 0 EHADHM Cc1cccc2c1CC[C@H]2Nc1c(Cl)cccc1-c1nnn[n-]1 ZINC000822340677 599528942 /nfs/dbraw/zinc/52/89/42/599528942.db2.gz BZSUNCSRTNYCIP-OAHLLOKOSA-N -1 3 325.803 3.928 20 0 EHADHM Cc1cccc2c1CC[C@H]2Nc1c(Cl)cccc1-c1nn[n-]n1 ZINC000822340677 599528944 /nfs/dbraw/zinc/52/89/44/599528944.db2.gz BZSUNCSRTNYCIP-OAHLLOKOSA-N -1 3 325.803 3.928 20 0 EHADHM Cc1cccc2c1CC[C@@H]2Nc1c(Cl)cccc1-c1nnn[n-]1 ZINC000822340676 599529002 /nfs/dbraw/zinc/52/90/02/599529002.db2.gz BZSUNCSRTNYCIP-HNNXBMFYSA-N -1 3 325.803 3.928 20 0 EHADHM Cc1cccc2c1CC[C@@H]2Nc1c(Cl)cccc1-c1nn[n-]n1 ZINC000822340676 599529004 /nfs/dbraw/zinc/52/90/04/599529004.db2.gz BZSUNCSRTNYCIP-HNNXBMFYSA-N -1 3 325.803 3.928 20 0 EHADHM CC(C)CCOc1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820076354 599646937 /nfs/dbraw/zinc/64/69/37/599646937.db2.gz IIANLXAWLFCHCV-UHFFFAOYSA-N -1 3 337.427 3.904 20 0 EHADHM CC(C)CCOc1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820076354 599646938 /nfs/dbraw/zinc/64/69/38/599646938.db2.gz IIANLXAWLFCHCV-UHFFFAOYSA-N -1 3 337.427 3.904 20 0 EHADHM COc1ccc(CN(Cc2cc(C(=O)[O-])co2)[C@@H](C)C2CC2)cc1 ZINC000738004781 599849422 /nfs/dbraw/zinc/84/94/22/599849422.db2.gz VZDSBFLBKRFVOF-ZDUSSCGKSA-N -1 3 329.396 3.787 20 0 EHADHM O=C([O-])[C@@H]1CC12CCN(Cc1ccccc1Oc1cccnc1)CC2 ZINC000563966135 600304327 /nfs/dbraw/zinc/30/43/27/600304327.db2.gz HUACJBACNURRPN-KRWDZBQOSA-N -1 3 338.407 3.561 20 0 EHADHM COc1ccc(CN(C)[C@H](C(=O)[O-])c2cccc(Cl)c2)c(OC)c1 ZINC000737994652 600398124 /nfs/dbraw/zinc/39/81/24/600398124.db2.gz JLKZAFBHGCSPIR-KRWDZBQOSA-N -1 3 349.814 3.615 20 0 EHADHM COc1cc(CN(C)[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc(OC)c1 ZINC000737882169 600401463 /nfs/dbraw/zinc/40/14/63/600401463.db2.gz ULHMNCUVFDNWIH-QGZVFWFLSA-N -1 3 349.814 3.615 20 0 EHADHM CCCOCc1ccccc1CN[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737027396 600425181 /nfs/dbraw/zinc/42/51/81/600425181.db2.gz CCFBYDXPMHDIBZ-SFHVURJKSA-N -1 3 331.387 3.668 20 0 EHADHM O=C([O-])[C@@H](NCc1ccc(Br)c(F)c1)c1ccccc1 ZINC000161307645 600430814 /nfs/dbraw/zinc/43/08/14/600430814.db2.gz GDHULFSVCVOHSW-AWEZNQCLSA-N -1 3 338.176 3.504 20 0 EHADHM COc1ccc(CN[C@H](C(=O)[O-])c2ccccc2)c(C(F)(F)F)c1 ZINC000738008124 600433015 /nfs/dbraw/zinc/43/30/15/600433015.db2.gz DYWYMRJEIFRETI-HNNXBMFYSA-N -1 3 339.313 3.630 20 0 EHADHM O=C([O-])[C@@H](NCCOc1ccccc1)c1ccc(Cl)cc1Cl ZINC000833167107 600732831 /nfs/dbraw/zinc/73/28/31/600732831.db2.gz XSUNUDUOCISKKP-HNNXBMFYSA-N -1 3 340.206 3.788 20 0 EHADHM CCCC[C@@H](COC)N[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000829286926 600751541 /nfs/dbraw/zinc/75/15/41/600751541.db2.gz XMBDXOZHOKTCRE-FZMZJTMJSA-N -1 3 334.243 3.914 20 0 EHADHM CN(Cc1c(C(=O)[O-])sc2cccc(F)c21)C[C@@H]1CCCCO1 ZINC000320503749 600820173 /nfs/dbraw/zinc/82/01/73/600820173.db2.gz JJEFWFUKNSYMLL-NSHDSACASA-N -1 3 337.416 3.740 20 0 EHADHM Cc1ccc(CCN(Cc2occc2C(=O)[O-])C[C@H]2CCCO2)cc1 ZINC000572848325 600847848 /nfs/dbraw/zinc/84/78/48/600847848.db2.gz FSHHGUCLIFPQHX-QGZVFWFLSA-N -1 3 343.423 3.510 20 0 EHADHM COc1ccc([C@@H](N[C@H](C(=O)[O-])c2ccccc2F)C2CC2)cc1 ZINC000832246427 600893599 /nfs/dbraw/zinc/89/35/99/600893599.db2.gz VITDUYRWUKSGBR-ROUUACIJSA-N -1 3 329.371 3.701 20 0 EHADHM CCOC[C@H]1CCCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000581434685 601009393 /nfs/dbraw/zinc/00/93/93/601009393.db2.gz IFGHLGOYSFCSLK-NHYWBVRUSA-N -1 3 346.254 3.868 20 0 EHADHM Cc1cccc(NC2CCN([C@H](C(=O)[O-])c3ccccc3F)CC2)c1 ZINC000832970891 601016371 /nfs/dbraw/zinc/01/63/71/601016371.db2.gz LTKVMLYOOILPGU-IBGZPJMESA-N -1 3 342.414 3.836 20 0 EHADHM CCC1CCC(NCc2csc(-c3ccccn3)n2)(C(=O)[O-])CC1 ZINC000829107422 601496888 /nfs/dbraw/zinc/49/68/88/601496888.db2.gz KPRUYLOHQWBNIO-UHFFFAOYSA-N -1 3 345.468 3.718 20 0 EHADHM C[C@@H](N[C@H](C(=O)[O-])c1ccccc1F)c1cccc(N2CCCC2)c1 ZINC000827717346 601499807 /nfs/dbraw/zinc/49/98/07/601499807.db2.gz GRJYTGFAAQSONJ-KUHUBIRLSA-N -1 3 342.414 3.902 20 0 EHADHM CC[C@@](C)(CC(=O)[O-])NCc1csc(-c2ccccc2OC)n1 ZINC000828672135 601558123 /nfs/dbraw/zinc/55/81/23/601558123.db2.gz NNNBDGANYICJSQ-KRWDZBQOSA-N -1 3 334.441 3.552 20 0 EHADHM O=C([O-])c1cc(F)ccc1CN1CCC2(CC1)OCc1ccccc12 ZINC000833299395 601911242 /nfs/dbraw/zinc/91/12/42/601911242.db2.gz PLZIQVCKIHXWRO-UHFFFAOYSA-N -1 3 341.382 3.545 20 0 EHADHM COc1ccc(CN[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1 ZINC000832342095 601971067 /nfs/dbraw/zinc/97/10/67/601971067.db2.gz ROHXGKJMCUDROY-HNNXBMFYSA-N -1 3 340.206 3.918 20 0 EHADHM COc1cccc(CN[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)c1 ZINC000832554587 601971290 /nfs/dbraw/zinc/97/12/90/601971290.db2.gz SVSGUEJITDOCTR-OAHLLOKOSA-N -1 3 340.206 3.918 20 0 EHADHM CCc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)cc1 ZINC000830237381 602163398 /nfs/dbraw/zinc/16/33/98/602163398.db2.gz JNDLVPOSKVRZCB-ORAYPTAESA-N -1 3 343.423 3.743 20 0 EHADHM CN(CC1CCN(Cc2ccc(Cl)c3cccnc23)CC1)C(=O)[O-] ZINC000739663867 602382575 /nfs/dbraw/zinc/38/25/75/602382575.db2.gz CLWHACQNYGVINE-UHFFFAOYSA-N -1 3 347.846 3.710 20 0 EHADHM C[C@H](NC(=O)[O-])C1CCN(Cc2cc(Cl)cc3cccnc32)CC1 ZINC000739012848 602446808 /nfs/dbraw/zinc/44/68/08/602446808.db2.gz AJELODOCNPZWSV-LBPRGKRZSA-N -1 3 347.846 3.756 20 0 EHADHM O=C([O-])N1CCC[C@@H](CCNCc2nc(-c3ccccc3)cs2)C1 ZINC000740506467 602650794 /nfs/dbraw/zinc/65/07/94/602650794.db2.gz HDQXQLGIIRDTFE-AWEZNQCLSA-N -1 3 345.468 3.680 20 0 EHADHM O=C([O-])Nc1ccc(CNCc2ccc(-c3cccnc3)cc2)cn1 ZINC000832841473 603561777 /nfs/dbraw/zinc/56/17/77/603561777.db2.gz CCUDXBBMEMXSEU-UHFFFAOYSA-N -1 3 334.379 3.523 20 0 EHADHM CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824348006 607703248 /nfs/dbraw/zinc/70/32/48/607703248.db2.gz WOHROEODZJBIBK-UHFFFAOYSA-N -1 3 338.415 3.694 20 0 EHADHM CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824348006 607703250 /nfs/dbraw/zinc/70/32/50/607703250.db2.gz WOHROEODZJBIBK-UHFFFAOYSA-N -1 3 338.415 3.694 20 0 EHADHM O=C([O-])[C@@H]1CC12CCN(Cc1cnc(-c3cccs3)s1)CC2 ZINC000833771339 604650292 /nfs/dbraw/zinc/65/02/92/604650292.db2.gz ASAYCEDKJTUBLS-LBPRGKRZSA-N -1 3 334.466 3.558 20 0 EHADHM Cc1cccc(-c2ccc(CN[C@@H](C(=O)[O-])c3cccnc3)cc2)c1 ZINC000832960714 605003418 /nfs/dbraw/zinc/00/34/18/605003418.db2.gz XEJWCCQFUKBOQM-HXUWFJFHSA-N -1 3 332.403 3.973 20 0 EHADHM C[C@]1(NCc2ncc(-c3cccc(F)c3)o2)CCCC[C@@H]1C(=O)[O-] ZINC000833569587 605072017 /nfs/dbraw/zinc/07/20/17/605072017.db2.gz NXHNJFDUJHIRCV-KDOFPFPSSA-N -1 3 332.375 3.604 20 0 EHADHM C[C@@H]1C[C@@H]1[C@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccc(Cl)cc1 ZINC000833603657 605079683 /nfs/dbraw/zinc/07/96/83/605079683.db2.gz GPPMGQYPCODAGQ-GLZXHMCRSA-N -1 3 330.815 3.848 20 0 EHADHM C[C@H](Oc1ccc(CNC(C)(C)c2ccc(F)c(F)c2)cc1)C(=O)[O-] ZINC000833540946 605115509 /nfs/dbraw/zinc/11/55/09/605115509.db2.gz OFVZUTZPZLVXBI-LBPRGKRZSA-N -1 3 349.377 3.842 20 0 EHADHM C[C@@H](NCc1ccc([C@@H](C)NC(=O)[O-])cc1)c1ccnc(Cl)c1 ZINC000825502301 605118660 /nfs/dbraw/zinc/11/86/60/605118660.db2.gz HYPGMTKXCQQWSV-VXGBXAGGSA-N -1 3 333.819 3.914 20 0 EHADHM COc1ccc2c(c1)[C@@H](NCc1ccc([C@H](C)NC(=O)[O-])cc1)CC2 ZINC000829515074 605119575 /nfs/dbraw/zinc/11/95/75/605119575.db2.gz CKUIOQQSRMYKQB-DJJJIMSYSA-N -1 3 340.423 3.801 20 0 EHADHM CCc1oc(C(=O)[O-])cc1CN[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000833681333 605174183 /nfs/dbraw/zinc/17/41/83/605174183.db2.gz YGWWZDQXAHAWGH-YOEHRIQHSA-N -1 3 343.423 3.798 20 0 EHADHM CCN(Cc1cnc(Cl)s1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821230456 606153573 /nfs/dbraw/zinc/15/35/73/606153573.db2.gz KSGZFUBZXCVQCY-SNVBAGLBSA-N -1 3 348.863 3.560 20 0 EHADHM CC[C@H](C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000820842478 606340992 /nfs/dbraw/zinc/34/09/92/606340992.db2.gz NBRLJIFPKUAPHZ-DYVFJYSZSA-N -1 3 336.395 3.665 20 0 EHADHM CC[C@H](C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820842478 606340993 /nfs/dbraw/zinc/34/09/93/606340993.db2.gz NBRLJIFPKUAPHZ-DYVFJYSZSA-N -1 3 336.395 3.665 20 0 EHADHM CCCC[C@@H](CCC)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821044449 606383785 /nfs/dbraw/zinc/38/37/85/606383785.db2.gz ZXBPFPXYXGKOMN-XJKSGUPXSA-N -1 3 344.463 3.586 20 0 EHADHM CCCC[C@@H](CCC)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821044449 606383787 /nfs/dbraw/zinc/38/37/87/606383787.db2.gz ZXBPFPXYXGKOMN-XJKSGUPXSA-N -1 3 344.463 3.586 20 0 EHADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1cccc(Cl)c1Cl ZINC000822761269 606440360 /nfs/dbraw/zinc/44/03/60/606440360.db2.gz GIQKPSFESTUIMN-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1cccc(Cl)c1Cl ZINC000822761269 606440361 /nfs/dbraw/zinc/44/03/61/606440361.db2.gz GIQKPSFESTUIMN-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM Cc1cnc([C@@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C2CC2)s1 ZINC000822388988 606469119 /nfs/dbraw/zinc/46/91/19/606469119.db2.gz IBQXLGQROZXRIG-ZDUSSCGKSA-N -1 3 346.847 3.848 20 0 EHADHM Cc1cnc([C@@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C2CC2)s1 ZINC000822388988 606469120 /nfs/dbraw/zinc/46/91/20/606469120.db2.gz IBQXLGQROZXRIG-ZDUSSCGKSA-N -1 3 346.847 3.848 20 0 EHADHM CCCCC[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000821048613 606563357 /nfs/dbraw/zinc/56/33/57/606563357.db2.gz DMLUQILXHNFTFZ-INIZCTEOSA-N -1 3 343.475 3.520 20 0 EHADHM CCCCC[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000821048613 606563358 /nfs/dbraw/zinc/56/33/58/606563358.db2.gz DMLUQILXHNFTFZ-INIZCTEOSA-N -1 3 343.475 3.520 20 0 EHADHM FC(F)(F)[C@H]1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000822714365 606595461 /nfs/dbraw/zinc/59/54/61/606595461.db2.gz MEXSSTKVDPBGPF-PWSUYJOCSA-N -1 3 325.338 3.647 20 0 EHADHM c1csc(-c2nc(CNc3cccc(-c4nnn[n-]4)c3)cs2)c1 ZINC000823757304 606660306 /nfs/dbraw/zinc/66/03/06/606660306.db2.gz OCCJCRHLCQFQRM-UHFFFAOYSA-N -1 3 340.437 3.664 20 0 EHADHM c1csc(-c2nc(CNc3cccc(-c4nn[n-]n4)c3)cs2)c1 ZINC000823757304 606660307 /nfs/dbraw/zinc/66/03/07/606660307.db2.gz OCCJCRHLCQFQRM-UHFFFAOYSA-N -1 3 340.437 3.664 20 0 EHADHM CC(C)CC[C@@H]1CCCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820074045 606722263 /nfs/dbraw/zinc/72/22/63/606722263.db2.gz YVDKTTLPWBPBBN-INIZCTEOSA-N -1 3 342.447 3.689 20 0 EHADHM CC(C)CC[C@@H]1CCCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820074045 606722265 /nfs/dbraw/zinc/72/22/65/606722265.db2.gz YVDKTTLPWBPBBN-INIZCTEOSA-N -1 3 342.447 3.689 20 0 EHADHM Fc1cccc([C@H](Nc2ccc(-c3nnn[n-]3)cn2)c2ccccc2)c1 ZINC000822786436 606734227 /nfs/dbraw/zinc/73/42/27/606734227.db2.gz KGYSZSFKGOVZHA-GOSISDBHSA-N -1 3 346.369 3.602 20 0 EHADHM Fc1cccc([C@H](Nc2ccc(-c3nn[n-]n3)cn2)c2ccccc2)c1 ZINC000822786436 606734229 /nfs/dbraw/zinc/73/42/29/606734229.db2.gz KGYSZSFKGOVZHA-GOSISDBHSA-N -1 3 346.369 3.602 20 0 EHADHM C[C@H](CCSc1ccccc1)Sc1cc(-c2nnn[n-]2)ccn1 ZINC000820248972 606769744 /nfs/dbraw/zinc/76/97/44/606769744.db2.gz QBYKMHOAYHHVOB-GFCCVEGCSA-N -1 3 343.481 3.925 20 0 EHADHM C[C@H](CCSc1ccccc1)Sc1cc(-c2nn[n-]n2)ccn1 ZINC000820248972 606769746 /nfs/dbraw/zinc/76/97/46/606769746.db2.gz QBYKMHOAYHHVOB-GFCCVEGCSA-N -1 3 343.481 3.925 20 0 EHADHM Fc1cccc(CSCc2ccc(F)c(-c3nnn[n-]3)c2)c1F ZINC000822773952 606926360 /nfs/dbraw/zinc/92/63/60/606926360.db2.gz CAIKXYSURLGIQQ-UHFFFAOYSA-N -1 3 336.342 3.717 20 0 EHADHM Fc1cccc(CSCc2ccc(F)c(-c3nn[n-]n3)c2)c1F ZINC000822773952 606926362 /nfs/dbraw/zinc/92/63/62/606926362.db2.gz CAIKXYSURLGIQQ-UHFFFAOYSA-N -1 3 336.342 3.717 20 0 EHADHM CC(C)(C)c1ccccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819959031 606926931 /nfs/dbraw/zinc/92/69/31/606926931.db2.gz VQVPEFOPDINYBU-UHFFFAOYSA-N -1 3 325.391 3.915 20 0 EHADHM CC(C)(C)c1ccccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819959031 606926933 /nfs/dbraw/zinc/92/69/33/606926933.db2.gz VQVPEFOPDINYBU-UHFFFAOYSA-N -1 3 325.391 3.915 20 0 EHADHM Cc1nc2ccc(NCc3ccc(F)c(-c4nnn[n-]4)c3)cc2s1 ZINC000822464054 606928310 /nfs/dbraw/zinc/92/83/10/606928310.db2.gz ZHPMQDAPWZOGNN-UHFFFAOYSA-N -1 3 340.387 3.536 20 0 EHADHM Cc1nc2ccc(NCc3ccc(F)c(-c4nn[n-]n4)c3)cc2s1 ZINC000822464054 606928312 /nfs/dbraw/zinc/92/83/12/606928312.db2.gz ZHPMQDAPWZOGNN-UHFFFAOYSA-N -1 3 340.387 3.536 20 0 EHADHM C[C@H](Nc1ccc2c(c1)CC(C)(C)O2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820462071 607023094 /nfs/dbraw/zinc/02/30/94/607023094.db2.gz UPOMPSUTDUOPJY-LBPRGKRZSA-N -1 3 335.411 3.753 20 0 EHADHM C[C@H](Nc1ccc2c(c1)CC(C)(C)O2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820462071 607023096 /nfs/dbraw/zinc/02/30/96/607023096.db2.gz UPOMPSUTDUOPJY-LBPRGKRZSA-N -1 3 335.411 3.753 20 0 EHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc2ccccc2c1 ZINC000823318678 607191211 /nfs/dbraw/zinc/19/12/11/607191211.db2.gz HIOZEPILLXWKBV-UHFFFAOYSA-N -1 3 349.781 3.926 20 0 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ORCABZATMOJYIY-KGLIPLIRSA-N -1 3 340.456 3.501 20 0 EHADHM CS[C@H]1CCC[C@@H](Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)C1 ZINC000826227279 608228872 /nfs/dbraw/zinc/22/88/72/608228872.db2.gz ORCABZATMOJYIY-KGLIPLIRSA-N -1 3 340.456 3.501 20 0 EHADHM C[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(F)c1F ZINC000824649855 608304634 /nfs/dbraw/zinc/30/46/34/608304634.db2.gz NNCCEBLNCJPRIT-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(F)c1F ZINC000824649855 608304636 /nfs/dbraw/zinc/30/46/36/608304636.db2.gz NNCCEBLNCJPRIT-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM CCCCCCC(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825265918 608344336 /nfs/dbraw/zinc/34/43/36/608344336.db2.gz COMADWLUXDGUML-UHFFFAOYSA-N -1 3 335.839 3.843 20 0 EHADHM CCCCCCC(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825265918 608344338 /nfs/dbraw/zinc/34/43/38/608344338.db2.gz COMADWLUXDGUML-UHFFFAOYSA-N -1 3 335.839 3.843 20 0 EHADHM CCCc1nc(CSCc2cccc(-c3nnn[n-]3)c2F)cs1 ZINC000825351206 608404286 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C[C@@H](NCc1cc(-c2nn[n-]n2)ccc1F)c1c(F)cccc1Cl ZINC000824606143 608553208 /nfs/dbraw/zinc/55/32/08/608553208.db2.gz NUKIXJIPFRWYCZ-SECBINFHSA-N -1 3 349.772 3.649 20 0 EHADHM C[C@H](N[C@@H](C)c1cccc(F)c1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824532238 609155523 /nfs/dbraw/zinc/15/55/23/609155523.db2.gz SWVMRLBNYVRABR-UWVGGRQHSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@H](N[C@@H](C)c1cccc(F)c1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824532238 609155524 /nfs/dbraw/zinc/15/55/24/609155524.db2.gz SWVMRLBNYVRABR-UWVGGRQHSA-N -1 3 347.344 3.696 20 0 EHADHM COc1cc(F)ccc1N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826180824 609158520 /nfs/dbraw/zinc/15/85/20/609158520.db2.gz YJTABEDCCYWTPF-HNNXBMFYSA-N -1 3 339.374 3.504 20 0 EHADHM COc1cc(F)ccc1N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826180824 609158522 /nfs/dbraw/zinc/15/85/22/609158522.db2.gz YJTABEDCCYWTPF-HNNXBMFYSA-N -1 3 339.374 3.504 20 0 EHADHM Cc1cc(N(C)C)ccc1N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826268991 609160073 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C[C@H](Nc1ccccc1OCC(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000824662633 609243831 /nfs/dbraw/zinc/24/38/31/609243831.db2.gz OMBGBIDPFBHOQU-NSHDSACASA-N -1 3 345.353 3.684 20 0 EHADHM C[C@H](Nc1ccccc1OCC(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824662633 609243832 /nfs/dbraw/zinc/24/38/32/609243832.db2.gz OMBGBIDPFBHOQU-NSHDSACASA-N -1 3 345.353 3.684 20 0 EHADHM C[C@H](Nc1ccccc1OC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824663374 609271919 /nfs/dbraw/zinc/27/19/19/609271919.db2.gz YPMLRMFZSTUOSQ-JTQLQIEISA-N -1 3 331.326 3.641 20 0 EHADHM C[C@H](Nc1ccccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824663374 609271921 /nfs/dbraw/zinc/27/19/21/609271921.db2.gz YPMLRMFZSTUOSQ-JTQLQIEISA-N -1 3 331.326 3.641 20 0 EHADHM Clc1cc(-c2nnn[n-]2)ccc1SCc1ccc2c(c1)COC2 ZINC000826350917 609311312 /nfs/dbraw/zinc/31/13/12/609311312.db2.gz QEMXQCAVWLBPBY-UHFFFAOYSA-N -1 3 344.827 3.843 20 0 EHADHM Clc1cc(-c2nn[n-]n2)ccc1SCc1ccc2c(c1)COC2 ZINC000826350917 609311313 /nfs/dbraw/zinc/31/13/13/609311313.db2.gz QEMXQCAVWLBPBY-UHFFFAOYSA-N 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/nfs/dbraw/zinc/61/65/58/609616558.db2.gz PSGKYFUBBWDUSX-UHFFFAOYSA-N -1 3 349.177 3.531 20 0 EHADHM C[C@H](C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C1CC1 ZINC000819866102 945300262 /nfs/dbraw/zinc/30/02/62/945300262.db2.gz JBTBKWHMNVJSFG-LBPRGKRZSA-N -1 3 349.394 3.644 20 0 EHADHM C[C@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C1CC1 ZINC000819866102 945300271 /nfs/dbraw/zinc/30/02/71/945300271.db2.gz JBTBKWHMNVJSFG-LBPRGKRZSA-N -1 3 349.394 3.644 20 0 EHADHM CC(C)CC(C)(C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000820051912 945338752 /nfs/dbraw/zinc/33/87/52/945338752.db2.gz XQPLDGUENICBJP-UHFFFAOYSA-N -1 3 347.488 3.818 20 0 EHADHM CC(C)CC(C)(C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000820051912 945338760 /nfs/dbraw/zinc/33/87/60/945338760.db2.gz XQPLDGUENICBJP-UHFFFAOYSA-N -1 3 347.488 3.818 20 0 EHADHM O=C([O-])[C@@H](NCc1ccc(F)c(C(F)(F)F)c1)c1ccccc1 ZINC000321824357 970812739 /nfs/dbraw/zinc/81/27/39/970812739.db2.gz DTEUTUOJGMAHRG-AWEZNQCLSA-N -1 3 327.277 3.760 20 0 EHADHM C[C@H]1CCC[C@@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)C1 ZINC000736244766 944775835 /nfs/dbraw/zinc/77/58/35/944775835.db2.gz MZZIXQJMLVCCPT-WDEREUQCSA-N -1 3 345.472 3.572 20 0 EHADHM C[C@H]1CCC[C@@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C1 ZINC000736244766 944775842 /nfs/dbraw/zinc/77/58/42/944775842.db2.gz MZZIXQJMLVCCPT-WDEREUQCSA-N -1 3 345.472 3.572 20 0 EHADHM C[C@@H](Nc1ccc2ccc(F)cc2n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820460983 945457715 /nfs/dbraw/zinc/45/77/15/945457715.db2.gz DHKRHSGLRJPGJO-LLVKDONJSA-N -1 3 334.358 3.727 20 0 EHADHM C[C@@H](Nc1ccc2ccc(F)cc2n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820460983 945457719 /nfs/dbraw/zinc/45/77/19/945457719.db2.gz DHKRHSGLRJPGJO-LLVKDONJSA-N -1 3 334.358 3.727 20 0 EHADHM C/C=C(/C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825029038 947051105 /nfs/dbraw/zinc/05/11/05/947051105.db2.gz LWGBTXFOPONYOQ-YLIUPVCFSA-N -1 3 347.422 3.677 20 0 EHADHM C/C=C(/C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825029038 947051112 /nfs/dbraw/zinc/05/11/12/947051112.db2.gz LWGBTXFOPONYOQ-YLIUPVCFSA-N -1 3 347.422 3.677 20 0 EHADHM Cc1cccc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1F ZINC000826299531 947867208 /nfs/dbraw/zinc/86/72/08/947867208.db2.gz JPWFJLOURRHASD-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM Cc1cccc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1F ZINC000826299531 947867211 /nfs/dbraw/zinc/86/72/11/947867211.db2.gz JPWFJLOURRHASD-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM Cc1ccnc(N[C@H](C)c2ccc(F)c(Cl)c2)c1-c1nnn[n-]1 ZINC000826311919 947904322 /nfs/dbraw/zinc/90/43/22/947904322.db2.gz QTQKAVMJSAIEQZ-SECBINFHSA-N -1 3 332.770 3.536 20 0 EHADHM Cc1ccnc(N[C@H](C)c2ccc(F)c(Cl)c2)c1-c1nn[n-]n1 ZINC000826311919 947904326 /nfs/dbraw/zinc/90/43/26/947904326.db2.gz QTQKAVMJSAIEQZ-SECBINFHSA-N -1 3 332.770 3.536 20 0 EHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(Cl)c2occc21 ZINC001169581539 948489022 /nfs/dbraw/zinc/48/90/22/948489022.db2.gz RDDXIAUEJVTTEB-UHFFFAOYSA-N -1 3 339.742 3.519 20 0 EHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(Cl)c2occc21 ZINC001169581539 948489027 /nfs/dbraw/zinc/48/90/27/948489027.db2.gz RDDXIAUEJVTTEB-UHFFFAOYSA-N -1 3 339.742 3.519 20 0 EHADHM CC(C)[C@@H]1CN(Cc2cccc(F)c2-c2nnn[n-]2)c2ccccc21 ZINC001574100732 949200483 /nfs/dbraw/zinc/20/04/83/949200483.db2.gz YZPAFOHWSBRBPJ-HNNXBMFYSA-N -1 3 337.402 3.766 20 0 EHADHM CC(C)[C@@H]1CN(Cc2cccc(F)c2-c2nn[n-]n2)c2ccccc21 ZINC001574100732 949200505 /nfs/dbraw/zinc/20/05/05/949200505.db2.gz YZPAFOHWSBRBPJ-HNNXBMFYSA-N -1 3 337.402 3.766 20 0 EHADHM CC1=C(C)C[C@](C)(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001575861654 949329401 /nfs/dbraw/zinc/32/94/01/949329401.db2.gz USGAPPWFVRZTMY-QGZVFWFLSA-N -1 3 345.834 3.985 20 0 EHADHM CC1=C(C)C[C@](C)(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001575861654 949329425 /nfs/dbraw/zinc/32/94/25/949329425.db2.gz USGAPPWFVRZTMY-QGZVFWFLSA-N -1 3 345.834 3.985 20 0 EHADHM C[C@@H]1CCCC[C@H]1C(=O)Nc1cc2ccccc2cc1-c1nnn[n-]1 ZINC001576167279 949602891 /nfs/dbraw/zinc/60/28/91/949602891.db2.gz BZIZASVJEQEOGC-IUODEOHRSA-N -1 3 335.411 3.785 20 0 EHADHM C[C@@H]1CCCC[C@H]1C(=O)Nc1cc2ccccc2cc1-c1nn[n-]n1 ZINC001576167279 949602897 /nfs/dbraw/zinc/60/28/97/949602897.db2.gz BZIZASVJEQEOGC-IUODEOHRSA-N -1 3 335.411 3.785 20 0 EHADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001573855458 950377600 /nfs/dbraw/zinc/37/76/00/950377600.db2.gz USJHNUVOYXHMHJ-SWLSCSKDSA-N -1 3 339.443 3.755 20 0 EHADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001573855458 950377628 /nfs/dbraw/zinc/37/76/28/950377628.db2.gz USJHNUVOYXHMHJ-SWLSCSKDSA-N -1 3 339.443 3.755 20 0 EHADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(NCc2coc3ccccc23)n1 ZINC001573881916 950760360 /nfs/dbraw/zinc/76/03/60/950760360.db2.gz JLJHREXCFPPOIS-UHFFFAOYSA-N -1 3 348.410 3.918 20 0 EHADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(NCc2coc3ccccc23)n1 ZINC001573881916 950760376 /nfs/dbraw/zinc/76/03/76/950760376.db2.gz JLJHREXCFPPOIS-UHFFFAOYSA-N -1 3 348.410 3.918 20 0 EHADHM CC(C)CCCCCC(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001574195499 950990786 /nfs/dbraw/zinc/99/07/86/950990786.db2.gz QCFVTUFPMZNWFF-OAHLLOKOSA-N -1 3 343.475 3.993 20 0 EHADHM CC(C)CCCCCC(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001574195499 950990796 /nfs/dbraw/zinc/99/07/96/950990796.db2.gz QCFVTUFPMZNWFF-OAHLLOKOSA-N -1 3 343.475 3.993 20 0 EHADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)c2ccsc21)c1ccccc1 ZINC001575164392 952291925 /nfs/dbraw/zinc/29/19/25/952291925.db2.gz DTDKVLRLTYPROB-NSHDSACASA-N -1 3 336.424 3.692 20 0 EHADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)c2ccsc21)c1ccccc1 ZINC001575164392 952291932 /nfs/dbraw/zinc/29/19/32/952291932.db2.gz DTDKVLRLTYPROB-NSHDSACASA-N -1 3 336.424 3.692 20 0 EHADHM C[C@@H]1[C@H](Nc2ncc(C(=O)[O-])cc2Cl)CCN1Cc1ccccc1 ZINC000383497826 971872915 /nfs/dbraw/zinc/87/29/15/971872915.db2.gz XTRGDVKJJLXKRN-MLGOLLRUSA-N -1 3 345.830 3.508 20 0 EHADHM CC1(C(=O)[O-])CCN(Cc2ccc(Sc3ccccn3)o2)CC1 ZINC000647464413 953960189 /nfs/dbraw/zinc/96/01/89/953960189.db2.gz PIYBWPZJBIRTEQ-UHFFFAOYSA-N -1 3 332.425 3.513 20 0 EHADHM O=C([O-])C1CC2(C1)CC[C@@H](CNCc1c(Cl)oc3ccccc31)O2 ZINC001594906769 954684046 /nfs/dbraw/zinc/68/40/46/954684046.db2.gz ZNPFAUYHMUWWSE-LASWEOPPSA-N -1 3 349.814 3.588 20 0 EHADHM C[C@@H](NCc1ccc(C(=O)[O-])s1)c1ccc(NC(=O)C2CC2)cc1 ZINC000903674586 956855016 /nfs/dbraw/zinc/85/50/16/956855016.db2.gz KZIQFLVJXROXLZ-LLVKDONJSA-N -1 3 344.436 3.646 20 0 EHADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2ncc(-c3ccccc3F)o2)C1 ZINC000923469236 957117595 /nfs/dbraw/zinc/11/75/95/957117595.db2.gz AVCQZPTZJOXOCO-GOSISDBHSA-N -1 3 332.375 3.558 20 0 EHADHM Cc1cc(CN2CCC[C@H](C)[C@H]2C(=O)[O-])c(Br)cc1F ZINC001594303473 957931657 /nfs/dbraw/zinc/93/16/57/957931657.db2.gz RRQCOKRNRPTPFZ-XPTSAGLGSA-N -1 3 344.224 3.582 20 0 EHADHM COc1cc(CNCc2ccccc2C(=O)[O-])cc(C(F)(F)F)c1 ZINC001594058312 958060297 /nfs/dbraw/zinc/06/02/97/958060297.db2.gz KZPMWRAUAHOKKS-UHFFFAOYSA-N -1 3 339.313 3.702 20 0 EHADHM Cc1c(F)nccc1CN1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001594261941 959699393 /nfs/dbraw/zinc/69/93/93/959699393.db2.gz LMSJQBNMKKNWGJ-UHFFFAOYSA-N -1 3 328.387 3.607 20 0 EHADHM C[C@@H](c1ccc(Br)cc1)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000227829715 959970729 /nfs/dbraw/zinc/97/07/29/959970729.db2.gz QTRNPFNZDMGSFC-NHYWBVRUSA-N -1 3 326.234 3.697 20 0 EHADHM O=C([O-])C1(CCCCNCc2nc(-c3ccccc3)c[nH]2)CCC1 ZINC001335320055 961913310 /nfs/dbraw/zinc/91/33/10/961913310.db2.gz RYEHMMRMPPWESJ-UHFFFAOYSA-N -1 3 327.428 3.592 20 0 EHADHM O=C([O-])c1cnc(C2CCN([C@H]3CCc4c3cccc4F)CC2)s1 ZINC001348434664 962439846 /nfs/dbraw/zinc/43/98/46/962439846.db2.gz ACIJHJJYIKSTBT-HNNXBMFYSA-N -1 3 346.427 3.847 20 0 EHADHM COc1cc(CN(C)Cc2cccc(C(=O)[O-])c2)ccc1SC ZINC000263378489 962537418 /nfs/dbraw/zinc/53/74/18/962537418.db2.gz CIOZCOYHFMJOGV-UHFFFAOYSA-N -1 3 331.437 3.747 20 0 EHADHM O=C([O-])c1cccc(CNCc2ccc(OC3CCCC3)cc2)c1 ZINC000263398219 962558778 /nfs/dbraw/zinc/55/87/78/962558778.db2.gz HFYKRFSJDGZHMY-UHFFFAOYSA-N -1 3 325.408 3.996 20 0 EHADHM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000263342543 1125483603 /nfs/dbraw/zinc/48/36/03/1125483603.db2.gz NUBDUCCGQLXZNC-YPMHNXCESA-N -1 3 334.803 3.538 20 0 EHADHM C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000153417843 1125484531 /nfs/dbraw/zinc/48/45/31/1125484531.db2.gz CUBAAPGITNTIAC-HZMBPMFUSA-N -1 3 344.798 3.892 20 0 EHADHM CC(C)c1nn(Cc2ccccc2)c(Cl)c1CNCCCC(=O)[O-] ZINC000813355079 969180203 /nfs/dbraw/zinc/18/02/03/969180203.db2.gz XVHKENMPRZUYNC-UHFFFAOYSA-N -1 3 349.862 3.663 20 0 EHADHM O=C([O-])[C@H](NCc1cc(F)cc(C(F)(F)F)c1)c1cccs1 ZINC000426798928 974049601 /nfs/dbraw/zinc/04/96/01/974049601.db2.gz GSUGUZQRIBVTNM-GFCCVEGCSA-N -1 3 333.306 3.822 20 0 EHADHM CCOC[C@H]1CCCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000521446888 974344664 /nfs/dbraw/zinc/34/46/64/974344664.db2.gz QPMLQZSQBZVPJZ-NHYWBVRUSA-N -1 3 346.254 3.868 20 0 EHADHM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1cccc(Br)c1 ZINC000530180367 974364820 /nfs/dbraw/zinc/36/48/20/974364820.db2.gz YHHGYIGTOISSJI-GHMZBOCLSA-N -1 3 326.234 3.523 20 0 EHADHM O=C([O-])[C@@H]1CN(Cc2c(F)cccc2Cl)C[C@@H]1c1ccccc1 ZINC000566368096 974612076 /nfs/dbraw/zinc/61/20/76/974612076.db2.gz RFIAYNQGAXBPAI-ZIAGYGMSSA-N -1 3 333.790 3.779 20 0 EHADHM C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000568059209 974654992 /nfs/dbraw/zinc/65/49/92/974654992.db2.gz ZUIXGHDFOGCJDN-PIGZYNQJSA-N -1 3 349.818 3.638 20 0 EHADHM C[C@H](c1ccc(C(=O)[O-])o1)N(C)Cc1ccc(OC(F)F)cc1 ZINC000573855844 974772039 /nfs/dbraw/zinc/77/20/39/974772039.db2.gz ZALIJFAIIFTEJQ-SNVBAGLBSA-N -1 3 325.311 3.772 20 0 EHADHM CCO[C@@H]1C[C@H](N(C)Cc2cc(C(=O)[O-])c(C)o2)C12CCCCC2 ZINC000575875483 974803425 /nfs/dbraw/zinc/80/34/25/974803425.db2.gz HASZBQYYMIZBIN-DLBZAZTESA-N -1 3 335.444 3.846 20 0 EHADHM CC1(C)CN(Cc2ccsc2C(=O)[O-])C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000576405290 974814550 /nfs/dbraw/zinc/81/45/50/974814550.db2.gz IXDVABLOGPIEFU-IAISJRAMSA-N -1 3 335.469 3.616 20 0 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O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)c1cc([O-])ccc1Cl ZINC000377796213 1018381506 /nfs/dbraw/zinc/38/15/06/1018381506.db2.gz MEYWRMVMUDZZQC-SJORKVTESA-N -1 3 331.799 3.696 20 0 EHADHM CCOc1cc(CN2CCO[C@@H](c3ccco3)C2)cc(Cl)c1[O-] ZINC000340578320 1018566792 /nfs/dbraw/zinc/56/67/92/1018566792.db2.gz ZLHAEDJUYOSUGN-MRXNPFEDSA-N -1 3 337.803 3.611 20 0 EHADHM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1cccc2ccccc21 ZINC000070879170 1018568647 /nfs/dbraw/zinc/56/86/47/1018568647.db2.gz FHCQWJSWZVDAAD-UHFFFAOYSA-N -1 3 345.395 3.800 20 0 EHADHM COC(C)(C)c1nsc([N-]C(=O)c2cscc2C(F)F)n1 ZINC000893139762 1018607649 /nfs/dbraw/zinc/60/76/49/1018607649.db2.gz ILHJTZNTXNTUDD-UHFFFAOYSA-N -1 3 333.385 3.671 20 0 EHADHM CCCOc1ccc(/C=C\C(=O)Nc2cccc([O-])c2F)cc1OC ZINC000255180595 1018791515 /nfs/dbraw/zinc/79/15/15/1018791515.db2.gz DNBLNSHUOPLTDG-NTMALXAHSA-N -1 3 345.370 3.981 20 0 EHADHM CC(=O)Nc1ccc(/C=C\C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000255331227 1018946948 /nfs/dbraw/zinc/94/69/48/1018946948.db2.gz BKWFZRQIXIHBTE-WTKPLQERSA-N -1 3 330.771 3.656 20 0 EHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(F)(F)F)c2)cc1 ZINC000010514280 1019047732 /nfs/dbraw/zinc/04/77/32/1019047732.db2.gz QCLRUQQXLWPVPQ-UHFFFAOYSA-N -1 3 345.342 3.823 20 0 EHADHM CCc1ccc(-c2ccc(C(=O)[N-]c3nnc(OC)s3)o2)cc1 ZINC000683903995 1019173670 /nfs/dbraw/zinc/17/36/70/1019173670.db2.gz GXRKPJYBZHVTHC-UHFFFAOYSA-N -1 3 329.381 3.621 20 0 EHADHM CN(C(=O)NCc1ccc([O-])c(F)c1)[C@@H]1CCCc2ccccc21 ZINC000606719787 1032819750 /nfs/dbraw/zinc/81/97/50/1032819750.db2.gz JENDMAVZLAHXQR-QGZVFWFLSA-N -1 3 328.387 3.750 20 0 EHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](COC)CC(C)(C)C)nc2)n1 ZINC000656220505 1019384616 /nfs/dbraw/zinc/38/46/16/1019384616.db2.gz QZUXIEMZZXZYHY-OAHLLOKOSA-N -1 3 344.459 3.670 20 0 EHADHM Cc1ccc2ncc(C(=O)[O-])c(N3CCC(OC4CCC4)CC3)c2c1 ZINC000580556115 1019633110 /nfs/dbraw/zinc/63/31/10/1019633110.db2.gz DQSDNTQIWYWLNB-UHFFFAOYSA-N -1 3 340.423 3.779 20 0 EHADHM CN(C)Cc1cc(NCc2c(F)ccc([O-])c2F)ccc1Cl ZINC000513479533 1019731323 /nfs/dbraw/zinc/73/13/23/1019731323.db2.gz NKEMUMKYYWWEAV-UHFFFAOYSA-N -1 3 326.774 3.998 20 0 EHADHM Cc1cccc([O-])c1C(=O)N(C)Cc1ccc(Br)cc1 ZINC000706642403 1019776562 /nfs/dbraw/zinc/77/65/62/1019776562.db2.gz ZCOWJIVMISVVFP-UHFFFAOYSA-N -1 3 334.213 3.735 20 0 EHADHM C[C@@H]1CC[C@@H](C)N1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000122984264 1019808853 /nfs/dbraw/zinc/80/88/53/1019808853.db2.gz XQUYMXBMEOYESU-GHMZBOCLSA-N -1 3 329.425 3.617 20 0 EHADHM [O-]c1ccc(Br)cc1/C=N/CCc1ccc2c(c1)OCO2 ZINC000061163615 1020206974 /nfs/dbraw/zinc/20/69/74/1020206974.db2.gz DNCBLOKLMLIVRT-GIJQJNRQSA-N -1 3 348.196 3.545 20 0 EHADHM CC[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1c(C)noc1C ZINC000345809805 1020519813 /nfs/dbraw/zinc/51/98/13/1020519813.db2.gz KJIZONMOVJMWDB-HNNXBMFYSA-N -1 3 334.391 3.726 20 0 EHADHM Cc1cc(NC([O-])=NO[C@@H]2CCCCO2)ccc1OCC(F)(F)F ZINC000156074572 1020570625 /nfs/dbraw/zinc/57/06/25/1020570625.db2.gz YZOZTTLSLFGSNW-CYBMUJFWSA-N -1 3 348.321 3.516 20 0 EHADHM Cc1cc(NC(=O)[N-]O[C@@H]2CCCCO2)ccc1OCC(F)(F)F ZINC000156074572 1020570638 /nfs/dbraw/zinc/57/06/38/1020570638.db2.gz YZOZTTLSLFGSNW-CYBMUJFWSA-N -1 3 348.321 3.516 20 0 EHADHM Cc1ccc([O-])c(NC(=O)c2ccc(Sc3ccccn3)cc2)n1 ZINC000345930361 1020619532 /nfs/dbraw/zinc/61/95/32/1020619532.db2.gz PNZXSZYOSCFKCS-UHFFFAOYSA-N -1 3 337.404 3.894 20 0 EHADHM O=c1cc(CSCc2ccc(-n3ccnc3)cc2)nc(C2CC2)[n-]1 ZINC000419460797 1020652261 /nfs/dbraw/zinc/65/22/61/1020652261.db2.gz GMFNINCMFWHGAM-UHFFFAOYSA-N -1 3 338.436 3.679 20 0 EHADHM Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC000048379564 1020714828 /nfs/dbraw/zinc/71/48/28/1020714828.db2.gz VVGWTIMNEZXCAD-UHFFFAOYSA-N -1 3 340.423 3.535 20 0 EHADHM CCc1cccc(C(=O)N(Cc2ccco2)Cc2ccco2)c1[O-] ZINC000093928259 1032925143 /nfs/dbraw/zinc/92/51/43/1032925143.db2.gz SSJQRWRNBQVTEQ-UHFFFAOYSA-N -1 3 325.364 3.983 20 0 EHADHM CCOc1cccc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000124026472 1020863340 /nfs/dbraw/zinc/86/33/40/1020863340.db2.gz YGZLLASTVAIELT-UHFFFAOYSA-N -1 3 339.435 3.886 20 0 EHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@H]2CCC[C@H](C)C2)[nH][n-]1 ZINC000439159890 1021183918 /nfs/dbraw/zinc/18/39/18/1021183918.db2.gz KDHODSBCEABFSS-RYUDHWBXSA-N -1 3 347.846 3.925 20 0 EHADHM Cc1ccc(C(=O)N2CCCc3c([nH]c4c3cccc4F)C2)c([O-])c1 ZINC000436780708 1021212043 /nfs/dbraw/zinc/21/20/43/1021212043.db2.gz FZCSPVDHNNMOND-UHFFFAOYSA-N -1 3 338.382 3.910 20 0 EHADHM Cc1ccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c([O-])c1 ZINC000436815428 1021244917 /nfs/dbraw/zinc/24/49/17/1021244917.db2.gz VXVPBRGRACJNPU-WBVHZDCISA-N -1 3 349.789 3.753 20 0 EHADHM CCc1ccc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)c([O-])c1 ZINC000436841321 1021287944 /nfs/dbraw/zinc/28/79/44/1021287944.db2.gz YUWYJCPRZKHVLB-QMMMGPOBSA-N -1 3 344.358 3.921 20 0 EHADHM O=C([O-])[C@@H]1CCN(Cc2cc(-c3cccs3)on2)[C@@H]2CCCC[C@H]12 ZINC000656763774 1021295447 /nfs/dbraw/zinc/29/54/47/1021295447.db2.gz HWCILASOISFTCG-RBSFLKMASA-N -1 3 346.452 3.868 20 0 EHADHM CC(=O)c1ccc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1[O-] ZINC000436858529 1021296791 /nfs/dbraw/zinc/29/67/91/1021296791.db2.gz GGWOKUPWYRQSBJ-UHFFFAOYSA-N -1 3 349.390 3.650 20 0 EHADHM CC(=O)c1ccc(C(=O)Nc2ccc3nc(C)sc3c2)cc1[O-] ZINC000436859371 1021298327 /nfs/dbraw/zinc/29/83/27/1021298327.db2.gz KFADBGWWHJWTLH-UHFFFAOYSA-N -1 3 326.377 3.765 20 0 EHADHM CCc1ccc(-c2nc(-c3ccc(OCC(F)F)nc3)no2)c([O-])c1 ZINC000436868934 1021309070 /nfs/dbraw/zinc/30/90/70/1021309070.db2.gz JNWFREDXPASYQC-UHFFFAOYSA-N -1 3 347.321 3.711 20 0 EHADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(Cl)cs1 ZINC000760462002 1032970632 /nfs/dbraw/zinc/97/06/32/1032970632.db2.gz LYXVUUXHWFKCAB-UHFFFAOYSA-N -1 3 346.633 3.800 20 0 EHADHM CCOCc1ccccc1-c1noc(-c2cccc(OC)c2[O-])n1 ZINC000436907117 1021352471 /nfs/dbraw/zinc/35/24/71/1021352471.db2.gz DLGVUYLWNUPUOF-UHFFFAOYSA-N -1 3 326.352 3.654 20 0 EHADHM [O-]c1ccccc1-c1nc(-c2cnc(Oc3ccccc3)cn2)no1 ZINC000436951171 1021393894 /nfs/dbraw/zinc/39/38/94/1021393894.db2.gz DUUQHJQJULLPAJ-UHFFFAOYSA-N -1 3 332.319 3.692 20 0 EHADHM CC1(c2cccc(Cl)c2)CCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000436935614 1021399326 /nfs/dbraw/zinc/39/93/26/1021399326.db2.gz WQZIHTATDPOXOH-UHFFFAOYSA-N -1 3 345.826 3.945 20 0 EHADHM COc1cccc(-c2nc([C@H](OC)c3cccc(Cl)c3)no2)c1[O-] ZINC000436937274 1021399468 /nfs/dbraw/zinc/39/94/68/1021399468.db2.gz FDURINCWROTTGR-OAHLLOKOSA-N -1 3 346.770 3.840 20 0 EHADHM O=C(Nc1nc(CC(F)(F)F)cs1)c1cc([O-])ccc1Cl ZINC000341306319 1021405678 /nfs/dbraw/zinc/40/56/78/1021405678.db2.gz IPBAFCCHOFVRGY-UHFFFAOYSA-N -1 3 336.722 3.859 20 0 EHADHM O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)c1ccc(O)cc1[O-] ZINC000436955960 1021421529 /nfs/dbraw/zinc/42/15/29/1021421529.db2.gz OCUMOXHJZDTSHD-AWEZNQCLSA-N -1 3 339.313 3.564 20 0 EHADHM CCCCOc1ccc(C(=O)N[C@H](C)c2nc(C)cs2)c([O-])c1 ZINC000436971451 1021427618 /nfs/dbraw/zinc/42/76/18/1021427618.db2.gz JSKQWRDKIIUTAT-GFCCVEGCSA-N -1 3 334.441 3.827 20 0 EHADHM CCCCOc1ccc(C(=O)NCc2nc(C3CC3)cs2)c([O-])c1 ZINC000436978551 1021435206 /nfs/dbraw/zinc/43/52/06/1021435206.db2.gz IKAGLFNKJUXGKT-UHFFFAOYSA-N -1 3 346.452 3.835 20 0 EHADHM CCCCOc1ccc(C(=O)N2CCS[C@H](C(C)C)C2)c([O-])c1 ZINC000436991112 1021446610 /nfs/dbraw/zinc/44/66/10/1021446610.db2.gz XKYYZCWTGCKIMO-KRWDZBQOSA-N -1 3 337.485 3.785 20 0 EHADHM CCCCOc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)c([O-])c1 ZINC000436993240 1021448773 /nfs/dbraw/zinc/44/87/73/1021448773.db2.gz ZXXOUBYCTYAKNY-RISCZKNCSA-N -1 3 345.361 3.984 20 0 EHADHM Cn1nc2ccccc2c1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000436995185 1021450960 /nfs/dbraw/zinc/45/09/60/1021450960.db2.gz ACBOEYXFRAEJPH-UHFFFAOYSA-N -1 3 335.285 3.550 20 0 EHADHM Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2ccc(C)cc2[O-])cc1 ZINC000440670166 1021699592 /nfs/dbraw/zinc/69/95/92/1021699592.db2.gz NDSUXZYNZSQCFD-PXNSSMCTSA-N -1 3 339.435 3.907 20 0 EHADHM Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)cc1C ZINC000127287890 1021732701 /nfs/dbraw/zinc/73/27/01/1021732701.db2.gz TWMXOLUARZFOKR-UHFFFAOYSA-N -1 3 348.443 3.844 20 0 EHADHM CC(C)(C)c1ncc(C(=O)[N-]c2nnc(-c3ccco3)s2)s1 ZINC000140572123 1033005094 /nfs/dbraw/zinc/00/50/94/1033005094.db2.gz GMNJMFCCXJFFID-UHFFFAOYSA-N -1 3 334.426 3.804 20 0 EHADHM CCc1nnc(-c2ccc(NC(=O)c3ccc(CC)cc3[O-])cc2)o1 ZINC000188121055 1021831781 /nfs/dbraw/zinc/83/17/81/1021831781.db2.gz LBDDQSKZXCZGLH-UHFFFAOYSA-N -1 3 337.379 3.819 20 0 EHADHM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000440988011 1021923263 /nfs/dbraw/zinc/92/32/63/1021923263.db2.gz LIQFQKNRJMLITD-QMTHXVAHSA-N -1 3 331.334 3.945 20 0 EHADHM Cc1ccc(-c2nc(CCNCc3c(F)ccc([O-])c3F)co2)cc1 ZINC000510470425 1021952537 /nfs/dbraw/zinc/95/25/37/1021952537.db2.gz BKHVEGNYYHLXBG-UHFFFAOYSA-N -1 3 344.361 3.966 20 0 EHADHM C[C@@H](NC(=O)N=c1cc2ccccn2[n-]1)c1cc2cccc(F)c2o1 ZINC000520270614 1022074333 /nfs/dbraw/zinc/07/43/33/1022074333.db2.gz CEONIPIPPFQXKN-LLVKDONJSA-N -1 3 338.342 3.524 20 0 EHADHM O=C([O-])C[C@@H](CNCc1coc(-c2ccccc2)n1)c1ccccc1 ZINC000426630815 1022086632 /nfs/dbraw/zinc/08/66/32/1022086632.db2.gz VVCMHYYZHFAYJO-KRWDZBQOSA-N -1 3 336.391 3.690 20 0 EHADHM O=C(c1cc([O-])c2ccccc2c1)N1Cc2cc(F)c(F)cc2C1 ZINC001143401806 1022099869 /nfs/dbraw/zinc/09/98/69/1022099869.db2.gz XXWKMSYBBBRHJJ-UHFFFAOYSA-N -1 3 325.314 3.980 20 0 EHADHM C[C@H](CC(=O)NCc1ncccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000473639251 1022302172 /nfs/dbraw/zinc/30/21/72/1022302172.db2.gz PLJDBRJGCYZIJX-LLVKDONJSA-N -1 3 338.329 3.616 20 0 EHADHM COC(=O)c1c([N-]C(=O)c2cc(C3CC3)no2)sc2c1CCCC2 ZINC000440448506 1022328159 /nfs/dbraw/zinc/32/81/59/1022328159.db2.gz PVKHQHMUCHXUBA-UHFFFAOYSA-N -1 3 346.408 3.531 20 0 EHADHM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2cc(F)ccc2Cl)s1 ZINC000303882117 1022609010 /nfs/dbraw/zinc/60/90/10/1022609010.db2.gz YOXWUGQOHINVRT-VIFPVBQESA-N -1 3 347.864 3.759 20 0 EHADHM C[C@@H](NC(=O)NCc1ncccc1[O-])c1cc2ccccc2s1 ZINC000471857912 1022613176 /nfs/dbraw/zinc/61/31/76/1022613176.db2.gz PZTYQTCRLVHAIO-LLVKDONJSA-N -1 3 327.409 3.562 20 0 EHADHM CN(C[C@@H]1CCCCO1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000101651973 1022620133 /nfs/dbraw/zinc/62/01/33/1022620133.db2.gz RGGVBNBGLQMSEP-SFHVURJKSA-N -1 3 339.435 3.624 20 0 EHADHM CN(C[C@H]1CCCCO1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000101651976 1022620471 /nfs/dbraw/zinc/62/04/71/1022620471.db2.gz RGGVBNBGLQMSEP-GOSISDBHSA-N -1 3 339.435 3.624 20 0 EHADHM Cc1ccc(C(=O)Nc2ccc(NC3CCOCC3)cc2)c([O-])c1C ZINC000101682617 1022647267 /nfs/dbraw/zinc/64/72/67/1022647267.db2.gz MUZLFSOQVXTOMB-UHFFFAOYSA-N -1 3 340.423 3.852 20 0 EHADHM Cc1c(Cl)cccc1[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000331189701 1022766167 /nfs/dbraw/zinc/76/61/67/1022766167.db2.gz QDFDICYTOQBDFE-UHFFFAOYSA-N -1 3 342.848 3.876 20 0 EHADHM C/C(=C\c1ccccc1)CN(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000426142114 1022850360 /nfs/dbraw/zinc/85/03/60/1022850360.db2.gz UUIALYBHDRROFM-GXDHUFHOSA-N -1 3 328.387 3.776 20 0 EHADHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1cc2cccc(F)c2o1 ZINC000473833235 1022914670 /nfs/dbraw/zinc/91/46/70/1022914670.db2.gz XCBMSBOOVKDHIM-JTQLQIEISA-N -1 3 346.333 3.977 20 0 EHADHM O=C([O-])c1ccc(CNCc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000426684284 1022959954 /nfs/dbraw/zinc/95/99/54/1022959954.db2.gz YYXIYMZLOQOMNW-UHFFFAOYSA-N -1 3 327.277 3.833 20 0 EHADHM O=C([O-])[C@H](CNCc1c(F)cccc1F)Cc1ccc(Cl)cc1 ZINC000426689182 1022976333 /nfs/dbraw/zinc/97/63/33/1022976333.db2.gz YGWYYTAKSCJGOD-LBPRGKRZSA-N -1 3 339.769 3.651 20 0 EHADHM O=C([O-])[C@@H](NCc1cccc(-c2ccncc2)c1)c1cccc(F)c1 ZINC000426761945 1023031317 /nfs/dbraw/zinc/03/13/17/1023031317.db2.gz FTLRMFVXOJXPPR-IBGZPJMESA-N -1 3 336.366 3.803 20 0 EHADHM CCCSC[C@@H](NCc1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000426811563 1023061418 /nfs/dbraw/zinc/06/14/18/1023061418.db2.gz NHFPNDPXPZQRDG-GFCCVEGCSA-N -1 3 339.354 3.531 20 0 EHADHM O=C([O-])C[C@H](NCc1ccsc1)c1cccc(Br)c1 ZINC000426821666 1023066922 /nfs/dbraw/zinc/06/69/22/1023066922.db2.gz VTNZAGDSYUCNBV-ZDUSSCGKSA-N -1 3 340.242 3.816 20 0 EHADHM CC(C)[C@@H](C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cccc(Cl)c1 ZINC000473851200 1023070403 /nfs/dbraw/zinc/07/04/03/1023070403.db2.gz QNLIATGAKXRGJA-DOTOQJQBSA-N -1 3 347.846 3.715 20 0 EHADHM O=C([O-])C[C@H](NCc1ccc(F)c(F)c1)c1cccc(Cl)c1 ZINC000426826645 1023070672 /nfs/dbraw/zinc/07/06/72/1023070672.db2.gz FVUMQPWZQPCXBO-HNNXBMFYSA-N -1 3 325.742 3.924 20 0 EHADHM Cc1ccc(OCc2nc(CN[C@H](CC(=O)[O-])C(C)C)cs2)cc1 ZINC000426834115 1023081653 /nfs/dbraw/zinc/08/16/53/1023081653.db2.gz NOGYTGPZULFNCB-MRXNPFEDSA-N -1 3 348.468 3.619 20 0 EHADHM Cc1ccc(C(=O)NCC2CC2)cc1NCc1cc([O-])cc(F)c1 ZINC000190356657 1023195076 /nfs/dbraw/zinc/19/50/76/1023195076.db2.gz XUFRMGOCZPISAU-UHFFFAOYSA-N -1 3 328.387 3.592 20 0 EHADHM Cc1cccc2c(CCC(=O)N=c3cc(-c4ccccc4)[n-][nH]3)c[nH]c21 ZINC000439024952 1023216453 /nfs/dbraw/zinc/21/64/53/1023216453.db2.gz ZYUFRHIWKVEKTM-UHFFFAOYSA-N -1 3 344.418 3.860 20 0 EHADHM Cc1noc(C)c1[N-]C(=O)c1csc(Cc2ccc(C)cc2)n1 ZINC000507273793 1023227412 /nfs/dbraw/zinc/22/74/12/1023227412.db2.gz UPUUACSDWWFBOJ-UHFFFAOYSA-N -1 3 327.409 3.899 20 0 EHADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cccc(Nc2ccccc2)c1 ZINC000473854634 1023235515 /nfs/dbraw/zinc/23/55/15/1023235515.db2.gz YJDUDQDTAFWZIM-GOSISDBHSA-N -1 3 348.406 3.679 20 0 EHADHM CC(C)(C)c1csc(CCNCc2c(F)ccc([O-])c2F)n1 ZINC000510827038 1023241703 /nfs/dbraw/zinc/24/17/03/1023241703.db2.gz CDFLVUVEYUULCC-UHFFFAOYSA-N -1 3 326.412 3.757 20 0 EHADHM CC[C@](C)([N-]S(=O)(=O)c1ccc(C)c(Cl)c1)C(F)(F)F ZINC000548473815 1023424000 /nfs/dbraw/zinc/42/40/00/1023424000.db2.gz VAWKRVQUVCUEOP-NSHDSACASA-N -1 3 329.771 3.658 20 0 EHADHM COC(=O)c1ccc(-c2nc(-c3ccccc3C(F)(F)F)no2)[n-]1 ZINC000426410962 1023504246 /nfs/dbraw/zinc/50/42/46/1023504246.db2.gz KNIJJOUDMKTHMG-UHFFFAOYSA-N -1 3 337.257 3.537 20 0 EHADHM CN(Cc1cc(Cl)ccc1F)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000434340283 1023968329 /nfs/dbraw/zinc/96/83/29/1023968329.db2.gz DFHMMRJTERONLH-UHFFFAOYSA-N -1 3 344.773 3.593 20 0 EHADHM O=C1[N-]C(=O)/C(=C/c2nc(-c3ccccc3)cs2)c2ccccc21 ZINC000727975462 1024028183 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CCOc1ccc2[nH]c(S[C@H](C)c3nc(C)cc(=O)[n-]3)nc2c1 ZINC000487439415 1024522182 /nfs/dbraw/zinc/52/21/82/1024522182.db2.gz AYSHEUKROIPQNP-SNVBAGLBSA-N -1 3 330.413 3.619 20 0 EHADHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)c1nc(C(C)(C)C)cs1 ZINC000106893123 1024526954 /nfs/dbraw/zinc/52/69/54/1024526954.db2.gz SSSWVSPKBJBPLF-JTQLQIEISA-N -1 3 342.461 3.619 20 0 EHADHM COc1ccc([O-])c(C(=O)Nc2cc(C(F)(F)F)ccc2F)c1 ZINC000320770676 1024636004 /nfs/dbraw/zinc/63/60/04/1024636004.db2.gz TZOMECHQHLNESB-UHFFFAOYSA-N -1 3 329.249 3.811 20 0 EHADHM O=C(NCc1ccnc(OC2CCCC2)c1)c1cc([O-])ccc1Cl ZINC000277342149 1024702795 /nfs/dbraw/zinc/70/27/95/1024702795.db2.gz HDWFSYDORFUOKD-UHFFFAOYSA-N -1 3 346.814 3.692 20 0 EHADHM CO[C@@H]1CCC[C@H](CC(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000281407911 1025010947 /nfs/dbraw/zinc/01/09/47/1025010947.db2.gz ZXORJGXJTFHBDE-CMPLNLGQSA-N -1 3 342.233 3.689 20 0 EHADHM COc1ccc([C@H](CC(=O)[O-])NCc2cc(C)cc(C)c2)cc1OC ZINC000277472432 1025246527 /nfs/dbraw/zinc/24/65/27/1025246527.db2.gz WCWFVTIOIRDIST-KRWDZBQOSA-N -1 3 343.423 3.626 20 0 EHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCS[C@@H](C)C3)nc2)n1 ZINC000896246709 1025274782 /nfs/dbraw/zinc/27/47/82/1025274782.db2.gz QXJDJKTUBGLSFE-FZMZJTMJSA-N -1 3 330.457 3.503 20 0 EHADHM CN(C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)C1CCC(C)(C)CC1 ZINC000896346138 1025368722 /nfs/dbraw/zinc/36/87/22/1025368722.db2.gz IPIMUUCDYJPCEB-UHFFFAOYSA-N -1 3 348.393 3.847 20 0 EHADHM CCn1ccc(C[N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)n1 ZINC000843606712 1025404718 /nfs/dbraw/zinc/40/47/18/1025404718.db2.gz YJHPVDWNCPTISC-UHFFFAOYSA-N -1 3 348.180 3.618 20 0 EHADHM Cc1cccc(C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)c1[O-] ZINC000098109312 1025422323 /nfs/dbraw/zinc/42/23/23/1025422323.db2.gz ALJYSEGYQZXSMU-HNNXBMFYSA-N -1 3 341.407 3.901 20 0 EHADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)c(C)c1 ZINC000014254539 1025459439 /nfs/dbraw/zinc/45/94/39/1025459439.db2.gz MKRJKXPFIXFUFO-UHFFFAOYSA-N -1 3 340.242 3.867 20 0 EHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)c(C)c1 ZINC000515697103 1025503174 /nfs/dbraw/zinc/50/31/74/1025503174.db2.gz NOBKPFOCUFHTFR-UHFFFAOYSA-N -1 3 349.452 3.820 20 0 EHADHM Cc1sc(Br)c(C(=O)Nc2nc(C)ccc2[O-])c1C ZINC000442812343 1025508264 /nfs/dbraw/zinc/50/82/64/1025508264.db2.gz QQJFDHFWDIPJLE-UHFFFAOYSA-N -1 3 341.230 3.789 20 0 EHADHM Cc1ccc(C(=O)N(CCc2ccccc2)Cc2ccncc2)c([O-])c1 ZINC000102839237 1025550038 /nfs/dbraw/zinc/55/00/38/1025550038.db2.gz OMAFKTGTZLCTME-UHFFFAOYSA-N -1 3 346.430 3.981 20 0 EHADHM CO[C@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])[C@@H](C)C1 ZINC000442892970 1025574278 /nfs/dbraw/zinc/57/42/78/1025574278.db2.gz FZAGOVHSLRVMPL-YJBOKZPZSA-N -1 3 339.435 3.623 20 0 EHADHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC000515927516 1025759791 /nfs/dbraw/zinc/75/97/91/1025759791.db2.gz SZYBYPVNAYNJMX-IAQYHMDHSA-N -1 3 325.836 3.617 20 0 EHADHM CSc1cnn(-c2ccccc2)c1[N-]C(=O)c1ocnc1C1CC1 ZINC000342481526 1025785671 /nfs/dbraw/zinc/78/56/71/1025785671.db2.gz PCKLRFGECCXRJY-UHFFFAOYSA-N -1 3 340.408 3.712 20 0 EHADHM Cc1ccc(C(=O)Nc2ccc(O[C@H]3CCCC[C@@H]3O)cc2)c([O-])c1 ZINC000436488941 1025793192 /nfs/dbraw/zinc/79/31/92/1025793192.db2.gz FQRWECOTPKYRNP-HKUYNNGSSA-N -1 3 341.407 3.635 20 0 EHADHM CCCN(C(=O)c1ccccc1[O-])[C@H](C)CC(=O)Nc1ccccc1 ZINC000436519307 1025818232 /nfs/dbraw/zinc/81/82/32/1025818232.db2.gz WCIWLGDDERPNIY-OAHLLOKOSA-N -1 3 340.423 3.662 20 0 EHADHM O=C(c1ccc(O)cc1[O-])N(CCc1ccccc1)Cc1ccccc1 ZINC000436521101 1025824080 /nfs/dbraw/zinc/82/40/80/1025824080.db2.gz KUWNMKIBMJPHQO-UHFFFAOYSA-N -1 3 347.414 3.983 20 0 EHADHM CC(C)[C@@H](CCc1ccccc1)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000451327341 1025830554 /nfs/dbraw/zinc/83/05/54/1025830554.db2.gz GUFQJKFHODVPDT-SJLPKXTDSA-N -1 3 341.455 3.527 20 0 EHADHM C[C@@H]1CSCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436526099 1025832793 /nfs/dbraw/zinc/83/27/93/1025832793.db2.gz DIWNMACFSXVALN-OAHLLOKOSA-N -1 3 341.476 3.755 20 0 EHADHM COc1ccc(Cl)cc1CN(C)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000436529093 1025834229 /nfs/dbraw/zinc/83/42/29/1025834229.db2.gz JRAURSVEGQKLPQ-UHFFFAOYSA-N -1 3 347.798 3.529 20 0 EHADHM CC(=O)c1ccc(C(=O)NCCCSc2ccc(F)cc2)cc1[O-] ZINC000436531868 1025836726 /nfs/dbraw/zinc/83/67/26/1025836726.db2.gz QDDDFPLXAVHWFL-UHFFFAOYSA-N -1 3 347.411 3.646 20 0 EHADHM CC(=O)Nc1ccc(C)cc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436566735 1025894905 /nfs/dbraw/zinc/89/49/05/1025894905.db2.gz MGTJAMXDLJGSDO-UHFFFAOYSA-N -1 3 338.407 3.790 20 0 EHADHM O=C(NCCC(F)(F)F)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436571297 1025901567 /nfs/dbraw/zinc/90/15/67/1025901567.db2.gz CKIHONNASGZXBX-UHFFFAOYSA-N -1 3 325.286 3.867 20 0 EHADHM CCCN(CC(C)(C)O)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436572358 1025905411 /nfs/dbraw/zinc/90/54/11/1025905411.db2.gz FMPCMLOSMXGIQB-UHFFFAOYSA-N -1 3 341.451 3.606 20 0 EHADHM C[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])[C@H]1CCCOC1 ZINC000436579449 1025919723 /nfs/dbraw/zinc/91/97/23/1025919723.db2.gz UYIUCYVHHXMAJN-GJZGRUSLSA-N -1 3 341.407 3.729 20 0 EHADHM Cc1csc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000451412122 1025945114 /nfs/dbraw/zinc/94/51/14/1025945114.db2.gz FTIOPVQEJPVWMV-LBPRGKRZSA-N -1 3 349.399 3.681 20 0 EHADHM CC(C)c1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)c([O-])c1 ZINC000436628065 1025953985 /nfs/dbraw/zinc/95/39/85/1025953985.db2.gz WLBRMRCVGVUSBD-KRWDZBQOSA-N -1 3 342.439 3.676 20 0 EHADHM CC(=O)c1ccc(C(=O)NC[C@H](C)Sc2ccccc2)cc1[O-] ZINC000436656459 1025986493 /nfs/dbraw/zinc/98/64/93/1025986493.db2.gz QERBBYXMNOSGIE-LBPRGKRZSA-N -1 3 329.421 3.505 20 0 EHADHM CCCN1CCc2c(N)sc(Nc3cc(C)cc(C(=O)[O-])c3)c2C1 ZINC001211543095 1025994186 /nfs/dbraw/zinc/99/41/86/1025994186.db2.gz WSZDXSKSTQGRIH-UHFFFAOYSA-N -1 3 345.468 3.849 20 0 EHADHM Cc1ccc(C(=O)Nc2c[nH]nc2-c2ccccc2F)c([O-])c1C ZINC000436647990 1025997862 /nfs/dbraw/zinc/99/78/62/1025997862.db2.gz OIAPYGYPHKRHFF-UHFFFAOYSA-N -1 3 325.343 3.791 20 0 EHADHM CC(=O)c1ccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)cc1[O-] ZINC000436657243 1026016984 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Cc1cc(=O)[n-]c(C(C)(C)NCc2cc3nc(Cl)ccc3s2)n1 ZINC000877649020 1137684234 /nfs/dbraw/zinc/68/42/34/1137684234.db2.gz ZUUZJEDGAABMBI-UHFFFAOYSA-N -1 3 348.859 3.779 20 0 EHADHM CCc1cccc(CC)c1NC(=O)[C@@H](C)OC(=O)c1ccc([O-])cc1 ZINC000022475040 1137700724 /nfs/dbraw/zinc/70/07/24/1137700724.db2.gz PQMOUNPJXSWIRM-CYBMUJFWSA-N -1 3 341.407 3.701 20 0 EHADHM Cc1ccc2c(c1)N(Cc1nnc(-c3ccccc3[O-])o1)C[C@@H](C)O2 ZINC000878165255 1137705372 /nfs/dbraw/zinc/70/53/72/1137705372.db2.gz WYNOJSWUOQRRSS-CYBMUJFWSA-N -1 3 337.379 3.538 20 0 EHADHM CC[C@@H]1Cc2ccccc2CN1Cc1nnc(-c2ccccc2[O-])o1 ZINC000878439422 1137715994 /nfs/dbraw/zinc/71/59/94/1137715994.db2.gz OWYBCUMUVLTXSN-MRXNPFEDSA-N -1 3 335.407 3.779 20 0 EHADHM CCCCO[C@H]1C[C@@H](NCc2nnc(-c3ccccc3[O-])o2)C1(C)C ZINC000878600068 1137721661 /nfs/dbraw/zinc/72/16/61/1137721661.db2.gz ZWICKRPVWOMLCV-CVEARBPZSA-N -1 3 345.443 3.516 20 0 EHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC000881164590 1137802102 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EHADHM O=C(OCc1nnc(-c2ccccc2[O-])o1)/C(F)=C\C1CCCCC1 ZINC000884521549 1137962176 /nfs/dbraw/zinc/96/21/76/1137962176.db2.gz AAMIAFJKDOHDMK-GXDHUFHOSA-N -1 3 346.358 3.919 20 0 EHADHM CCC[C@@H](CC(C)C)C(=O)OCc1nnc(-c2ccccc2[O-])o1 ZINC000884540527 1137962556 /nfs/dbraw/zinc/96/25/56/1137962556.db2.gz GBWRFPYRUHXHSL-ZDUSSCGKSA-N -1 3 332.400 3.948 20 0 EHADHM Cc1cc(Br)oc1C(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000048748869 1138043310 /nfs/dbraw/zinc/04/33/10/1138043310.db2.gz RULZOFZICTUUCS-UHFFFAOYSA-N -1 3 344.234 3.752 20 0 EHADHM C[C@@H](CC1CCCCC1)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000074691529 1138123247 /nfs/dbraw/zinc/12/32/47/1138123247.db2.gz VHZZIGRWBGPRHI-ZDUSSCGKSA-N -1 3 338.473 3.603 20 0 EHADHM CCc1nc2ccccc2n1C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000089213585 1138195783 /nfs/dbraw/zinc/19/57/83/1138195783.db2.gz LQEAFQQQFMHETG-UHFFFAOYSA-N -1 3 349.434 3.782 20 0 EHADHM Cc1nnc(S[C@@H](C)c2nc(C)cc(=O)[n-]2)n1[C@H]1CCC[C@H](C)C1 ZINC000127341261 1138354145 /nfs/dbraw/zinc/35/41/45/1138354145.db2.gz HRMXEEAJGKBBSF-JKOKRWQUSA-N -1 3 347.488 3.995 20 0 EHADHM CC(=O)Nc1ccc(-c2nc3ccccc3c(=O)[n-]2)cc1C(F)(F)F ZINC000337668260 1138638957 /nfs/dbraw/zinc/63/89/57/1138638957.db2.gz RNLCATKTNHSYHY-UHFFFAOYSA-N -1 3 347.296 3.980 20 0 EHADHM C[C@H](O)C[C@@H]1CCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000179949609 1139795514 /nfs/dbraw/zinc/79/55/14/1139795514.db2.gz YCKQXYSGNSFWLX-GJZGRUSLSA-N -1 3 341.407 3.560 20 0 EHADHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2ccc(OCC3CC3)c(F)c2)n1 ZINC000181574753 1139917116 /nfs/dbraw/zinc/91/71/16/1139917116.db2.gz CXGKFYYYEPLITI-LBPRGKRZSA-N -1 3 345.418 3.523 20 0 EHADHM CCc1cc(=O)[n-]c(CN[C@H](C)c2ccc(OCC3CC3)c(F)c2)n1 ZINC000181574768 1139917395 /nfs/dbraw/zinc/91/73/95/1139917395.db2.gz CXGKFYYYEPLITI-GFCCVEGCSA-N -1 3 345.418 3.523 20 0 EHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@@H]3C=CCCC3)c2)n1 ZINC000186795049 1140222305 /nfs/dbraw/zinc/22/23/05/1140222305.db2.gz GDZLQQWXEIFBDH-CQSZACIVSA-N -1 3 337.423 3.684 20 0 EHADHM COc1ccc2oc([C@H](C)N[C@@H](C)c3nc(C)cc(=O)[n-]3)c(C)c2c1 ZINC000192781037 1140550352 /nfs/dbraw/zinc/55/03/52/1140550352.db2.gz CKXHERUDDWFNHK-STQMWFEESA-N -1 3 341.411 3.966 20 0 EHADHM Cc1cc(=O)[n-]c([C@H](C)Sc2ncccc2Br)n1 ZINC000268349223 1140923818 /nfs/dbraw/zinc/92/38/18/1140923818.db2.gz QPVMZIUGQURPHL-QMMMGPOBSA-N -1 3 326.219 3.501 20 0 EHADHM CC(C)(C)OC(=O)Nc1ccccc1[N-]S(=O)(=O)CCC1CC1 ZINC000273986449 1141457629 /nfs/dbraw/zinc/45/76/29/1141457629.db2.gz VYJRYPBBPCOMFT-UHFFFAOYSA-N -1 3 340.445 3.575 20 0 EHADHM Cc1cc(C)n(-c2ccc(CNCc3cccc([O-])c3Cl)cn2)n1 ZINC000339191707 1141523444 /nfs/dbraw/zinc/52/34/44/1141523444.db2.gz YIRHZTSVMTZOMU-UHFFFAOYSA-N -1 3 342.830 3.533 20 0 EHADHM CC(C)(C)n1ncnc1[N-]C(=O)c1cc(-c2ccccc2Cl)on1 ZINC000283068592 1141546505 /nfs/dbraw/zinc/54/65/05/1141546505.db2.gz QCXRVFFFEXQBDC-UHFFFAOYSA-N -1 3 345.790 3.594 20 0 EHADHM Cc1cccc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)c1 ZINC000348993964 1141619213 /nfs/dbraw/zinc/61/92/13/1141619213.db2.gz JAEOXGMHLZXZID-UHFFFAOYSA-N -1 3 333.160 3.800 20 0 EHADHM C[C@@H](CC1CCCC1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735984473 598904125 /nfs/dbraw/zinc/90/41/25/598904125.db2.gz DVAMELKGDMPUOP-LBPRGKRZSA-N -1 3 344.463 3.578 20 0 EHADHM C[C@@H](CC1CCCC1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735984473 598904127 /nfs/dbraw/zinc/90/41/27/598904127.db2.gz DVAMELKGDMPUOP-LBPRGKRZSA-N -1 3 344.463 3.578 20 0 EHADHM Cc1ccc([C@@H](C)N(C)c2ncc(-c3nnn[n-]3)cc2Cl)c(C)c1 ZINC000737320494 598938798 /nfs/dbraw/zinc/93/87/98/598938798.db2.gz LMGMOVUWVIMKTD-GFCCVEGCSA-N -1 3 342.834 3.729 20 0 EHADHM Cc1ccc([C@@H](C)N(C)c2ncc(-c3nn[n-]n3)cc2Cl)c(C)c1 ZINC000737320494 598938799 /nfs/dbraw/zinc/93/87/99/598938799.db2.gz LMGMOVUWVIMKTD-GFCCVEGCSA-N -1 3 342.834 3.729 20 0 EHADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C1CC=CC1 ZINC000738171173 598941856 /nfs/dbraw/zinc/94/18/56/598941856.db2.gz DRXMUNQTXRBSCA-UHFFFAOYSA-N -1 3 347.378 3.564 20 0 EHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C1CC=CC1 ZINC000738171173 598941857 /nfs/dbraw/zinc/94/18/57/598941857.db2.gz DRXMUNQTXRBSCA-UHFFFAOYSA-N -1 3 347.378 3.564 20 0 EHADHM C[C@@H]1CCC[C@H](CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000736254424 599045368 /nfs/dbraw/zinc/04/53/68/599045368.db2.gz ZICURPIMIGTSAM-ZJUUUORDSA-N -1 3 340.353 3.519 20 0 EHADHM C[C@@H]1CCC[C@H](CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000736254424 599045369 /nfs/dbraw/zinc/04/53/69/599045369.db2.gz ZICURPIMIGTSAM-ZJUUUORDSA-N -1 3 340.353 3.519 20 0 EHADHM Fc1cc(-c2nnn[n-]2)ccc1Sc1nc2ccccc2s1 ZINC000822748431 599058504 /nfs/dbraw/zinc/05/85/04/599058504.db2.gz YMQQEIJHUKZPRE-UHFFFAOYSA-N -1 3 329.385 3.767 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1Sc1nc2ccccc2s1 ZINC000822748431 599058506 /nfs/dbraw/zinc/05/85/06/599058506.db2.gz YMQQEIJHUKZPRE-UHFFFAOYSA-N -1 3 329.385 3.767 20 0 EHADHM C[C@@H](CNc1ccc(F)cc1-c1nnn[n-]1)Oc1ccccc1Cl ZINC000820281281 599064415 /nfs/dbraw/zinc/06/44/15/599064415.db2.gz UWIIXGAJSMWHJW-JTQLQIEISA-N -1 3 347.781 3.539 20 0 EHADHM C[C@@H](CNc1ccc(F)cc1-c1nn[n-]n1)Oc1ccccc1Cl ZINC000820281281 599064418 /nfs/dbraw/zinc/06/44/18/599064418.db2.gz UWIIXGAJSMWHJW-JTQLQIEISA-N -1 3 347.781 3.539 20 0 EHADHM CS[C@@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC000821951383 599073487 /nfs/dbraw/zinc/07/34/87/599073487.db2.gz XTDZHVVKPNAQIA-VHSXEESVSA-N -1 3 343.378 3.582 20 0 EHADHM CSCCCSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000821969660 599128239 /nfs/dbraw/zinc/12/82/39/599128239.db2.gz CRTLPNAADIHVJI-UHFFFAOYSA-N -1 3 343.481 3.774 20 0 EHADHM CSCCCSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000821969660 599128242 /nfs/dbraw/zinc/12/82/42/599128242.db2.gz CRTLPNAADIHVJI-UHFFFAOYSA-N -1 3 343.481 3.774 20 0 EHADHM COc1ccc(C=Cc2nc3cc(C)ccc3s2)cc1-c1nnn[n-]1 ZINC000737080874 599153188 /nfs/dbraw/zinc/15/31/88/599153188.db2.gz IFUKSRHFTRQIFU-VMPITWQZSA-N -1 3 349.419 3.964 20 0 EHADHM COc1ccc(C=Cc2nc3cc(C)ccc3s2)cc1-c1nn[n-]n1 ZINC000737080874 599153191 /nfs/dbraw/zinc/15/31/91/599153191.db2.gz IFUKSRHFTRQIFU-VMPITWQZSA-N -1 3 349.419 3.964 20 0 EHADHM C[C@@H](OC(=O)C[C@@H]1CCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000736147547 599153472 /nfs/dbraw/zinc/15/34/72/599153472.db2.gz CBMWQBQWHFMBBP-CJNGLKHVSA-N -1 3 348.406 3.591 20 0 EHADHM C[C@@H](OC(=O)C[C@@H]1CCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000736147547 599153473 /nfs/dbraw/zinc/15/34/73/599153473.db2.gz CBMWQBQWHFMBBP-CJNGLKHVSA-N -1 3 348.406 3.591 20 0 EHADHM c1cc(OC2CCCCC2)ccc1Nc1ccc(-c2nnn[n-]2)cn1 ZINC000738418381 599170128 /nfs/dbraw/zinc/17/01/28/599170128.db2.gz GFJAGPNDFDWEDF-UHFFFAOYSA-N -1 3 336.399 3.717 20 0 EHADHM c1cc(OC2CCCCC2)ccc1Nc1ccc(-c2nn[n-]n2)cn1 ZINC000738418381 599170130 /nfs/dbraw/zinc/17/01/30/599170130.db2.gz GFJAGPNDFDWEDF-UHFFFAOYSA-N -1 3 336.399 3.717 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000737290971 599187411 /nfs/dbraw/zinc/18/74/11/599187411.db2.gz ZLEJMZVXILXNEX-NSHDSACASA-N -1 3 341.802 3.571 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000737290971 599187414 /nfs/dbraw/zinc/18/74/14/599187414.db2.gz ZLEJMZVXILXNEX-NSHDSACASA-N -1 3 341.802 3.571 20 0 EHADHM CCCC[C@H](CC)CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736440019 599222038 /nfs/dbraw/zinc/22/20/38/599222038.db2.gz WZOXQXNCTRZZQG-KBPBESRZSA-N -1 3 329.448 3.650 20 0 EHADHM CCCC[C@H](CC)CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736440019 599222040 /nfs/dbraw/zinc/22/20/40/599222040.db2.gz WZOXQXNCTRZZQG-KBPBESRZSA-N -1 3 329.448 3.650 20 0 EHADHM Cc1c(NC(=O)C=Cc2ccc(Cl)s2)cccc1-c1nnn[n-]1 ZINC000822068009 607269717 /nfs/dbraw/zinc/26/97/17/607269717.db2.gz NHYKCYVRHWPCIJ-SOFGYWHQSA-N -1 3 345.815 3.542 20 0 EHADHM Cc1c(NC(=O)C=Cc2ccc(Cl)s2)cccc1-c1nn[n-]n1 ZINC000822068009 607269718 /nfs/dbraw/zinc/26/97/18/607269718.db2.gz NHYKCYVRHWPCIJ-SOFGYWHQSA-N -1 3 345.815 3.542 20 0 EHADHM Cc1c(NC(=O)N2CCC[C@H]2CCC(C)C)cccc1-c1nnn[n-]1 ZINC000822083885 607281200 /nfs/dbraw/zinc/28/12/00/607281200.db2.gz FATLHUTVCLLULX-AWEZNQCLSA-N -1 3 342.447 3.608 20 0 EHADHM Cc1c(NC(=O)N2CCC[C@H]2CCC(C)C)cccc1-c1nn[n-]n1 ZINC000822083885 607281201 /nfs/dbraw/zinc/28/12/01/607281201.db2.gz FATLHUTVCLLULX-AWEZNQCLSA-N -1 3 342.447 3.608 20 0 EHADHM Cc1c(NC(=O)N(C2CC2)C2CCCCC2)cccc1-c1nnn[n-]1 ZINC000822077497 607289742 /nfs/dbraw/zinc/28/97/42/607289742.db2.gz VVFYQDNKHNLADW-UHFFFAOYSA-N -1 3 340.431 3.504 20 0 EHADHM Cc1c(NC(=O)N(C2CC2)C2CCCCC2)cccc1-c1nn[n-]n1 ZINC000822077497 607289743 /nfs/dbraw/zinc/28/97/43/607289743.db2.gz VVFYQDNKHNLADW-UHFFFAOYSA-N -1 3 340.431 3.504 20 0 EHADHM Cc1c(NC(=O)C2(c3ccccc3)CCCC2)cccc1-c1nnn[n-]1 ZINC000822060020 607294019 /nfs/dbraw/zinc/29/40/19/607294019.db2.gz DYDKQNQGXUIOGD-UHFFFAOYSA-N -1 3 347.422 3.626 20 0 EHADHM Cc1c(NC(=O)C2(c3ccccc3)CCCC2)cccc1-c1nn[n-]n1 ZINC000822060020 607294020 /nfs/dbraw/zinc/29/40/20/607294020.db2.gz DYDKQNQGXUIOGD-UHFFFAOYSA-N -1 3 347.422 3.626 20 0 EHADHM Cc1c(NC(=O)[C@H](CC(C)C)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822059563 607294985 /nfs/dbraw/zinc/29/49/85/607294985.db2.gz CCABCZJMMXKQFJ-QGZVFWFLSA-N -1 3 349.438 3.944 20 0 EHADHM Cc1c(NC(=O)[C@H](CC(C)C)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822059563 607294986 /nfs/dbraw/zinc/29/49/86/607294986.db2.gz CCABCZJMMXKQFJ-QGZVFWFLSA-N -1 3 349.438 3.944 20 0 EHADHM CCCCOc1ccccc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000821077533 607311415 /nfs/dbraw/zinc/31/14/15/607311415.db2.gz KERGPASSGNUPKV-UHFFFAOYSA-N -1 3 329.429 3.719 20 0 EHADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)c1cccc(Cl)c1Cl ZINC000736139164 599267735 /nfs/dbraw/zinc/26/77/35/599267735.db2.gz UHSRJAKGFQKVTP-MRVPVSSYSA-N -1 3 335.198 3.742 20 0 EHADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)c1cccc(Cl)c1Cl ZINC000736139164 599267736 /nfs/dbraw/zinc/26/77/36/599267736.db2.gz UHSRJAKGFQKVTP-MRVPVSSYSA-N -1 3 335.198 3.742 20 0 EHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1ccc(F)c(F)c1 ZINC000735905225 599267858 /nfs/dbraw/zinc/26/78/58/599267858.db2.gz HJDXVNFRDPVUQZ-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1ccc(F)c(F)c1 ZINC000735905225 599267860 /nfs/dbraw/zinc/26/78/60/599267860.db2.gz HJDXVNFRDPVUQZ-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM C[C@H](Nc1cccc(Cl)c1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000820461106 599283587 /nfs/dbraw/zinc/28/35/87/599283587.db2.gz FIESCVZQLLLKED-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@H](Nc1cccc(Cl)c1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000820461106 599283589 /nfs/dbraw/zinc/28/35/89/599283589.db2.gz FIESCVZQLLLKED-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1cc(F)cc2cccnc21 ZINC000737221903 599283885 /nfs/dbraw/zinc/28/38/85/599283885.db2.gz RVRLDRMIMSHIMX-UHFFFAOYSA-N -1 3 349.369 3.750 20 0 EHADHM C[C@H](Sc1nccn1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736194074 599289325 /nfs/dbraw/zinc/28/93/25/599289325.db2.gz YKSDZMCMDORKKI-ZDUSSCGKSA-N -1 3 348.435 3.906 20 0 EHADHM C[C@H](Sc1nccn1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736194074 599289327 /nfs/dbraw/zinc/28/93/27/599289327.db2.gz YKSDZMCMDORKKI-ZDUSSCGKSA-N -1 3 348.435 3.906 20 0 EHADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)c1ccco1 ZINC000738183574 598231408 /nfs/dbraw/zinc/23/14/08/598231408.db2.gz JVBLYVSTUNTJLR-UHFFFAOYSA-N -1 3 347.334 3.504 20 0 EHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccco1 ZINC000738183574 598231410 /nfs/dbraw/zinc/23/14/10/598231410.db2.gz JVBLYVSTUNTJLR-UHFFFAOYSA-N -1 3 347.334 3.504 20 0 EHADHM Cc1cc(CNc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)no1 ZINC000737263222 598283194 /nfs/dbraw/zinc/28/31/94/598283194.db2.gz FPOYASLIWQKXIX-UHFFFAOYSA-N -1 3 348.366 3.568 20 0 EHADHM COc1ccc(Cl)cc1CSCc1cccc(-c2nnn[n-]2)c1 ZINC000737100343 598362530 /nfs/dbraw/zinc/36/25/30/598362530.db2.gz VJFMXABPSGZFMU-UHFFFAOYSA-N -1 3 346.843 3.962 20 0 EHADHM COc1ccc(Cl)cc1CSCc1cccc(-c2nn[n-]n2)c1 ZINC000737100343 598362531 /nfs/dbraw/zinc/36/25/31/598362531.db2.gz VJFMXABPSGZFMU-UHFFFAOYSA-N -1 3 346.843 3.962 20 0 EHADHM c1sc(-c2ccccc2)nc1CNc1cccc(-c2nnn[n-]2)c1 ZINC000738421708 598420855 /nfs/dbraw/zinc/42/08/55/598420855.db2.gz FCZMZPNPRYTXPM-UHFFFAOYSA-N -1 3 334.408 3.602 20 0 EHADHM c1sc(-c2ccccc2)nc1CNc1cccc(-c2nn[n-]n2)c1 ZINC000738421708 598420857 /nfs/dbraw/zinc/42/08/57/598420857.db2.gz FCZMZPNPRYTXPM-UHFFFAOYSA-N -1 3 334.408 3.602 20 0 EHADHM C[C@H]1C[C@H](CC(=O)Nc2sccc2-c2nnn[n-]2)CC(C)(C)C1 ZINC000736227633 598441129 /nfs/dbraw/zinc/44/11/29/598441129.db2.gz LZMXIZGLKVPJCX-WDEREUQCSA-N -1 3 333.461 3.719 20 0 EHADHM C[C@H]1C[C@H](CC(=O)Nc2sccc2-c2nn[n-]n2)CC(C)(C)C1 ZINC000736227633 598441130 /nfs/dbraw/zinc/44/11/30/598441130.db2.gz LZMXIZGLKVPJCX-WDEREUQCSA-N -1 3 333.461 3.719 20 0 EHADHM CCN(C(=O)C[C@@H](C)CC(C)C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502299 598494691 /nfs/dbraw/zinc/49/46/91/598494691.db2.gz LGWFLJIWSSDSHI-LSDHHAIUSA-N -1 3 343.475 3.849 20 0 EHADHM CCN(C(=O)C[C@@H](C)CC(C)C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502299 598494692 /nfs/dbraw/zinc/49/46/92/598494692.db2.gz LGWFLJIWSSDSHI-LSDHHAIUSA-N -1 3 343.475 3.849 20 0 EHADHM COc1ccc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000737094955 598571256 /nfs/dbraw/zinc/57/12/56/598571256.db2.gz DLSJMIXGBPETJR-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM COc1ccc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000737094955 598571258 /nfs/dbraw/zinc/57/12/58/598571258.db2.gz DLSJMIXGBPETJR-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N1CCC[C@@H]1c1cccs1 ZINC000737640624 598592749 /nfs/dbraw/zinc/59/27/49/598592749.db2.gz ZQEJUMUEAGNEDC-GFCCVEGCSA-N -1 3 333.367 3.548 20 0 EHADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N1CCC[C@@H]1c1cccs1 ZINC000737640624 598592751 /nfs/dbraw/zinc/59/27/51/598592751.db2.gz ZQEJUMUEAGNEDC-GFCCVEGCSA-N -1 3 333.367 3.548 20 0 EHADHM CCC[C@H]1CCCC[C@H]1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736438453 598607603 /nfs/dbraw/zinc/60/76/03/598607603.db2.gz ZXLXBJSDGFNTNQ-GXTWGEPZSA-N -1 3 344.488 3.512 20 0 EHADHM CCC[C@H]1CCCC[C@H]1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736438453 598607605 /nfs/dbraw/zinc/60/76/05/598607605.db2.gz ZXLXBJSDGFNTNQ-GXTWGEPZSA-N -1 3 344.488 3.512 20 0 EHADHM Fc1cccc2c1CC[C@H]2Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737662746 598658227 /nfs/dbraw/zinc/65/82/27/598658227.db2.gz DMKKMZZGOCEGCD-OAHLLOKOSA-N -1 3 329.766 3.759 20 0 EHADHM Fc1cccc2c1CC[C@H]2Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737662746 598658229 /nfs/dbraw/zinc/65/82/29/598658229.db2.gz DMKKMZZGOCEGCD-OAHLLOKOSA-N -1 3 329.766 3.759 20 0 EHADHM COc1ccc([C@H](C)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737076932 598666590 /nfs/dbraw/zinc/66/65/90/598666590.db2.gz UHQIUMPUGWBLRE-JTQLQIEISA-N -1 3 329.791 3.702 20 0 EHADHM COc1ccc([C@H](C)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737076932 598666592 /nfs/dbraw/zinc/66/65/92/598666592.db2.gz UHQIUMPUGWBLRE-JTQLQIEISA-N -1 3 329.791 3.702 20 0 EHADHM CSc1ccc(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000737189963 598722543 /nfs/dbraw/zinc/72/25/43/598722543.db2.gz IZEWJTLMRBNSBY-UHFFFAOYSA-N -1 3 348.435 3.500 20 0 EHADHM CSc1ccc(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737189963 598722544 /nfs/dbraw/zinc/72/25/44/598722544.db2.gz IZEWJTLMRBNSBY-UHFFFAOYSA-N -1 3 348.435 3.500 20 0 EHADHM CC(C)Sc1ccc([C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735921405 598755563 /nfs/dbraw/zinc/75/55/63/598755563.db2.gz RZILIGWYELUPLA-LBPRGKRZSA-N -1 3 340.456 3.935 20 0 EHADHM CC(C)Sc1ccc([C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735921405 598755565 /nfs/dbraw/zinc/75/55/65/598755565.db2.gz RZILIGWYELUPLA-LBPRGKRZSA-N -1 3 340.456 3.935 20 0 EHADHM C[C@@H](Nc1ccc(Cl)cc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000736138696 598794349 /nfs/dbraw/zinc/79/43/49/598794349.db2.gz ODUQOVLTNPNVQZ-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@@H](Nc1ccc(Cl)cc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000736138696 598794351 /nfs/dbraw/zinc/79/43/51/598794351.db2.gz ODUQOVLTNPNVQZ-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@@H](S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1nc(C2CC2)no1 ZINC000736187899 599326090 /nfs/dbraw/zinc/32/60/90/599326090.db2.gz CXIFTLAXSOIFBG-VHSXEESVSA-N -1 3 342.428 3.683 20 0 EHADHM C[C@@H](S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1nc(C2CC2)no1 ZINC000736187899 599326092 /nfs/dbraw/zinc/32/60/92/599326092.db2.gz CXIFTLAXSOIFBG-VHSXEESVSA-N -1 3 342.428 3.683 20 0 EHADHM C[C@H](N[C@H](c1ccco1)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820410808 599364599 /nfs/dbraw/zinc/36/45/99/599364599.db2.gz HAKQZVDKJNMDKJ-LIRRHRJNSA-N -1 3 345.406 3.900 20 0 EHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)c(Cl)c1 ZINC000737948159 599370653 /nfs/dbraw/zinc/37/06/53/599370653.db2.gz PPXGDMHKAOECPM-UHFFFAOYSA-N -1 3 348.790 3.634 20 0 EHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)c(Cl)c1 ZINC000737948159 599370655 /nfs/dbraw/zinc/37/06/55/599370655.db2.gz PPXGDMHKAOECPM-UHFFFAOYSA-N -1 3 348.790 3.634 20 0 EHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1Cl ZINC000736139843 599440184 /nfs/dbraw/zinc/44/01/84/599440184.db2.gz RFXGRQSJALEPCO-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM COc1ccc2ccccc2c1CNc1ccc(F)cc1-c1nnn[n-]1 ZINC000821854869 599469846 /nfs/dbraw/zinc/46/98/46/599469846.db2.gz YYZYTGHTXMIONC-UHFFFAOYSA-N -1 3 349.369 3.780 20 0 EHADHM COc1ccc2ccccc2c1CNc1ccc(F)cc1-c1nn[n-]n1 ZINC000821854869 599469849 /nfs/dbraw/zinc/46/98/49/599469849.db2.gz YYZYTGHTXMIONC-UHFFFAOYSA-N -1 3 349.369 3.780 20 0 EHADHM Fc1ccc(NCCCSc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000822778258 599470016 /nfs/dbraw/zinc/47/00/16/599470016.db2.gz GTOBKTCDDSIPOF-UHFFFAOYSA-N -1 3 329.404 3.600 20 0 EHADHM Fc1ccc(NCCCSc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000822778258 599470017 /nfs/dbraw/zinc/47/00/17/599470017.db2.gz GTOBKTCDDSIPOF-UHFFFAOYSA-N -1 3 329.404 3.600 20 0 EHADHM C[C@@H]1CCCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CC1 ZINC000820710000 599502233 /nfs/dbraw/zinc/50/22/33/599502233.db2.gz NCEDLJFQFHHZRD-LLVKDONJSA-N -1 3 342.834 3.695 20 0 EHADHM C[C@@H]1CCCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CC1 ZINC000820710000 599502236 /nfs/dbraw/zinc/50/22/36/599502236.db2.gz NCEDLJFQFHHZRD-LLVKDONJSA-N -1 3 342.834 3.695 20 0 EHADHM CCC[C@@H](C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000821008795 599502253 /nfs/dbraw/zinc/50/22/53/599502253.db2.gz LONZHFJLZWTPLE-KBXCAEBGSA-N -1 3 349.438 3.628 20 0 EHADHM CCC[C@@H](C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000821008795 599502257 /nfs/dbraw/zinc/50/22/57/599502257.db2.gz LONZHFJLZWTPLE-KBXCAEBGSA-N -1 3 349.438 3.628 20 0 EHADHM C[C@@H](NC(=O)CCCC1CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321739 599513549 /nfs/dbraw/zinc/51/35/49/599513549.db2.gz MAVSLAVCHRHJLO-CQSZACIVSA-N -1 3 341.459 3.795 20 0 EHADHM C[C@@H](NC(=O)CCCC1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321739 599513550 /nfs/dbraw/zinc/51/35/50/599513550.db2.gz MAVSLAVCHRHJLO-CQSZACIVSA-N -1 3 341.459 3.795 20 0 EHADHM CCCCC[C@H](C)CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821050394 599517398 /nfs/dbraw/zinc/51/73/98/599517398.db2.gz RMAYWJQQXZLJNI-KBPBESRZSA-N -1 3 329.448 3.650 20 0 EHADHM CCCCC[C@H](C)CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821050394 599517399 /nfs/dbraw/zinc/51/73/99/599517399.db2.gz RMAYWJQQXZLJNI-KBPBESRZSA-N -1 3 329.448 3.650 20 0 EHADHM CC[C@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1F ZINC000736371847 599528293 /nfs/dbraw/zinc/52/82/93/599528293.db2.gz YGGZPXVFCWEWQR-AWEZNQCLSA-N -1 3 333.317 3.847 20 0 EHADHM Cc1ccccc1[C@@H](C)CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822344808 599540886 /nfs/dbraw/zinc/54/08/86/599540886.db2.gz AJYDURRYLRHDOX-GJZGRUSLSA-N -1 3 349.438 3.546 20 0 EHADHM Cc1ccccc1[C@@H](C)CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822344808 599540889 /nfs/dbraw/zinc/54/08/89/599540889.db2.gz AJYDURRYLRHDOX-GJZGRUSLSA-N -1 3 349.438 3.546 20 0 EHADHM CC[C@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1F ZINC000736370736 599598306 /nfs/dbraw/zinc/59/83/06/599598306.db2.gz OKJFJQHMKDEDJV-INIZCTEOSA-N -1 3 347.344 3.525 20 0 EHADHM O=C([O-])[C@@H](NCc1ccc(F)c(Br)c1)c1ccccc1 ZINC000050508441 599786403 /nfs/dbraw/zinc/78/64/03/599786403.db2.gz JWNZGENTARWTOF-AWEZNQCLSA-N -1 3 338.176 3.504 20 0 EHADHM O=C([O-])[C@H](NCc1cccc(F)c1)c1ccccc1C(F)(F)F ZINC000739501307 599792154 /nfs/dbraw/zinc/79/21/54/599792154.db2.gz WGKUWOPSLUEUPC-CQSZACIVSA-N -1 3 327.277 3.760 20 0 EHADHM COc1ccc(OC)c([C@@H]2CCCN2Cc2ccc(C(=O)[O-])cc2)c1 ZINC000738049829 599996630 /nfs/dbraw/zinc/99/66/30/599996630.db2.gz SQCFHHPHJOTORB-SFHVURJKSA-N -1 3 341.407 3.739 20 0 EHADHM Cc1nc(C2CCN(Cc3ccc(F)cc3C(=O)[O-])CC2)sc1C ZINC000738849385 600092966 /nfs/dbraw/zinc/09/29/66/600092966.db2.gz BVROEKSQHNMYGW-UHFFFAOYSA-N -1 3 348.443 3.977 20 0 EHADHM Cc1cc(CN2CCC(c3nc4ccccc4[nH]3)CC2)oc1C(=O)[O-] ZINC000738383708 600313113 /nfs/dbraw/zinc/31/31/13/600313113.db2.gz XPLOKVSFJRNPQZ-UHFFFAOYSA-N -1 3 339.395 3.542 20 0 EHADHM Cc1cc2cc(C(=O)N(C)c3ccc(-c4nnn[n-]4)cc3)oc2cc1C ZINC000826272772 607440846 /nfs/dbraw/zinc/44/08/46/607440846.db2.gz AJQLNDSMQOETSN-UHFFFAOYSA-N -1 3 347.378 3.506 20 0 EHADHM Cc1cc2cc(C(=O)N(C)c3ccc(-c4nn[n-]n4)cc3)oc2cc1C ZINC000826272772 607440847 /nfs/dbraw/zinc/44/08/47/607440847.db2.gz AJQLNDSMQOETSN-UHFFFAOYSA-N -1 3 347.378 3.506 20 0 EHADHM CCCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1OC ZINC000277460293 600422164 /nfs/dbraw/zinc/42/21/64/600422164.db2.gz VNEWSHBQFOVNSZ-SFHVURJKSA-N -1 3 347.386 3.539 20 0 EHADHM O=C([O-])[C@H](NCc1ccccc1C(F)(F)F)c1ccc(F)cc1 ZINC000739504521 600430636 /nfs/dbraw/zinc/43/06/36/600430636.db2.gz KLAFMTFJOILIPY-CQSZACIVSA-N -1 3 327.277 3.760 20 0 EHADHM C[C@@H](c1cccc(O)c1)N(C)CCOc1ccc(C(=O)[O-])cc1Cl ZINC000827940944 601006374 /nfs/dbraw/zinc/00/63/74/601006374.db2.gz JGPMOADHVQUFEN-LBPRGKRZSA-N -1 3 349.814 3.816 20 0 EHADHM CCCOc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000821133876 607488447 /nfs/dbraw/zinc/48/84/47/607488447.db2.gz ISNORYNRFHCUNM-UHFFFAOYSA-N -1 3 341.390 3.715 20 0 EHADHM CCCOc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000821133876 607488448 /nfs/dbraw/zinc/48/84/48/607488448.db2.gz ISNORYNRFHCUNM-UHFFFAOYSA-N -1 3 341.390 3.715 20 0 EHADHM Cc1ccc(Nc2nc(CN[C@@](C)(C(=O)[O-])C3CC3)cs2)cc1 ZINC000832950516 601174180 /nfs/dbraw/zinc/17/41/80/601174180.db2.gz MQMJFIYSJYLERS-QGZVFWFLSA-N -1 3 331.441 3.538 20 0 EHADHM CN(C)c1cccc([C@H]2CCCN2Cc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000830643826 601640520 /nfs/dbraw/zinc/64/05/20/601640520.db2.gz MTJFKCXVIXORRW-LJQANCHMSA-N -1 3 342.414 3.927 20 0 EHADHM C[C@]1(C(=O)[O-])CCN(Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000263148763 601921437 /nfs/dbraw/zinc/92/14/37/601921437.db2.gz NMASNUKDSPQOOG-INIZCTEOSA-N -1 3 336.844 3.760 20 0 EHADHM O=C([O-])c1ccc(CN(Cc2ccccc2)C[C@@H]2CCCO2)s1 ZINC000575130164 601943903 /nfs/dbraw/zinc/94/39/03/601943903.db2.gz MFKLZMBZSYVTLU-HNNXBMFYSA-N -1 3 331.437 3.628 20 0 EHADHM Cc1cc([C@@H](C)N2CCC([C@@H](O)c3ccccc3)CC2)oc1C(=O)[O-] ZINC000832870272 604382047 /nfs/dbraw/zinc/38/20/47/604382047.db2.gz GBDVIZAIHGCZAV-KDOFPFPSSA-N -1 3 343.423 3.793 20 0 EHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)[C@H](c1ccccc1)C(C)C ZINC000826243883 607689625 /nfs/dbraw/zinc/68/96/25/607689625.db2.gz ZJWORHFOZWOXAI-SFHVURJKSA-N -1 3 349.438 3.644 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)[C@H](c1ccccc1)C(C)C ZINC000826243883 607689626 /nfs/dbraw/zinc/68/96/26/607689626.db2.gz ZJWORHFOZWOXAI-SFHVURJKSA-N -1 3 349.438 3.644 20 0 EHADHM CC(C)(C)n1cc(CN[C@H](c2ccccc2)C(C)(C)C(=O)[O-])cn1 ZINC000826105741 604628621 /nfs/dbraw/zinc/62/86/21/604628621.db2.gz HWLNAICTUGGDFF-MRXNPFEDSA-N -1 3 329.444 3.580 20 0 EHADHM COc1c(Cl)cc(Cl)cc1CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000833726604 604650266 /nfs/dbraw/zinc/65/02/66/604650266.db2.gz FGNZFXJBLQCLIO-LBPRGKRZSA-N -1 3 344.238 3.689 20 0 EHADHM C[C@@]1(NCc2csc(Cc3ccccc3)n2)CCCC[C@@H]1C(=O)[O-] ZINC000833567966 604814982 /nfs/dbraw/zinc/81/49/82/604814982.db2.gz BRXKPYXQOLPOPM-VQIMIIECSA-N -1 3 344.480 3.857 20 0 EHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000652498613 604946930 /nfs/dbraw/zinc/94/69/30/604946930.db2.gz NVPRGSWESCWAFZ-AWEZNQCLSA-N -1 3 346.402 3.804 20 0 EHADHM CCc1ccc([C@@H](C)NCc2cc(C(=O)[O-])cc(C(=O)OC)c2)cc1 ZINC000833671497 605061804 /nfs/dbraw/zinc/06/18/04/605061804.db2.gz ZXERQCDVJXXLOB-CYBMUJFWSA-N -1 3 341.407 3.585 20 0 EHADHM C[C@@H](C[C@@H](O)c1cccs1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824391747 607732865 /nfs/dbraw/zinc/73/28/65/607732865.db2.gz KDALYEFGYBUUAQ-TVQRCGJNSA-N -1 3 349.847 3.506 20 0 EHADHM C[C@@H](C[C@@H](O)c1cccs1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824391747 607732867 /nfs/dbraw/zinc/73/28/67/607732867.db2.gz KDALYEFGYBUUAQ-TVQRCGJNSA-N -1 3 349.847 3.506 20 0 EHADHM CCc1oc(C(=O)[O-])cc1CN[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000833681298 605138136 /nfs/dbraw/zinc/13/81/36/605138136.db2.gz XBJOOTZPUJGSOA-ZDUSSCGKSA-N -1 3 339.395 3.577 20 0 EHADHM CCc1nc(C)c([C@@H](C)N(C)CCOc2ccccc2C(=O)[O-])s1 ZINC000183936924 605210024 /nfs/dbraw/zinc/21/00/24/605210024.db2.gz QXKKJYHOYPBYCK-CYBMUJFWSA-N -1 3 348.468 3.784 20 0 EHADHM C/C(=C/CN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1)C(=O)[O-] ZINC000833386596 605269372 /nfs/dbraw/zinc/26/93/72/605269372.db2.gz YNVFZTWQNWVSSK-GQPJMJRUSA-N -1 3 330.815 3.639 20 0 EHADHM O=C([O-])c1ccc(F)c(CN[C@@H](c2ccccc2)C2CCOCC2)c1 ZINC000833780807 605845037 /nfs/dbraw/zinc/84/50/37/605845037.db2.gz FNTNPDXJRRBARC-IBGZPJMESA-N -1 3 343.398 3.781 20 0 EHADHM C[C@@H]1C[C@@H]1c1ccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)o1 ZINC000820675137 606049329 /nfs/dbraw/zinc/04/93/29/606049329.db2.gz HZBVUDUMUZTVFA-RISCZKNCSA-N -1 3 346.394 3.743 20 0 EHADHM C[C@@H]1C[C@@H]1c1ccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)o1 ZINC000820675137 606049335 /nfs/dbraw/zinc/04/93/35/606049335.db2.gz HZBVUDUMUZTVFA-RISCZKNCSA-N -1 3 346.394 3.743 20 0 EHADHM CC1(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)CCC1 ZINC000820577087 606125905 /nfs/dbraw/zinc/12/59/05/606125905.db2.gz JMGROMWZHNUGFU-UHFFFAOYSA-N -1 3 345.472 3.716 20 0 EHADHM CC1(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)CCC1 ZINC000820577087 606125906 /nfs/dbraw/zinc/12/59/06/606125906.db2.gz JMGROMWZHNUGFU-UHFFFAOYSA-N -1 3 345.472 3.716 20 0 EHADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)c1ncc(-c2ccccc2)o1 ZINC000820536545 606181942 /nfs/dbraw/zinc/18/19/42/606181942.db2.gz VRLODSUPKRGRBQ-GFCCVEGCSA-N -1 3 333.351 3.662 20 0 EHADHM Clc1cccc(Cl)c1CNCc1cc(-c2nnn[n-]2)cs1 ZINC000822585666 606216223 /nfs/dbraw/zinc/21/62/23/606216223.db2.gz JWZYFSHLFUCZRB-UHFFFAOYSA-N -1 3 340.239 3.525 20 0 EHADHM Clc1cccc(Cl)c1CNCc1cc(-c2nn[n-]n2)cs1 ZINC000822585666 606216224 /nfs/dbraw/zinc/21/62/24/606216224.db2.gz JWZYFSHLFUCZRB-UHFFFAOYSA-N -1 3 340.239 3.525 20 0 EHADHM C[C@H](OC(=O)c1cccc(F)c1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820511697 606346669 /nfs/dbraw/zinc/34/66/69/606346669.db2.gz AYODKVXLKUDBKX-VIFPVBQESA-N -1 3 346.749 3.577 20 0 EHADHM C[C@H](OC(=O)c1cccc(F)c1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820511697 606346670 /nfs/dbraw/zinc/34/66/70/606346670.db2.gz AYODKVXLKUDBKX-VIFPVBQESA-N -1 3 346.749 3.577 20 0 EHADHM C[C@@H](OC(=O)c1ccc(C(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512673 606347859 /nfs/dbraw/zinc/34/78/59/606347859.db2.gz MWNJBDHXLFWVHE-SNVBAGLBSA-N -1 3 344.321 3.722 20 0 EHADHM C[C@@H](OC(=O)c1ccc(C(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512673 606347861 /nfs/dbraw/zinc/34/78/61/606347861.db2.gz MWNJBDHXLFWVHE-SNVBAGLBSA-N -1 3 344.321 3.722 20 0 EHADHM Cc1cccc([C@@H](C)C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822288867 606360727 /nfs/dbraw/zinc/36/07/27/606360727.db2.gz LOGYCQHMYXQVED-KGLIPLIRSA-N -1 3 336.395 3.583 20 0 EHADHM Cc1cccc([C@@H](C)C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822288867 606360729 /nfs/dbraw/zinc/36/07/29/606360729.db2.gz LOGYCQHMYXQVED-KGLIPLIRSA-N -1 3 336.395 3.583 20 0 EHADHM CCCC[C@@H](CCC)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821044448 606383990 /nfs/dbraw/zinc/38/39/90/606383990.db2.gz ZXBPFPXYXGKOMN-CZUORRHYSA-N -1 3 344.463 3.586 20 0 EHADHM CCCC[C@@H](CCC)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821044448 606383992 /nfs/dbraw/zinc/38/39/92/606383992.db2.gz ZXBPFPXYXGKOMN-CZUORRHYSA-N -1 3 344.463 3.586 20 0 EHADHM CC(C)(C)OCc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000819950886 606473393 /nfs/dbraw/zinc/47/33/93/606473393.db2.gz NXQLANQCXBSZCL-UHFFFAOYSA-N -1 3 343.456 3.855 20 0 EHADHM CC(C)(C)OCc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000819950886 606473395 /nfs/dbraw/zinc/47/33/95/606473395.db2.gz NXQLANQCXBSZCL-UHFFFAOYSA-N -1 3 343.456 3.855 20 0 EHADHM CC(C)c1ccccc1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820197490 606663498 /nfs/dbraw/zinc/66/34/98/606663498.db2.gz JZYSJMJOANEFFZ-UHFFFAOYSA-N -1 3 343.337 3.521 20 0 EHADHM CC(C)c1ccccc1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820197490 606663499 /nfs/dbraw/zinc/66/34/99/606663499.db2.gz JZYSJMJOANEFFZ-UHFFFAOYSA-N -1 3 343.337 3.521 20 0 EHADHM Clc1ccc(-c2nnn[n-]2)c(Oc2nc3ccccc3s2)c1 ZINC000822573561 606790264 /nfs/dbraw/zinc/79/02/64/606790264.db2.gz AROCBWVWXFAJOG-UHFFFAOYSA-N -1 3 329.772 3.922 20 0 EHADHM Clc1ccc(-c2nn[n-]n2)c(Oc2nc3ccccc3s2)c1 ZINC000822573561 606790265 /nfs/dbraw/zinc/79/02/65/606790265.db2.gz AROCBWVWXFAJOG-UHFFFAOYSA-N -1 3 329.772 3.922 20 0 EHADHM CCN(C(=O)C(F)=C1CCCC1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149430 606833119 /nfs/dbraw/zinc/83/31/19/606833119.db2.gz YLHPAJFHNTWMSO-GFCCVEGCSA-N -1 3 343.406 3.574 20 0 EHADHM CCN(C(=O)C(F)=C1CCCC1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149430 606833121 /nfs/dbraw/zinc/83/31/21/606833121.db2.gz YLHPAJFHNTWMSO-GFCCVEGCSA-N -1 3 343.406 3.574 20 0 EHADHM Cc1nc(C)c(CSc2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000822432149 606853582 /nfs/dbraw/zinc/85/35/82/606853582.db2.gz YUZXGWXHQKLZGM-UHFFFAOYSA-N -1 3 337.861 3.886 20 0 EHADHM Cc1nc(C)c(CSc2ccc(-c3nnn[n-]3)cc2Cl)s1 ZINC000822432149 606853581 /nfs/dbraw/zinc/85/35/81/606853581.db2.gz YUZXGWXHQKLZGM-UHFFFAOYSA-N -1 3 337.861 3.886 20 0 EHADHM CCC[C@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821040450 606905780 /nfs/dbraw/zinc/90/57/80/606905780.db2.gz LVWFRZZMECRKMH-NSHDSACASA-N -1 3 348.838 3.564 20 0 EHADHM CCC[C@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821040450 606905781 /nfs/dbraw/zinc/90/57/81/606905781.db2.gz LVWFRZZMECRKMH-NSHDSACASA-N -1 3 348.838 3.564 20 0 EHADHM Fc1ccc(CNc2cccc(C(F)(F)F)c2)cc1-c1nnn[n-]1 ZINC000822772171 606926477 /nfs/dbraw/zinc/92/64/77/606926477.db2.gz RUULISQAVXBUCN-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Fc1ccc(CNc2cccc(C(F)(F)F)c2)cc1-c1nn[n-]n1 ZINC000822772171 606926479 /nfs/dbraw/zinc/92/64/79/606926479.db2.gz RUULISQAVXBUCN-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Fc1ccc(CSc2ccc3ccccc3n2)cc1-c1nnn[n-]1 ZINC000822775327 607005508 /nfs/dbraw/zinc/00/55/08/607005508.db2.gz WDGCRMKXXRTEKY-UHFFFAOYSA-N -1 3 337.383 3.846 20 0 EHADHM Fc1ccc(CSc2ccc3ccccc3n2)cc1-c1nn[n-]n1 ZINC000822775327 607005510 /nfs/dbraw/zinc/00/55/10/607005510.db2.gz WDGCRMKXXRTEKY-UHFFFAOYSA-N -1 3 337.383 3.846 20 0 EHADHM C[C@H]1CC[C@H](CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)C1 ZINC000820684571 607052240 /nfs/dbraw/zinc/05/22/40/607052240.db2.gz RIQVMAWXUVFZOS-QWRGUYRKSA-N -1 3 345.472 3.572 20 0 EHADHM C[C@H]1CC[C@H](CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C1 ZINC000820684571 607052242 /nfs/dbraw/zinc/05/22/42/607052242.db2.gz RIQVMAWXUVFZOS-QWRGUYRKSA-N -1 3 345.472 3.572 20 0 EHADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1Cl ZINC000820428439 607056950 /nfs/dbraw/zinc/05/69/50/607056950.db2.gz XFQSVJZUZDAYTP-SECBINFHSA-N -1 3 349.772 3.649 20 0 EHADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1Cl ZINC000820428439 607056952 /nfs/dbraw/zinc/05/69/52/607056952.db2.gz XFQSVJZUZDAYTP-SECBINFHSA-N -1 3 349.772 3.649 20 0 EHADHM CCCC1(C(=O)Nc2sc(C)c(CC)c2-c2nnn[n-]2)CCC1 ZINC000821026867 607088891 /nfs/dbraw/zinc/08/88/91/607088891.db2.gz FMDCTWDRGHHELQ-UHFFFAOYSA-N -1 3 333.461 3.708 20 0 EHADHM CCCC1(C(=O)Nc2sc(C)c(CC)c2-c2nn[n-]n2)CCC1 ZINC000821026867 607088892 /nfs/dbraw/zinc/08/88/92/607088892.db2.gz FMDCTWDRGHHELQ-UHFFFAOYSA-N -1 3 333.461 3.708 20 0 EHADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C1=CCCC1 ZINC000823350668 607158894 /nfs/dbraw/zinc/15/88/94/607158894.db2.gz WHSLWAOZJGTTSB-UHFFFAOYSA-N -1 3 347.378 3.708 20 0 EHADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C1=CCCC1 ZINC000823350668 607158895 /nfs/dbraw/zinc/15/88/95/607158895.db2.gz WHSLWAOZJGTTSB-UHFFFAOYSA-N -1 3 347.378 3.708 20 0 EHADHM O=C(NCCC1=CCCCC1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823183565 607202846 /nfs/dbraw/zinc/20/28/46/607202846.db2.gz ZNSBTTHDKJGKQR-UHFFFAOYSA-N -1 3 346.822 3.532 20 0 EHADHM O=C(NCCC1=CCCCC1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823183565 607202847 /nfs/dbraw/zinc/20/28/47/607202847.db2.gz ZNSBTTHDKJGKQR-UHFFFAOYSA-N -1 3 346.822 3.532 20 0 EHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1sccc1C1CC1 ZINC000823318695 607242595 /nfs/dbraw/zinc/24/25/95/607242595.db2.gz HZHWETRWHHWFLX-UHFFFAOYSA-N -1 3 345.815 3.711 20 0 EHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1sccc1C1CC1 ZINC000823318695 607242596 /nfs/dbraw/zinc/24/25/96/607242596.db2.gz HZHWETRWHHWFLX-UHFFFAOYSA-N -1 3 345.815 3.711 20 0 EHADHM CCN(C(=O)C1CCCCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367404 607798147 /nfs/dbraw/zinc/79/81/47/607798147.db2.gz PFWYMIBMUKEFHO-UHFFFAOYSA-N -1 3 327.432 3.580 20 0 EHADHM CCN(C(=O)C1CCCCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367404 607798148 /nfs/dbraw/zinc/79/81/48/607798148.db2.gz PFWYMIBMUKEFHO-UHFFFAOYSA-N -1 3 327.432 3.580 20 0 EHADHM CCCCc1ccc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825296308 607799527 /nfs/dbraw/zinc/79/95/27/607799527.db2.gz CURLSCLSKVBYKQ-UHFFFAOYSA-N -1 3 349.438 3.876 20 0 EHADHM CCCCc1ccc(C(=O)N(CC)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825296308 607799528 /nfs/dbraw/zinc/79/95/28/607799528.db2.gz CURLSCLSKVBYKQ-UHFFFAOYSA-N -1 3 349.438 3.876 20 0 EHADHM CC(C)n1ccnc1CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824377580 607844447 /nfs/dbraw/zinc/84/44/47/607844447.db2.gz HTSTTYWXHJJBGO-UHFFFAOYSA-N -1 3 334.836 3.590 20 0 EHADHM CC(C)n1ccnc1CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824377580 607844448 /nfs/dbraw/zinc/84/44/48/607844448.db2.gz HTSTTYWXHJJBGO-UHFFFAOYSA-N -1 3 334.836 3.590 20 0 EHADHM Cc1sc(NC(=O)c2cccc(C)c2Cl)c(-c2nnn[n-]2)c1C ZINC000826296276 607861456 /nfs/dbraw/zinc/86/14/56/607861456.db2.gz PSSWPBRIUPUCOG-UHFFFAOYSA-N -1 3 347.831 3.759 20 0 EHADHM Cc1sc(NC(=O)c2cccc(C)c2Cl)c(-c2nn[n-]n2)c1C ZINC000826296276 607861457 /nfs/dbraw/zinc/86/14/57/607861457.db2.gz PSSWPBRIUPUCOG-UHFFFAOYSA-N -1 3 347.831 3.759 20 0 EHADHM c1csc(-c2cccc(NCc3ccccc3-c3nnn[n-]3)c2)n1 ZINC000826517290 607910878 /nfs/dbraw/zinc/91/08/78/607910878.db2.gz XPOLTASQTHQHRP-UHFFFAOYSA-N -1 3 334.408 3.602 20 0 EHADHM c1csc(-c2cccc(NCc3ccccc3-c3nn[n-]n3)c2)n1 ZINC000826517290 607910879 /nfs/dbraw/zinc/91/08/79/607910879.db2.gz XPOLTASQTHQHRP-UHFFFAOYSA-N -1 3 334.408 3.602 20 0 EHADHM CC(=Cc1ccccc1Cl)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000823942516 607921085 /nfs/dbraw/zinc/92/10/85/607921085.db2.gz FACZAPBYRDOTMD-CMDGGOBGSA-N -1 3 345.815 3.624 20 0 EHADHM CC(=Cc1ccccc1Cl)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000823942516 607921086 /nfs/dbraw/zinc/92/10/86/607921086.db2.gz FACZAPBYRDOTMD-CMDGGOBGSA-N -1 3 345.815 3.624 20 0 EHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2CCCC(C)(C)C2)s1 ZINC000825694506 607925275 /nfs/dbraw/zinc/92/52/75/607925275.db2.gz RGNJUXDYKGXLDB-SNVBAGLBSA-N -1 3 333.461 3.646 20 0 EHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2CCCC(C)(C)C2)s1 ZINC000825694506 607925276 /nfs/dbraw/zinc/92/52/76/607925276.db2.gz RGNJUXDYKGXLDB-SNVBAGLBSA-N -1 3 333.461 3.646 20 0 EHADHM CN(C(=O)[C@H]1CCCC(C)(C)C1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825812783 607927346 /nfs/dbraw/zinc/92/73/46/607927346.db2.gz UERPHUGWRZNIDB-NSHDSACASA-N -1 3 347.850 3.699 20 0 EHADHM CN(C(=O)[C@H]1CCCC(C)(C)C1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825812783 607927345 /nfs/dbraw/zinc/92/73/45/607927345.db2.gz UERPHUGWRZNIDB-NSHDSACASA-N -1 3 347.850 3.699 20 0 EHADHM Cc1[nH]c2c(cc(C)cc2CNc2nc(C)ccc2-c2nnn[n-]2)c1C ZINC000826266909 608278232 /nfs/dbraw/zinc/27/82/32/608278232.db2.gz HQHRQXATBOBLQX-UHFFFAOYSA-N -1 3 347.426 3.589 20 0 EHADHM Cc1[nH]c2c(cc(C)cc2CNc2nc(C)ccc2-c2nn[n-]n2)c1C ZINC000826266909 608278233 /nfs/dbraw/zinc/27/82/33/608278233.db2.gz HQHRQXATBOBLQX-UHFFFAOYSA-N -1 3 347.426 3.589 20 0 EHADHM Fc1ccc2c(c1)CCC[C@@H]2Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000826375911 608306928 /nfs/dbraw/zinc/30/69/28/608306928.db2.gz GWKSDMFYBXEPIG-AWEZNQCLSA-N -1 3 344.781 3.544 20 0 EHADHM Fc1ccc2c(c1)CCC[C@@H]2Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000826375911 608306929 /nfs/dbraw/zinc/30/69/29/608306929.db2.gz GWKSDMFYBXEPIG-AWEZNQCLSA-N -1 3 344.781 3.544 20 0 EHADHM Fc1c(CSc2ccnc3ccccc32)cccc1-c1nnn[n-]1 ZINC000826370907 608397602 /nfs/dbraw/zinc/39/76/02/608397602.db2.gz LDQHIPKMOQSXEL-UHFFFAOYSA-N -1 3 337.383 3.846 20 0 EHADHM Fc1c(CSc2ccnc3ccccc32)cccc1-c1nn[n-]n1 ZINC000826370907 608397603 /nfs/dbraw/zinc/39/76/03/608397603.db2.gz LDQHIPKMOQSXEL-UHFFFAOYSA-N -1 3 337.383 3.846 20 0 EHADHM C[C@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1Cl ZINC000826232208 608429802 /nfs/dbraw/zinc/42/98/02/608429802.db2.gz CCYWTZCVRCBRCJ-JTQLQIEISA-N -1 3 331.782 3.510 20 0 EHADHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1Cl ZINC000826232208 608429804 /nfs/dbraw/zinc/42/98/04/608429804.db2.gz CCYWTZCVRCBRCJ-JTQLQIEISA-N -1 3 331.782 3.510 20 0 EHADHM CCCCc1nc(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000825296635 608464022 /nfs/dbraw/zinc/46/40/22/608464022.db2.gz RBZMFYNVJOCBNV-GFCCVEGCSA-N -1 3 342.472 3.517 20 0 EHADHM C[C@H](NCc1c(F)cccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000824605831 608489601 /nfs/dbraw/zinc/48/96/01/608489601.db2.gz METGZNZITVUYDU-JTQLQIEISA-N -1 3 331.782 3.510 20 0 EHADHM CC[C@H]1c2ccsc2CCN1Cc1cccc(-c2nnn[n-]2)c1F ZINC000825220657 608644152 /nfs/dbraw/zinc/64/41/52/608644152.db2.gz WEMWCHYMCWLINP-AWEZNQCLSA-N -1 3 343.431 3.577 20 0 EHADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000826323451 608745927 /nfs/dbraw/zinc/74/59/27/608745927.db2.gz FCCLIPUJGHHXIZ-LLVKDONJSA-N -1 3 346.460 3.541 20 0 EHADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000826323451 608745928 /nfs/dbraw/zinc/74/59/28/608745928.db2.gz FCCLIPUJGHHXIZ-LLVKDONJSA-N -1 3 346.460 3.541 20 0 EHADHM c1ccc(-c2cccc(CNc3cccc(-c4nnn[n-]4)c3)c2)nc1 ZINC000826519121 608869465 /nfs/dbraw/zinc/86/94/65/608869465.db2.gz KXNBWFCZQIDFHV-UHFFFAOYSA-N -1 3 328.379 3.541 20 0 EHADHM c1ccc(-c2cccc(CNc3cccc(-c4nn[n-]n4)c3)c2)nc1 ZINC000826519121 608869466 /nfs/dbraw/zinc/86/94/66/608869466.db2.gz KXNBWFCZQIDFHV-UHFFFAOYSA-N -1 3 328.379 3.541 20 0 EHADHM C[C@@H](N[C@@H](C)c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824532235 609134761 /nfs/dbraw/zinc/13/47/61/609134761.db2.gz SUINGRAIMKVLGP-ZJUUUORDSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@@H](N[C@@H](C)c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824532235 609134763 /nfs/dbraw/zinc/13/47/63/609134763.db2.gz SUINGRAIMKVLGP-ZJUUUORDSA-N -1 3 347.344 3.696 20 0 EHADHM CC(C)C[C@H]1C[C@H](Nc2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000824243412 609170679 /nfs/dbraw/zinc/17/06/79/609170679.db2.gz FSLAJUSIYYCTBQ-OLZOCXBDSA-N -1 3 335.839 3.526 20 0 EHADHM CC(C)C[C@H]1C[C@H](Nc2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000824243412 609170680 /nfs/dbraw/zinc/17/06/80/609170680.db2.gz FSLAJUSIYYCTBQ-OLZOCXBDSA-N -1 3 335.839 3.526 20 0 EHADHM CCOCc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000825605251 609247385 /nfs/dbraw/zinc/24/73/85/609247385.db2.gz SGKOTOOGMCUDRY-GFCCVEGCSA-N -1 3 341.390 3.715 20 0 EHADHM CCOCc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000825605251 609247386 /nfs/dbraw/zinc/24/73/86/609247386.db2.gz SGKOTOOGMCUDRY-GFCCVEGCSA-N -1 3 341.390 3.715 20 0 EHADHM CCOc1cc(F)ccc1N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825615629 609251678 /nfs/dbraw/zinc/25/16/78/609251678.db2.gz DDAOFPHHEHICNC-NSHDSACASA-N -1 3 327.363 3.578 20 0 EHADHM CCOc1cc(F)ccc1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825615629 609251679 /nfs/dbraw/zinc/25/16/79/609251679.db2.gz DDAOFPHHEHICNC-NSHDSACASA-N -1 3 327.363 3.578 20 0 EHADHM Cc1ccn(-c2ccccc2N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000826308739 609253451 /nfs/dbraw/zinc/25/34/51/609253451.db2.gz NANJWGTZRMLAGY-AWEZNQCLSA-N -1 3 345.410 3.534 20 0 EHADHM Cc1ccn(-c2ccccc2N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000826308739 609253452 /nfs/dbraw/zinc/25/34/52/609253452.db2.gz NANJWGTZRMLAGY-AWEZNQCLSA-N -1 3 345.410 3.534 20 0 EHADHM Cc1cc2sc(NCc3cc(-c4nnn[n-]4)cs3)nc2c(C)c1 ZINC000826263937 609264746 /nfs/dbraw/zinc/26/47/46/609264746.db2.gz WMKBZKVPUFUZTH-UHFFFAOYSA-N -1 3 342.453 3.767 20 0 EHADHM Cc1cc2sc(NCc3cc(-c4nn[n-]n4)cs3)nc2c(C)c1 ZINC000826263937 609264747 /nfs/dbraw/zinc/26/47/47/609264747.db2.gz WMKBZKVPUFUZTH-UHFFFAOYSA-N -1 3 342.453 3.767 20 0 EHADHM COc1ccc(C)cc1N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826189901 609272711 /nfs/dbraw/zinc/27/27/11/609272711.db2.gz IPMOWYAKNOUNDO-MRXNPFEDSA-N -1 3 335.411 3.673 20 0 EHADHM COc1ccc(C)cc1N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826189901 609272712 /nfs/dbraw/zinc/27/27/12/609272712.db2.gz IPMOWYAKNOUNDO-MRXNPFEDSA-N -1 3 335.411 3.673 20 0 EHADHM C[C@H](Nc1ccccc1OC(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000824662702 609273436 /nfs/dbraw/zinc/27/34/36/609273436.db2.gz PUNGHRCMVROQLJ-JTQLQIEISA-N -1 3 349.316 3.938 20 0 EHADHM C[C@H](Nc1ccccc1OC(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824662702 609273437 /nfs/dbraw/zinc/27/34/37/609273437.db2.gz PUNGHRCMVROQLJ-JTQLQIEISA-N -1 3 349.316 3.938 20 0 EHADHM Cc1ccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c2cccnc12 ZINC000826291734 609274463 /nfs/dbraw/zinc/27/44/63/609274463.db2.gz TZIUZFRWJPDEFG-CYBMUJFWSA-N -1 3 330.395 3.896 20 0 EHADHM Cc1ccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c2cccnc12 ZINC000826291734 609274464 /nfs/dbraw/zinc/27/44/64/609274464.db2.gz TZIUZFRWJPDEFG-CYBMUJFWSA-N -1 3 330.395 3.896 20 0 EHADHM CCc1cnccc1[C@H](C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825734238 609341432 /nfs/dbraw/zinc/34/14/32/609341432.db2.gz JZVLAOHCGFAVQL-VXGBXAGGSA-N -1 3 325.391 3.870 20 0 EHADHM CCc1cnccc1[C@H](C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825734238 609341434 /nfs/dbraw/zinc/34/14/34/609341434.db2.gz JZVLAOHCGFAVQL-VXGBXAGGSA-N -1 3 325.391 3.870 20 0 EHADHM C[C@@H](Nc1cc(F)cc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824647950 609348636 /nfs/dbraw/zinc/34/86/36/609348636.db2.gz CLQSUXQYLMVHDV-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@@H](Nc1cc(F)cc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824647950 609348638 /nfs/dbraw/zinc/34/86/38/609348638.db2.gz CLQSUXQYLMVHDV-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM COc1ccc(CNc2csc3ccccc23)cc1-c1nnn[n-]1 ZINC000826204215 609439917 /nfs/dbraw/zinc/43/99/17/609439917.db2.gz CCLBINQCEQLTFZ-UHFFFAOYSA-N -1 3 337.408 3.702 20 0 EHADHM COc1ccc(CNc2csc3ccccc23)cc1-c1nn[n-]n1 ZINC000826204215 609439919 /nfs/dbraw/zinc/43/99/19/609439919.db2.gz CCLBINQCEQLTFZ-UHFFFAOYSA-N -1 3 337.408 3.702 20 0 EHADHM O=C(Nc1csc2ccccc12)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826456462 609449370 /nfs/dbraw/zinc/44/93/70/609449370.db2.gz FVAWDBIIONRSNZ-UHFFFAOYSA-N -1 3 336.380 3.725 20 0 EHADHM O=C(Nc1csc2ccccc12)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826456462 609449372 /nfs/dbraw/zinc/44/93/72/609449372.db2.gz FVAWDBIIONRSNZ-UHFFFAOYSA-N -1 3 336.380 3.725 20 0 EHADHM Cc1ccnc(N2CCC[C@H]2c2ccccc2Cl)c1-c1nnn[n-]1 ZINC000826310947 609538392 /nfs/dbraw/zinc/53/83/92/609538392.db2.gz OFOUFMXGXACGJK-AWEZNQCLSA-N -1 3 340.818 3.565 20 0 EHADHM Cc1ccnc(N2CCC[C@H]2c2ccccc2Cl)c1-c1nn[n-]n1 ZINC000826310947 609538393 /nfs/dbraw/zinc/53/83/93/609538393.db2.gz OFOUFMXGXACGJK-AWEZNQCLSA-N -1 3 340.818 3.565 20 0 EHADHM Cc1ccc(C)c([C@H]2CCCN2c2nccc(C)c2-c2nnn[n-]2)c1 ZINC000826285052 609577258 /nfs/dbraw/zinc/57/72/58/609577258.db2.gz OHBKBZGMIFYCFF-MRXNPFEDSA-N -1 3 334.427 3.528 20 0 EHADHM Cc1ccc(C)c([C@H]2CCCN2c2nccc(C)c2-c2nn[n-]n2)c1 ZINC000826285052 609577260 /nfs/dbraw/zinc/57/72/60/609577260.db2.gz OHBKBZGMIFYCFF-MRXNPFEDSA-N -1 3 334.427 3.528 20 0 EHADHM Cc1sc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)c(-c2nnn[n-]2)c1C ZINC000737562519 945097286 /nfs/dbraw/zinc/09/72/86/945097286.db2.gz NIDUIXHKANCZGK-CHWSQXEVSA-N -1 3 345.472 3.700 20 0 EHADHM Cc1sc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)c(-c2nn[n-]n2)c1C ZINC000737562519 945097294 /nfs/dbraw/zinc/09/72/94/945097294.db2.gz NIDUIXHKANCZGK-CHWSQXEVSA-N -1 3 345.472 3.700 20 0 EHADHM C[C@@H](N[C@@H](CC(C)(C)C)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824529100 946763841 /nfs/dbraw/zinc/76/38/41/946763841.db2.gz DUGLPEHADZGBJN-MFKMUULPSA-N -1 3 341.381 3.884 20 0 EHADHM C[C@@H](N[C@@H](CC(C)(C)C)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824529100 946763850 /nfs/dbraw/zinc/76/38/50/946763850.db2.gz DUGLPEHADZGBJN-MFKMUULPSA-N -1 3 341.381 3.884 20 0 EHADHM C[C@@H](N[C@@H](C)c1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824529574 946765542 /nfs/dbraw/zinc/76/55/42/946765542.db2.gz HCYUKQOZTFALCN-ZJUUUORDSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@@H](N[C@@H](C)c1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824529574 946765556 /nfs/dbraw/zinc/76/55/56/946765556.db2.gz HCYUKQOZTFALCN-ZJUUUORDSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@H](OC(=O)CCCc1ccsc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824712728 946906895 /nfs/dbraw/zinc/90/68/95/946906895.db2.gz CATSZTJDAVLIDV-LBPRGKRZSA-N -1 3 342.424 3.555 20 0 EHADHM C[C@H](OC(=O)CCCc1ccsc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824712728 946906911 /nfs/dbraw/zinc/90/69/11/946906911.db2.gz CATSZTJDAVLIDV-LBPRGKRZSA-N -1 3 342.424 3.555 20 0 EHADHM CCCCC[C@H](CC)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825267692 947139141 /nfs/dbraw/zinc/13/91/41/947139141.db2.gz LTRVFOBKDKUGRJ-LBPRGKRZSA-N -1 3 333.411 3.575 20 0 EHADHM CCCCC[C@H](CC)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825267692 947139150 /nfs/dbraw/zinc/13/91/50/947139150.db2.gz LTRVFOBKDKUGRJ-LBPRGKRZSA-N -1 3 333.411 3.575 20 0 EHADHM COCc1cccc(CSc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826164798 947516661 /nfs/dbraw/zinc/51/66/61/947516661.db2.gz QQWITNCVMPPTFS-UHFFFAOYSA-N -1 3 346.843 3.959 20 0 EHADHM COCc1cccc(CSc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826164798 947516669 /nfs/dbraw/zinc/51/66/69/947516669.db2.gz QQWITNCVMPPTFS-UHFFFAOYSA-N -1 3 346.843 3.959 20 0 EHADHM Clc1cc(Cl)cc(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000826350782 948098319 /nfs/dbraw/zinc/09/83/19/948098319.db2.gz KXTDGNUAVKMGIP-UHFFFAOYSA-N -1 3 326.212 3.847 20 0 EHADHM Clc1cc(Cl)cc(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000826350782 948098325 /nfs/dbraw/zinc/09/83/25/948098325.db2.gz KXTDGNUAVKMGIP-UHFFFAOYSA-N -1 3 326.212 3.847 20 0 EHADHM c1csc(-c2ccc(NCc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000826516396 948443909 /nfs/dbraw/zinc/44/39/09/948443909.db2.gz IZIJURUKFABMFY-UHFFFAOYSA-N -1 3 334.408 3.602 20 0 EHADHM c1csc(-c2ccc(NCc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000826516396 948443912 /nfs/dbraw/zinc/44/39/12/948443912.db2.gz IZIJURUKFABMFY-UHFFFAOYSA-N -1 3 334.408 3.602 20 0 EHADHM CC(C)c1ccc(-c2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC001254894487 948495561 /nfs/dbraw/zinc/49/55/61/948495561.db2.gz WSMBFYBTLQVZLB-UHFFFAOYSA-N -1 3 332.367 3.707 20 0 EHADHM CC(C)c1ccc(-c2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC001254894487 948495564 /nfs/dbraw/zinc/49/55/64/948495564.db2.gz WSMBFYBTLQVZLB-UHFFFAOYSA-N -1 3 332.367 3.707 20 0 EHADHM Cc1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)c2ccccc12 ZINC001470789640 948535326 /nfs/dbraw/zinc/53/53/26/948535326.db2.gz RNVOUQOFQZNCRE-UHFFFAOYSA-N -1 3 329.363 3.581 20 0 EHADHM Cc1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)c2ccccc12 ZINC001470789640 948535328 /nfs/dbraw/zinc/53/53/28/948535328.db2.gz RNVOUQOFQZNCRE-UHFFFAOYSA-N -1 3 329.363 3.581 20 0 EHADHM C[C@@H]1CCCC[C@@H]1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC001576169855 949696375 /nfs/dbraw/zinc/69/63/75/949696375.db2.gz JYQHYFPCVTTYDV-MNOVXSKESA-N -1 3 345.472 3.572 20 0 EHADHM C[C@@H]1CCCC[C@@H]1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC001576169855 949696388 /nfs/dbraw/zinc/69/63/88/949696388.db2.gz JYQHYFPCVTTYDV-MNOVXSKESA-N -1 3 345.472 3.572 20 0 EHADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(OCc2ccc(CF)cc2)n1 ZINC001573882321 950778953 /nfs/dbraw/zinc/77/89/53/950778953.db2.gz ZGTJFUIIWOPHSH-UHFFFAOYSA-N -1 3 341.390 3.608 20 0 EHADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(OCc2ccc(CF)cc2)n1 ZINC001573882321 950778972 /nfs/dbraw/zinc/77/89/72/950778972.db2.gz ZGTJFUIIWOPHSH-UHFFFAOYSA-N -1 3 341.390 3.608 20 0 EHADHM C[C@H](CNc1ncc(-c2nnn[n-]2)c2ccsc21)c1ccccc1 ZINC001575164376 952291856 /nfs/dbraw/zinc/29/18/56/952291856.db2.gz DTDKVLRLTYPROB-LLVKDONJSA-N -1 3 336.424 3.692 20 0 EHADHM C[C@H](CNc1ncc(-c2nn[n-]n2)c2ccsc21)c1ccccc1 ZINC001575164376 952291864 /nfs/dbraw/zinc/29/18/64/952291864.db2.gz DTDKVLRLTYPROB-LLVKDONJSA-N -1 3 336.424 3.692 20 0 EHADHM O=C([O-])CN(Cc1ccc(Br)cc1Cl)C1CCC1 ZINC000580660283 953714081 /nfs/dbraw/zinc/71/40/81/953714081.db2.gz YZIDGXVSLHQJHB-UHFFFAOYSA-N -1 3 332.625 3.542 20 0 EHADHM CCCOc1cc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)ccc1OC ZINC000903710050 956906344 /nfs/dbraw/zinc/90/63/44/956906344.db2.gz NWSPDZKBCHKZBC-GOSISDBHSA-N -1 3 347.386 3.539 20 0 EHADHM CC(C)Oc1cccnc1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000182133716 1032067690 /nfs/dbraw/zinc/06/76/90/1032067690.db2.gz VYWKHACQKSIAIB-UHFFFAOYSA-N -1 3 346.437 3.701 20 0 EHADHM Cc1c(Cl)c(CN2CC[C@@H](C(=O)[O-])[C@@H](C)C2)nc2ccccc12 ZINC000391984356 972397432 /nfs/dbraw/zinc/39/74/32/972397432.db2.gz ULWVDMJRMPEHLJ-WCQYABFASA-N -1 3 332.831 3.739 20 0 EHADHM CC[C@@H]1CCCN(Cc2ccc(C(=O)[O-])cc2Br)C1 ZINC000226720175 959896222 /nfs/dbraw/zinc/89/62/22/959896222.db2.gz QRHHJGQDQXDQPR-LLVKDONJSA-N -1 3 326.234 3.769 20 0 EHADHM CN(CCC(F)(F)F)[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC001328739150 961221947 /nfs/dbraw/zinc/22/19/47/961221947.db2.gz AVPWVABDLSPZPQ-JTQLQIEISA-N -1 3 329.240 3.715 20 0 EHADHM Cc1ccc(Br)cc1CNCc1ccc(C(=O)[O-])cc1 ZINC000258883346 961368131 /nfs/dbraw/zinc/36/81/31/961368131.db2.gz MFKAOROCOJHWOP-UHFFFAOYSA-N -1 3 334.213 3.746 20 0 EHADHM COc1cc(CN[C@@](C)(C(=O)[O-])c2ccccc2)ccc1SC ZINC001334011487 961742611 /nfs/dbraw/zinc/74/26/11/961742611.db2.gz XEZOVHDTTAKCDR-GOSISDBHSA-N -1 3 331.437 3.507 20 0 EHADHM Cc1cc(C(=O)[O-])ccc1NC(=O)c1cccc(CN2CCCC2)c1 ZINC001350768931 962577342 /nfs/dbraw/zinc/57/73/42/962577342.db2.gz PQCLJPIMEPAMFU-UHFFFAOYSA-N -1 3 338.407 3.541 20 0 EHADHM CCCOc1ccc(CN2CCC(C(=O)[O-])CC2)c(OCCC)c1 ZINC000263412157 962578201 /nfs/dbraw/zinc/57/82/01/962578201.db2.gz LTYIUNLIOQDDEC-UHFFFAOYSA-N -1 3 335.444 3.561 20 0 EHADHM O=C([O-])c1cccc(NC[C@@H](c2cccc(Cl)c2)N2CCCC2)n1 ZINC000263460403 962648304 /nfs/dbraw/zinc/64/83/04/962648304.db2.gz BNSSMESHJUIMDJ-INIZCTEOSA-N -1 3 345.830 3.682 20 0 EHADHM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(Sc2ccccn2)o1 ZINC000263306298 967868407 /nfs/dbraw/zinc/86/84/07/967868407.db2.gz HHGOVVNGJPERSA-QWHCGFSZSA-N -1 3 332.425 3.511 20 0 EHADHM CC[C@@H](C(=O)[O-])N(C)Cc1cc(Cl)c(C)cc1Br ZINC000650806008 968607911 /nfs/dbraw/zinc/60/79/11/968607911.db2.gz OHYWIFLXXHNQFX-LBPRGKRZSA-N -1 3 334.641 3.706 20 0 EHADHM C[C@@H]1C[C@@H](C)CN(Cc2cc(Br)ccc2C(=O)[O-])C1 ZINC000516188223 1026121910 /nfs/dbraw/zinc/12/19/10/1026121910.db2.gz YHLDCMZRXKWQPY-GHMZBOCLSA-N -1 3 326.234 3.625 20 0 EHADHM CC[C@@H](NCCOc1ccccc1C(=O)[O-])c1cc(F)ccc1OC ZINC001603585551 973751822 /nfs/dbraw/zinc/75/18/22/973751822.db2.gz GNEKLHSYLYMLPZ-MRXNPFEDSA-N -1 3 347.386 3.652 20 0 EHADHM O=C([O-])[C@@H](CC(F)F)NCc1cc(C(F)(F)F)ccc1Cl ZINC000417585775 973964156 /nfs/dbraw/zinc/96/41/56/973964156.db2.gz BMRMODOQTCZQGK-SECBINFHSA-N -1 3 331.668 3.557 20 0 EHADHM CC(C)Oc1ccc(CN2CCC[C@](C)(C(=O)[O-])C2)cc1Cl ZINC000565100927 974568067 /nfs/dbraw/zinc/56/80/67/974568067.db2.gz LDDKVQIGGZUKPT-KRWDZBQOSA-N -1 3 325.836 3.814 20 0 EHADHM O=C([O-])c1ccc(CN2CCC(C3CCOCC3)CC2)cc1Cl ZINC000566803077 974621754 /nfs/dbraw/zinc/62/17/54/974621754.db2.gz SEAXIBILZUUZBM-UHFFFAOYSA-N -1 3 337.847 3.677 20 0 EHADHM O=C([O-])[C@@H](c1cccc(Cl)c1Cl)N1CCC2(C1)CCOCC2 ZINC000574331669 974780627 /nfs/dbraw/zinc/78/06/27/974780627.db2.gz JBNZPWJBUUZARQ-CQSZACIVSA-N -1 3 344.238 3.622 20 0 EHADHM CC(C)CN(CCC(=O)[O-])Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000574922212 974792151 /nfs/dbraw/zinc/79/21/51/974792151.db2.gz JNKOIWVPCIQLCM-UHFFFAOYSA-N -1 3 336.819 3.928 20 0 EHADHM COCCN(Cc1ccccc1)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000577617582 974838527 /nfs/dbraw/zinc/83/85/27/974838527.db2.gz FTJGTZQVOOLPJL-UHFFFAOYSA-N -1 3 333.815 3.687 20 0 EHADHM C[C@H](c1ccc(F)cc1)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000629367373 975085130 /nfs/dbraw/zinc/08/51/30/975085130.db2.gz KCZHSWOTGHEXQN-LLVKDONJSA-N -1 3 334.416 3.921 20 0 EHADHM Cc1cc([C@H](C)N2CC[C@H](Oc3cccc(F)c3)C2)oc1C(=O)[O-] ZINC000634697421 975274644 /nfs/dbraw/zinc/27/46/44/975274644.db2.gz JCZMYMCLNQZLAK-WFASDCNBSA-N -1 3 333.359 3.640 20 0 EHADHM CC(C)O[C@H](CN[C@](C)(CC(=O)[O-])c1ccccn1)c1ccccc1 ZINC001591686222 975494134 /nfs/dbraw/zinc/49/41/34/975494134.db2.gz JJPQSLIIVFWNQL-YLJYHZDGSA-N -1 3 342.439 3.527 20 0 EHADHM CC(C)O[C@@H]1CCCN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC001591696723 975537961 /nfs/dbraw/zinc/53/79/61/975537961.db2.gz WTGXSYCDDXVNBC-DOMZBBRYSA-N -1 3 345.361 3.721 20 0 EHADHM O=C([O-])c1ccc(CN2CCCC[C@H]2Cc2ccccc2F)nc1 ZINC000652507305 975569827 /nfs/dbraw/zinc/56/98/27/975569827.db2.gz ABHAJCGNSGERRW-KRWDZBQOSA-N -1 3 328.387 3.516 20 0 EHADHM CCC[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000683142104 1014490463 /nfs/dbraw/zinc/49/04/63/1014490463.db2.gz GXBJHTATXPJADS-QMMMGPOBSA-N -1 3 340.670 3.569 20 0 EHADHM C[C@H](CN(Cc1c[nH]c(-c2ccccc2)n1)Cc1ccccc1)C(=O)[O-] ZINC001592604825 978547734 /nfs/dbraw/zinc/54/77/34/978547734.db2.gz OQJHUPKDDCIDTC-MRXNPFEDSA-N -1 3 349.434 3.800 20 0 EHADHM C[C@H](CN(Cc1cnc(-c2ccccc2)[nH]1)Cc1ccccc1)C(=O)[O-] ZINC001592604825 978547736 /nfs/dbraw/zinc/54/77/36/978547736.db2.gz OQJHUPKDDCIDTC-MRXNPFEDSA-N -1 3 349.434 3.800 20 0 EHADHM Cc1cc(CN[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cs1 ZINC000841795021 979311788 /nfs/dbraw/zinc/31/17/88/979311788.db2.gz FNLQOTZCVJEKLL-CYBMUJFWSA-N -1 3 329.343 3.991 20 0 EHADHM CCC(CC)[C@@H](O)CNCc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001595109312 979441749 /nfs/dbraw/zinc/44/17/49/979441749.db2.gz GWAHJCKXTSLJIW-KRWDZBQOSA-N -1 3 331.412 3.532 20 0 EHADHM C[C@H](CSc1ccccc1)N(C)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001592831785 979559151 /nfs/dbraw/zinc/55/91/51/979559151.db2.gz GGDSXPIIOYDTMK-PLSXKVAHSA-N -1 3 331.437 3.990 20 0 EHADHM C[C@H]1SCCN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)[C@H]1C ZINC000859787826 979631142 /nfs/dbraw/zinc/63/11/42/979631142.db2.gz PDGJRKHPUGBFCA-QWHCGFSZSA-N -1 3 331.437 3.971 20 0 EHADHM CCOC[C@H]1CCCN(Cc2ccc(C(=O)[O-])cc2C(F)(F)F)C1 ZINC000901431482 980280053 /nfs/dbraw/zinc/28/00/53/980280053.db2.gz ODTYARQTUQQODP-LBPRGKRZSA-N -1 3 345.361 3.652 20 0 EHADHM C[C@H]1SCCN(Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)[C@H]1C ZINC000901433988 980282757 /nfs/dbraw/zinc/28/27/57/980282757.db2.gz OUMOYPDRQKTUGB-QWHCGFSZSA-N -1 3 331.437 3.971 20 0 EHADHM CC[C@H](N[C@@H](C)c1cncc(C(=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC001595280934 980328395 /nfs/dbraw/zinc/32/83/95/980328395.db2.gz FITNDDPHDQEIMA-LRDDRELGSA-N -1 3 344.411 3.599 20 0 EHADHM Cc1cc(CNCc2ccc(CC(=O)[O-])cc2)cc(C)c1OC(F)F ZINC000901540245 980367432 /nfs/dbraw/zinc/36/74/32/980367432.db2.gz NZXQZISZIJTSMC-UHFFFAOYSA-N -1 3 349.377 3.822 20 0 EHADHM CC[C@H](C)C[C@@H](NCc1csc(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000901682183 980447527 /nfs/dbraw/zinc/44/75/27/980447527.db2.gz OBJSAEZNOVTNPX-XHDPSFHLSA-N -1 3 336.432 3.928 20 0 EHADHM O=C([O-])[C@H](CC1CCCCC1)NCc1csc(-c2ccccn2)n1 ZINC000901771556 980501106 /nfs/dbraw/zinc/50/11/06/980501106.db2.gz KRPOLHCWYIDBOJ-INIZCTEOSA-N -1 3 345.468 3.718 20 0 EHADHM CC[C@H](c1cccc(OC)c1)N(C)Cc1cc(C(=O)[O-])c(C)n1C ZINC001595360561 980753250 /nfs/dbraw/zinc/75/32/50/980753250.db2.gz ZDTDXXZNPGJXBG-GOSISDBHSA-N -1 3 330.428 3.623 20 0 EHADHM Cc1nc(CN[C@@H]2CCC[C@H](CCCC(=O)[O-])C2)nc2ccccc12 ZINC000902212393 980784336 /nfs/dbraw/zinc/78/43/36/980784336.db2.gz DESLWZBPMREMOW-HZPDHXFCSA-N -1 3 341.455 3.842 20 0 EHADHM O=C([O-])c1coc(CNCCc2nc(C3CCCCC3)cs2)c1 ZINC000902253425 980799897 /nfs/dbraw/zinc/79/98/97/980799897.db2.gz UXZPSMCWSZDJJT-UHFFFAOYSA-N -1 3 334.441 3.814 20 0 EHADHM C[C@H](COCC1CC1)NCc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000902354208 980847659 /nfs/dbraw/zinc/84/76/59/980847659.db2.gz FBUPQGFCDFZHGS-CYBMUJFWSA-N -1 3 329.396 3.550 20 0 EHADHM O=C([O-])c1cc(CN2CCC[C@H](CCCc3ccccc3)C2)on1 ZINC000902357811 980851140 /nfs/dbraw/zinc/85/11/40/980851140.db2.gz AJVIKDVANYQEBI-INIZCTEOSA-N -1 3 328.412 3.608 20 0 EHADHM CCC1(CC)[C@H](N[C@@H](C(=O)[O-])c2c(F)cccc2Cl)C[C@H]1OC ZINC001595373261 980870753 /nfs/dbraw/zinc/87/07/53/980870753.db2.gz GHPVBZBUECGTSE-UMVBOHGHSA-N -1 3 343.826 3.788 20 0 EHADHM O=C([O-])CCC[C@@H]1CCC[C@H](N[C@H]2COc3cc(F)cc(F)c32)C1 ZINC000902438243 980886000 /nfs/dbraw/zinc/88/60/00/980886000.db2.gz DJUORQCBWHULEE-WHOFXGATSA-N -1 3 339.382 3.802 20 0 EHADHM C[C@@H]1CC[C@H](C)N(Cc2ccc(C(=O)[O-])c(Br)c2)C1 ZINC000902525411 980922032 /nfs/dbraw/zinc/92/20/32/980922032.db2.gz UCMUYRURRDIWMV-MNOVXSKESA-N -1 3 326.234 3.768 20 0 EHADHM COc1cc(C)c([C@@H](C)NCc2ccc(C(=O)[O-])s2)cc1OC ZINC000903676688 981012253 /nfs/dbraw/zinc/01/22/53/981012253.db2.gz DGROFDJRAFCPOG-LLVKDONJSA-N -1 3 335.425 3.623 20 0 EHADHM O=C([O-])[C@@H]1c2ccccc2OCCN1CCSC1CCCCC1 ZINC000903930975 981051696 /nfs/dbraw/zinc/05/16/96/981051696.db2.gz LRQSGKNTABFKDB-KRWDZBQOSA-N -1 3 335.469 3.573 20 0 EHADHM O=C([O-])c1ccc(CN2CC[C@H](Cc3nccs3)C2)cc1Cl ZINC000903956506 981072420 /nfs/dbraw/zinc/07/24/20/981072420.db2.gz 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ZINC000515592766 1025388195 /nfs/dbraw/zinc/38/81/95/1025388195.db2.gz VORSAJGXTQZFBW-GFCCVEGCSA-N -1 3 330.432 3.656 20 0 EHADHM O=S(=O)([N-]Cc1ccc(Cl)s1)c1ccc(Cl)cc1F ZINC000028317854 1025455656 /nfs/dbraw/zinc/45/56/56/1025455656.db2.gz UKDHNBYKGFNFAS-UHFFFAOYSA-N -1 3 340.228 3.673 20 0 EHADHM COc1cccc(C2=CCN(C(=O)c3cc([O-])ccc3Cl)CC2)c1 ZINC000342439711 1025492431 /nfs/dbraw/zinc/49/24/31/1025492431.db2.gz XLGASHBXDJNIKR-UHFFFAOYSA-N -1 3 343.810 3.984 20 0 EHADHM [O-]c1cccnc1CSc1ncnc2sc3c(c21)CCCC3 ZINC000582160048 1025497808 /nfs/dbraw/zinc/49/78/08/1025497808.db2.gz HSHNOMAMGYVLFG-UHFFFAOYSA-N -1 3 329.450 3.963 20 0 EHADHM C[C@@H](Cc1nnc(SCc2ncccc2[O-])o1)c1ccccc1 ZINC000559631137 1025558893 /nfs/dbraw/zinc/55/88/93/1025558893.db2.gz UKBRBGOKQGWRIT-LBPRGKRZSA-N -1 3 327.409 3.809 20 0 EHADHM CCCn1nccc1C1CCN(C(=O)c2cc(CC)ccc2[O-])CC1 ZINC000436492105 1025777405 /nfs/dbraw/zinc/77/74/05/1025777405.db2.gz MTGNPNHXOSEQQA-UHFFFAOYSA-N -1 3 341.455 3.581 20 0 EHADHM O=S(=O)([N-]C1(c2ccccc2)CCC1)c1cccc(Cl)c1F ZINC000032435976 1025797208 /nfs/dbraw/zinc/79/72/08/1025797208.db2.gz JJQJNZYZFJODBN-UHFFFAOYSA-N -1 3 339.819 3.837 20 0 EHADHM Cc1ccc(C(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)c([O-])c1 ZINC000436531735 1025837393 /nfs/dbraw/zinc/83/73/93/1025837393.db2.gz DPUUVLJVAXMPBG-QGZVFWFLSA-N -1 3 343.398 3.661 20 0 EHADHM COc1cc(OC)cc(N(C)C(=O)c2ccc3c(c2[O-])CCCC3)c1 ZINC000191091519 1025839395 /nfs/dbraw/zinc/83/93/95/1025839395.db2.gz MSTKNMLTLMSGDT-UHFFFAOYSA-N -1 3 341.407 3.565 20 0 EHADHM Cc1ccc(C(=O)N2CCC(Cc3ccccc3F)CC2)c([O-])c1 ZINC000436548072 1025855462 /nfs/dbraw/zinc/85/54/62/1025855462.db2.gz LVDSHZZSBVJEBN-UHFFFAOYSA-N -1 3 327.399 3.935 20 0 EHADHM COc1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2C)c([O-])c1 ZINC000436551187 1025858295 /nfs/dbraw/zinc/85/82/95/1025858295.db2.gz MOKPOQDTMXRGIM-MRXNPFEDSA-N -1 3 325.408 3.557 20 0 EHADHM CC[C@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@H](C)O1 ZINC000436544931 1025876149 /nfs/dbraw/zinc/87/61/49/1025876149.db2.gz DZDOREKWECUMSF-YJBOKZPZSA-N -1 3 339.435 3.623 20 0 EHADHM CC(=O)c1ccc(C(=O)Nc2cccc(-c3ccnc(C)n3)c2)cc1[O-] ZINC000436557100 1025882005 /nfs/dbraw/zinc/88/20/05/1025882005.db2.gz QIBWXRDSUSGEPP-UHFFFAOYSA-N -1 3 347.374 3.613 20 0 EHADHM Cc1cccc(CN(C)C(=O)c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000436564056 1025892741 /nfs/dbraw/zinc/89/27/41/1025892741.db2.gz NZHMWSJPZKONFY-UHFFFAOYSA-N -1 3 346.430 3.959 20 0 EHADHM C[C@@H]1N(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CCOC1(C)C ZINC000436594143 1025914290 /nfs/dbraw/zinc/91/42/90/1025914290.db2.gz DJFLCTSBJOGHOK-AWEZNQCLSA-N -1 3 341.407 3.824 20 0 EHADHM CCc1c(NC(=O)c2cccc(OC)c2[O-])cnn1C(CC)CC ZINC000436597564 1025916604 /nfs/dbraw/zinc/91/66/04/1025916604.db2.gz VTOYFSGXFVJSPE-UHFFFAOYSA-N -1 3 331.416 3.773 20 0 EHADHM Cc1ccc(C(=O)N(Cc2ccccc2)CC2(O)CCCC2)c([O-])c1 ZINC000436588410 1025926601 /nfs/dbraw/zinc/92/66/01/1025926601.db2.gz SXQPOAXWCWQHDP-UHFFFAOYSA-N -1 3 339.435 3.648 20 0 EHADHM CC(C)c1ccc(-c2nc(CCn3nnc4ccccc43)no2)c([O-])c1 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3.903 20 0 EHADHM COc1ccc(CCNC(=O)c2ccc(C(C)C)cc2[O-])cc1OC ZINC000436621759 1025972465 /nfs/dbraw/zinc/97/24/65/1025972465.db2.gz DPQLEMDMJVLIDW-UHFFFAOYSA-N -1 3 343.423 3.505 20 0 EHADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc([O-])c(Cl)c2)C1 ZINC000436669324 1026011864 /nfs/dbraw/zinc/01/18/64/1026011864.db2.gz JUUJDZOYHZDMIK-CZUORRHYSA-N -1 3 344.842 3.611 20 0 EHADHM C[C@@H]1COCC[C@@H]1CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436658938 1026018852 /nfs/dbraw/zinc/01/88/52/1026018852.db2.gz WSVLNGMUJLNWTI-HUUCEWRRSA-N -1 3 341.407 3.587 20 0 EHADHM Cc1ccc(CCC2CCN(C(=O)c3c([O-])cccc3O)CC2)cc1 ZINC000436675765 1026021965 /nfs/dbraw/zinc/02/19/65/1026021965.db2.gz XBBWVHYLPYCIGB-UHFFFAOYSA-N -1 3 339.435 3.891 20 0 EHADHM CCN1CCc2nc(NC(=O)c3ccc(C(C)C)cc3[O-])sc2C1 ZINC000436754410 1026144474 /nfs/dbraw/zinc/14/44/74/1026144474.db2.gz YPNXZPMSKBSCAN-UHFFFAOYSA-N -1 3 345.468 3.602 20 0 EHADHM O=S(=O)([N-][C@@H](c1ccc(F)c(Cl)c1)C1CC1)c1ccco1 ZINC000451752802 1026261169 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CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCC[C@H](SC)C3)nc2)n1 ZINC000301278419 1026747675 /nfs/dbraw/zinc/74/76/75/1026747675.db2.gz JMUWADFNEOEWND-CABCVRRESA-N -1 3 344.484 3.893 20 0 EHADHM COc1ccc([C@H]2CCN(C(=O)c3cc([O-])ccc3Cl)C2)cc1 ZINC000277764548 1026845668 /nfs/dbraw/zinc/84/56/68/1026845668.db2.gz SLPVSKIRPSWECZ-ZDUSSCGKSA-N -1 3 331.799 3.684 20 0 EHADHM CC[C@@H]1CCCCN1Cc1cc(Br)ccc1C(=O)[O-] ZINC000582671101 1026907105 /nfs/dbraw/zinc/90/71/05/1026907105.db2.gz FGSURHZLWBMPJF-CYBMUJFWSA-N -1 3 326.234 3.912 20 0 EHADHM Cc1c(Br)ccc([O-])c1NC(=O)c1ccnc(C2CC2)c1 ZINC000452748739 1026973053 /nfs/dbraw/zinc/97/30/53/1026973053.db2.gz BHXDWCHWVXTGJJ-UHFFFAOYSA-N -1 3 347.212 3.988 20 0 EHADHM [O-]c1ccc(Cc2ccccc2)cc1-c1nc(C[C@@H]2CCCO2)no1 ZINC000273370917 1027399159 /nfs/dbraw/zinc/39/91/59/1027399159.db2.gz CVEHUXMABOFJJG-INIZCTEOSA-N -1 3 336.391 3.755 20 0 EHADHM CC(C)(C)OC(=O)Nc1cc(Nc2cc(F)c([O-])c(F)c2)ncn1 ZINC001213373567 1027727959 /nfs/dbraw/zinc/72/79/59/1027727959.db2.gz MCVAQWITTJEILY-UHFFFAOYSA-N -1 3 338.314 3.551 20 0 EHADHM COc1ccc(Br)c(Nc2cc(F)c([O-])c(F)c2)n1 ZINC001213375053 1028013641 /nfs/dbraw/zinc/01/36/41/1028013641.db2.gz NKJQEACDVFPBDJ-UHFFFAOYSA-N -1 3 331.116 3.580 20 0 EHADHM O=C(Nc1ccc(Cl)cc1[O-])c1csc(Nc2ccccn2)n1 ZINC000533618621 1028164880 /nfs/dbraw/zinc/16/48/80/1028164880.db2.gz XIICPBDSKSIXCE-UHFFFAOYSA-N -1 3 346.799 3.893 20 0 EHADHM O=C(N=c1cc(-c2cccnc2)[n-][nH]1)C1CCC(c2ccccc2)CC1 ZINC000582893105 1028189337 /nfs/dbraw/zinc/18/93/37/1028189337.db2.gz AGTCQSTZHUEAEG-UHFFFAOYSA-N -1 3 346.434 3.806 20 0 EHADHM COc1cc(C(=O)NC[C@H](c2ccccc2)C(C)C)cc(OC)c1[O-] ZINC000161590862 1028199449 /nfs/dbraw/zinc/19/94/49/1028199449.db2.gz RLAMCXGNRHMIFG-INIZCTEOSA-N -1 3 343.423 3.579 20 0 EHADHM CCC(CC)c1cc(C(=O)[N-]c2nc3c(s2)C(=O)CCC3)on1 ZINC000153590072 1028259508 /nfs/dbraw/zinc/25/95/08/1028259508.db2.gz IMSUDIGIVQRSBO-UHFFFAOYSA-N -1 3 333.413 3.806 20 0 EHADHM COc1ccc(-c2ccccn2)nc1Nc1ccc([O-])c(F)c1F ZINC001211997781 1028260145 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1123322127 /nfs/dbraw/zinc/32/21/27/1123322127.db2.gz DICCQICVMJDUDW-UHFFFAOYSA-N -1 3 348.815 3.970 20 0 EHADHM O=C(NCc1ccc([O-])c(F)c1)c1cnc(-c2ccccc2)s1 ZINC000133128168 1123348194 /nfs/dbraw/zinc/34/81/94/1123348194.db2.gz JILOXCGJSYUGOB-UHFFFAOYSA-N -1 3 328.368 3.585 20 0 EHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(SC)cc2)c(C)c1F ZINC000543022963 1129117251 /nfs/dbraw/zinc/11/72/51/1129117251.db2.gz QAEXALOGUPPFKT-UHFFFAOYSA-N -1 3 341.429 3.665 20 0 EHADHM COc1cc(C(=O)N(C)[C@H](C)c2ccccc2Cl)cc(OC)c1[O-] ZINC000135129857 1123585426 /nfs/dbraw/zinc/58/54/26/1123585426.db2.gz QTJKSXSQRPMMNN-LLVKDONJSA-N -1 3 349.814 3.896 20 0 EHADHM CC[C@@H](C)[C@H](C(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1ccccc1 ZINC000136989752 1123743197 /nfs/dbraw/zinc/74/31/97/1123743197.db2.gz CCFHYFJGFQKKPF-KUHUBIRLSA-N -1 3 349.438 3.559 20 0 EHADHM CC[C@@H](C)[C@H](C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1ccccc1 ZINC000136989752 1123743201 /nfs/dbraw/zinc/74/32/01/1123743201.db2.gz CCFHYFJGFQKKPF-KUHUBIRLSA-N -1 3 349.438 3.559 20 0 EHADHM CCOc1cc(-c2noc([C@@H](N)CC(C)C)n2)cc(Cl)c1[O-] ZINC000843218608 1129143167 /nfs/dbraw/zinc/14/31/67/1129143167.db2.gz ZHYVWOXZAQUFSH-NSHDSACASA-N -1 3 325.796 3.540 20 0 EHADHM CC(=O)[C@H]1CCCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000615520021 1123820324 /nfs/dbraw/zinc/82/03/24/1123820324.db2.gz FDFWRNBPXQJFGE-GOSISDBHSA-N -1 3 339.391 3.768 20 0 EHADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000616371818 1123990839 /nfs/dbraw/zinc/99/08/39/1123990839.db2.gz KEOYRALLUWSQBD-JTQLQIEISA-N -1 3 333.375 3.919 20 0 EHADHM O=C(N[C@@H](c1ccccc1)C1(CO)CCC1)c1cc([O-])ccc1Cl ZINC000616876198 1124043616 /nfs/dbraw/zinc/04/36/16/1124043616.db2.gz CGJQPKKYCFHUFW-KRWDZBQOSA-N -1 3 345.826 3.679 20 0 EHADHM O=C(Nc1cc(Br)ccc1[O-])c1cccc2cc[nH]c21 ZINC000085589986 1124631149 /nfs/dbraw/zinc/63/11/49/1124631149.db2.gz CJXBJRWUEDMVTH-UHFFFAOYSA-N -1 3 331.169 3.888 20 0 EHADHM Cc1nc(-c2ccccc2)oc1C([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000181415011 1124818214 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O=C([N-]c1ncc(Cc2ccccc2F)s1)c1cc(Cl)no1 ZINC001626096495 1129972349 /nfs/dbraw/zinc/97/23/49/1129972349.db2.gz WXJOXVNCTPXLAP-UHFFFAOYSA-N -1 3 337.763 3.767 20 0 EHADHM Cc1cc(-c2noc(-c3ccc([O-])cn3)n2)ccc1Br ZINC001212558202 1130380211 /nfs/dbraw/zinc/38/02/11/1130380211.db2.gz WRHIKTQWHUUKHD-UHFFFAOYSA-N -1 3 332.157 3.575 20 0 EHADHM O=c1nc(CN2C[C@H]3CCC[C@@H]32)[n-]c2scc(-c3ccco3)c21 ZINC000675497935 1130416142 /nfs/dbraw/zinc/41/61/42/1130416142.db2.gz KBRSPQYDKNVXED-PWSUYJOCSA-N -1 3 327.409 3.641 20 0 EHADHM O=C(NCc1ccc(Cl)cc1Cl)c1nnc2ccccc2c1[O-] ZINC000732257336 1130905694 /nfs/dbraw/zinc/90/56/94/1130905694.db2.gz KSHQJZWEDRCOKX-UHFFFAOYSA-N -1 3 348.189 3.572 20 0 EHADHM O=C(OCc1cc2ccccc2[nH]c1=O)c1cc(Cl)c(Cl)[n-]1 ZINC000733430961 1131036558 /nfs/dbraw/zinc/03/65/58/1131036558.db2.gz VCCYINBIKGWPIB-UHFFFAOYSA-N -1 3 337.162 3.932 20 0 EHADHM CC(C)(C)SCCSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000282605212 1131119017 /nfs/dbraw/zinc/11/90/17/1131119017.db2.gz 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346.346 3.575 20 0 EHADHM [O-]C(c1cccc(Nc2ccncc2)c1)(C(F)(F)F)C(F)(F)F ZINC001173884353 1132179634 /nfs/dbraw/zinc/17/96/34/1132179634.db2.gz OOGAXSGNBROSJG-UHFFFAOYSA-N -1 3 336.235 3.559 20 0 EHADHM CC(=O)Nc1ccc(Nc2cc(Br)cc(F)c2[O-])cc1 ZINC001173978074 1132205963 /nfs/dbraw/zinc/20/59/63/1132205963.db2.gz ZDJYRPIYZMDIGZ-UHFFFAOYSA-N -1 3 339.164 3.996 20 0 EHADHM COc1ccc2cc([N-]S(=O)(=O)c3ccc(N)c(C)c3)ccc2c1 ZINC001174031669 1132220822 /nfs/dbraw/zinc/22/08/22/1132220822.db2.gz FEQZVXRCRWABTE-UHFFFAOYSA-N -1 3 342.420 3.540 20 0 EHADHM CC(C)c1nnc([N-]c2cccc(C(=O)N3CCC(C)CC3)c2)o1 ZINC001174202632 1132282784 /nfs/dbraw/zinc/28/27/84/1132282784.db2.gz MARAMTBQXBCAFQ-UHFFFAOYSA-N -1 3 328.416 3.809 20 0 EHADHM COc1ccc(F)c(F)c1Nc1ncc(Br)cc1[O-] ZINC001174423433 1132348872 /nfs/dbraw/zinc/34/88/72/1132348872.db2.gz WGROTXILDIXQPA-UHFFFAOYSA-N -1 3 331.116 3.580 20 0 EHADHM Brc1ccc2oc([N-]c3cnn(CC4CC4)c3)nc2c1 ZINC001174466869 1132377887 /nfs/dbraw/zinc/37/78/87/1132377887.db2.gz 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ZINC000125532600 1137636959 /nfs/dbraw/zinc/63/69/59/1137636959.db2.gz MJAZCVAKECIIIX-SFHVURJKSA-N -1 3 347.418 3.517 20 0 EHADHM O=C(OCc1cc(F)cc2c1OCOC2)c1cc(Cl)c(Cl)[n-]1 ZINC000021730918 1137656564 /nfs/dbraw/zinc/65/65/64/1137656564.db2.gz HFQBDYMAAPEAMN-UHFFFAOYSA-N -1 3 346.141 3.684 20 0 EHADHM CCCCn1ncc(NCc2cc(=O)oc3c(C)c([O-])ccc23)c1C ZINC000126650936 1137685985 /nfs/dbraw/zinc/68/59/85/1137685985.db2.gz DZPVVBJOUCEKPK-UHFFFAOYSA-N -1 3 341.411 3.724 20 0 EHADHM Cc1ccc(C2(NCc3nnc(-c4ccccc4[O-])o3)CCC2)cc1 ZINC000878768868 1137727635 /nfs/dbraw/zinc/72/76/35/1137727635.db2.gz BYMRWOKAJLCXEF-UHFFFAOYSA-N -1 3 335.407 3.920 20 0 EHADHM C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000879359291 1137745333 /nfs/dbraw/zinc/74/53/33/1137745333.db2.gz RFEJBBZCUOTHEA-FUXBKTLASA-N -1 3 340.210 3.727 20 0 EHADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@@H](C3CCOCC3)C2)c1 ZINC000882910763 1137837889 /nfs/dbraw/zinc/83/78/89/1137837889.db2.gz ARXQLDQPIOMPON-QGZVFWFLSA-N -1 3 331.456 3.624 20 0 EHADHM CCc1ccc(C(=O)N2CCCC[C@@H](C3CCOCC3)C2)c([O-])c1 ZINC000882914688 1137838209 /nfs/dbraw/zinc/83/82/09/1137838209.db2.gz XOFKEZQOJQAOOP-QGZVFWFLSA-N -1 3 331.456 3.624 20 0 EHADHM Cc1ccc(CC(=O)[N-]OCc2cc3ccccc3nc2Cl)cc1 ZINC000131377097 1137851841 /nfs/dbraw/zinc/85/18/41/1137851841.db2.gz JASPLUPTOOWRLY-UHFFFAOYSA-N -1 3 340.810 3.987 20 0 EHADHM CCc1ccc([O-])c(C(=O)N2CCC(c3ncc(C)s3)CC2)c1 ZINC000332474751 1137944878 /nfs/dbraw/zinc/94/48/78/1137944878.db2.gz UMKZCIRIGDDCBN-UHFFFAOYSA-N -1 3 330.453 3.739 20 0 EHADHM CC(=O)N(C)c1ccccc1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000332609777 1137948892 /nfs/dbraw/zinc/94/88/92/1137948892.db2.gz PKMBUUMHADRUCN-UHFFFAOYSA-N -1 3 338.407 3.506 20 0 EHADHM Cc1csc(C[C@@H]2CCN(C(=O)c3ccc(C(C)C)cc3[O-])C2)n1 ZINC000886227985 1138060975 /nfs/dbraw/zinc/06/09/75/1138060975.db2.gz PRUOBPXBJJPETD-AWEZNQCLSA-N -1 3 344.480 3.985 20 0 EHADHM CC[C@H](C)n1ncc(C(=O)NCc2ccc([O-])c(F)c2)c1C1CC1 ZINC000089831201 1138206310 /nfs/dbraw/zinc/20/63/10/1138206310.db2.gz DWSPOZHXGLHVGU-NSHDSACASA-N -1 3 331.391 3.506 20 0 EHADHM O=C([N-]c1nnc(C(F)F)s1)c1cnccc1Oc1ccccc1 ZINC000337414635 1138561840 /nfs/dbraw/zinc/56/18/40/1138561840.db2.gz SNITWABKDLCOTF-UHFFFAOYSA-N -1 3 348.334 3.915 20 0 EHADHM Cc1nc(-c2ccc(NC(=O)N[C@H](C)CC(C)C)cc2)cc(=O)[n-]1 ZINC000337499271 1138587477 /nfs/dbraw/zinc/58/74/77/1138587477.db2.gz UMHJEPVXHMOBQJ-GFCCVEGCSA-N -1 3 328.416 3.714 20 0 EHADHM c1sc([N-]c2ncnc3ccncc32)nc1-c1ccc2c(c1)CCO2 ZINC000337527541 1138595617 /nfs/dbraw/zinc/59/56/17/1138595617.db2.gz SIDXSLARZOBDHC-UHFFFAOYSA-N -1 3 347.403 3.827 20 0 EHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cc(C)oc2C)[nH][n-]1 ZINC000338132406 1138760684 /nfs/dbraw/zinc/76/06/84/1138760684.db2.gz OPAWLNUMLWHPLQ-UHFFFAOYSA-N -1 3 345.786 3.623 20 0 EHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(OCc2ccccc2)cc1 ZINC000153092128 1139122841 /nfs/dbraw/zinc/12/28/41/1139122841.db2.gz ONPDTPOWURMQMA-GOSISDBHSA-N -1 3 342.395 3.845 20 0 EHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(OCc2ccccc2)cc1 ZINC000153092128 1139122845 /nfs/dbraw/zinc/12/28/45/1139122845.db2.gz ONPDTPOWURMQMA-GOSISDBHSA-N -1 3 342.395 3.845 20 0 EHADHM CC(C)c1noc([C@@H](C)O[N-]C(=O)Cc2cccc3ccccc32)n1 ZINC000174119343 1139400069 /nfs/dbraw/zinc/40/00/69/1139400069.db2.gz DYZXUZWVYSNCCP-CYBMUJFWSA-N -1 3 339.395 3.698 20 0 EHADHM C[C@H]1CCN(C(=O)NCc2ccc([O-])c(F)c2)[C@H](c2ccco2)C1 ZINC000175192293 1139470653 /nfs/dbraw/zinc/47/06/53/1139470653.db2.gz XIGBIYURJZAAKJ-WFASDCNBSA-N -1 3 332.375 3.807 20 0 EHADHM O=C([N-]c1ncn(C2CCCCC2)n1)c1cc(F)c(F)cc1Cl ZINC000182713633 1139988019 /nfs/dbraw/zinc/98/80/19/1139988019.db2.gz WGBNNWGFESJHLX-UHFFFAOYSA-N -1 3 340.761 3.967 20 0 EHADHM COc1ccc(N[C@H](c2ccccc2)C2CC2)cc1[N-]S(C)(=O)=O ZINC000182736512 1139989227 /nfs/dbraw/zinc/98/92/27/1139989227.db2.gz YHSPIGUUGSTJFY-GOSISDBHSA-N -1 3 346.452 3.630 20 0 EHADHM C[C@H]1CN(c2ccccc2NCc2cc([O-])cc(F)c2)C[C@H](C)O1 ZINC000185477042 1140152179 /nfs/dbraw/zinc/15/21/79/1140152179.db2.gz KZPZYAQECQTKEK-KBPBESRZSA-N -1 3 330.403 3.757 20 0 EHADHM CC(C)Oc1ccc(NC([O-])=NO[C@H]2CCCCO2)c(Cl)c1 ZINC000187222255 1140244659 /nfs/dbraw/zinc/24/46/59/1140244659.db2.gz FCEPUHLXROSHSB-AWEZNQCLSA-N -1 3 328.796 3.707 20 0 EHADHM CC(C)Oc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)c(Cl)c1 ZINC000187222255 1140244663 /nfs/dbraw/zinc/24/46/63/1140244663.db2.gz FCEPUHLXROSHSB-AWEZNQCLSA-N -1 3 328.796 3.707 20 0 EHADHM Cc1cc(=O)[n-]c([C@H](C)N(C)Cc2csc(Br)c2)n1 ZINC000192553058 1140537312 /nfs/dbraw/zinc/53/73/12/1140537312.db2.gz MLGNPILAHSQTLP-VIFPVBQESA-N -1 3 342.262 3.508 20 0 EHADHM C[C@@H]1C[C@@H]1c1cc(NC(=O)c2cc([O-])ccc2C(F)(F)F)n[nH]1 ZINC000616440682 479908199 /nfs/dbraw/zinc/90/81/99/479908199.db2.gz MHUATIKEWKWGIV-APPZFPTMSA-N -1 3 325.290 3.510 20 0 EHADHM O=C([O-])C[C@H]1CCCN(Cc2ccccc2Br)CC1 ZINC000299745877 564150613 /nfs/dbraw/zinc/15/06/13/564150613.db2.gz TTZKQIADVQQEOP-LBPRGKRZSA-N -1 3 326.234 3.526 20 0 EHADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1csc(C(C)(C)C)n1 ZINC000822137080 599389727 /nfs/dbraw/zinc/38/97/27/599389727.db2.gz UPTVRZDNNXVLER-UHFFFAOYSA-N -1 3 343.456 3.817 20 0 EHADHM C[C@]1(c2ccccc2)C[C@@H]1Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000820633481 599038054 /nfs/dbraw/zinc/03/80/54/599038054.db2.gz BZPJAOYSKCGZIP-FXAWDEMLSA-N -1 3 342.406 3.557 20 0 EHADHM C[C@]1(c2ccccc2)C[C@@H]1Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000820633481 599038055 /nfs/dbraw/zinc/03/80/55/599038055.db2.gz BZPJAOYSKCGZIP-FXAWDEMLSA-N -1 3 342.406 3.557 20 0 EHADHM C[C@@H]1CCCC[C@H]1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736270298 599048968 /nfs/dbraw/zinc/04/89/68/599048968.db2.gz JLPPYGCAXVSMRM-ZJUUUORDSA-N -1 3 340.353 3.519 20 0 EHADHM C[C@@H]1CCCC[C@H]1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736270298 599048972 /nfs/dbraw/zinc/04/89/72/599048972.db2.gz JLPPYGCAXVSMRM-ZJUUUORDSA-N -1 3 340.353 3.519 20 0 EHADHM Cc1c2ccccc2oc1CNc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000737210729 599058661 /nfs/dbraw/zinc/05/86/61/599058661.db2.gz HIAWTKZVJYKTEJ-UHFFFAOYSA-N -1 3 341.321 3.812 20 0 EHADHM Cc1c2ccccc2oc1CNc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000737210729 599058663 /nfs/dbraw/zinc/05/86/63/599058663.db2.gz HIAWTKZVJYKTEJ-UHFFFAOYSA-N -1 3 341.321 3.812 20 0 EHADHM Cc1cccc([C@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)c1C ZINC000737386926 599065998 /nfs/dbraw/zinc/06/59/98/599065998.db2.gz FXJDUFXCHPPPFY-NSHDSACASA-N -1 3 328.807 3.705 20 0 EHADHM Cc1cccc([C@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)c1C ZINC000737386926 599066000 /nfs/dbraw/zinc/06/60/00/599066000.db2.gz FXJDUFXCHPPPFY-NSHDSACASA-N -1 3 328.807 3.705 20 0 EHADHM CCc1c(C)sc(NC(=O)[C@@H]2CCC[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000736669738 599072654 /nfs/dbraw/zinc/07/26/54/599072654.db2.gz IZBHHIKTUIQGPJ-MWLCHTKSSA-N -1 3 333.461 3.564 20 0 EHADHM CCc1c(C)sc(NC(=O)[C@@H]2CCC[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000736669738 599072657 /nfs/dbraw/zinc/07/26/57/599072657.db2.gz IZBHHIKTUIQGPJ-MWLCHTKSSA-N -1 3 333.461 3.564 20 0 EHADHM Cc1ccc([C@@H]2OCCC[C@H]2CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233556 599108437 /nfs/dbraw/zinc/10/84/37/599108437.db2.gz RGLJLXJKNOIYTH-HKUYNNGSSA-N -1 3 349.438 3.755 20 0 EHADHM CC(C)Oc1ccccc1CSc1ccccc1-c1nnn[n-]1 ZINC000735913632 599109359 /nfs/dbraw/zinc/10/93/59/599109359.db2.gz LLXYUBLDAOUQSB-UHFFFAOYSA-N -1 3 326.425 3.946 20 0 EHADHM CC(C)Oc1ccccc1CSc1ccccc1-c1nn[n-]n1 ZINC000735913632 599109360 /nfs/dbraw/zinc/10/93/60/599109360.db2.gz LLXYUBLDAOUQSB-UHFFFAOYSA-N -1 3 326.425 3.946 20 0 EHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cc(Cl)ccc1Cl ZINC000736818818 599130939 /nfs/dbraw/zinc/13/09/39/599130939.db2.gz XVAYMOLUDLYFFN-UHFFFAOYSA-N -1 3 348.237 3.806 20 0 EHADHM CCCCCC[C@@](C)(CC)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000821048971 599137085 /nfs/dbraw/zinc/13/70/85/599137085.db2.gz HQDOVOHWUVZHGU-LJQANCHMSA-N -1 3 343.475 3.870 20 0 EHADHM CCCCCC[C@@](C)(CC)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000821048971 599137087 /nfs/dbraw/zinc/13/70/87/599137087.db2.gz HQDOVOHWUVZHGU-LJQANCHMSA-N -1 3 343.475 3.870 20 0 EHADHM COc1cccc(CCCSc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737132431 599169592 /nfs/dbraw/zinc/16/95/92/599169592.db2.gz XLKBVSKZLQESCN-UHFFFAOYSA-N -1 3 344.415 3.739 20 0 EHADHM COc1cccc(CCCSc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737132431 599169593 /nfs/dbraw/zinc/16/95/93/599169593.db2.gz XLKBVSKZLQESCN-UHFFFAOYSA-N -1 3 344.415 3.739 20 0 EHADHM C[C@H]1CCCC[C@H]1OCCSc1ccc(-c2nnn[n-]2)cc1F ZINC000736269444 599171271 /nfs/dbraw/zinc/17/12/71/599171271.db2.gz GWJRLHQCZVEPGU-SMDDNHRTSA-N -1 3 336.436 3.693 20 0 EHADHM C[C@H]1CCCC[C@H]1OCCSc1ccc(-c2nn[n-]n2)cc1F ZINC000736269444 599171273 /nfs/dbraw/zinc/17/12/73/599171273.db2.gz GWJRLHQCZVEPGU-SMDDNHRTSA-N -1 3 336.436 3.693 20 0 EHADHM CCCC[C@@H](CC)CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736440022 599221352 /nfs/dbraw/zinc/22/13/52/599221352.db2.gz WZOXQXNCTRZZQG-ZIAGYGMSSA-N -1 3 329.448 3.650 20 0 EHADHM CCCC[C@@H](CC)CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736440022 599221353 /nfs/dbraw/zinc/22/13/53/599221353.db2.gz WZOXQXNCTRZZQG-ZIAGYGMSSA-N -1 3 329.448 3.650 20 0 EHADHM C[C@@H](OC(=O)CCCSC(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000824712781 607836501 /nfs/dbraw/zinc/83/65/01/607836501.db2.gz DADFTEPXFVHGKY-GFCCVEGCSA-N -1 3 348.472 3.783 20 0 EHADHM C[C@@H](OC(=O)CCCSC(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000824712781 607836502 /nfs/dbraw/zinc/83/65/02/607836502.db2.gz DADFTEPXFVHGKY-GFCCVEGCSA-N -1 3 348.472 3.783 20 0 EHADHM Cc1c(NC(=O)N(C)C2CCC(C)(C)CC2)cccc1-c1nnn[n-]1 ZINC000822077820 607285477 /nfs/dbraw/zinc/28/54/77/607285477.db2.gz YRPRZLHZHQNQCU-UHFFFAOYSA-N -1 3 342.447 3.608 20 0 EHADHM Cc1c(NC(=O)N(C)C2CCC(C)(C)CC2)cccc1-c1nn[n-]n1 ZINC000822077820 607285478 /nfs/dbraw/zinc/28/54/78/607285478.db2.gz YRPRZLHZHQNQCU-UHFFFAOYSA-N -1 3 342.447 3.608 20 0 EHADHM Cc1c(NC(=O)c2csc3ccccc23)cccc1-c1nnn[n-]1 ZINC000822116447 607294171 /nfs/dbraw/zinc/29/41/71/607294171.db2.gz REJZZZUGVKXMJR-UHFFFAOYSA-N -1 3 335.392 3.642 20 0 EHADHM Cc1c(NC(=O)c2csc3ccccc23)cccc1-c1nn[n-]n1 ZINC000822116447 607294172 /nfs/dbraw/zinc/29/41/72/607294172.db2.gz REJZZZUGVKXMJR-UHFFFAOYSA-N -1 3 335.392 3.642 20 0 EHADHM c1csc(-c2cccc(NCc3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000823757998 607313616 /nfs/dbraw/zinc/31/36/16/607313616.db2.gz ZMSJZNNJQFJXMA-UHFFFAOYSA-N -1 3 334.408 3.602 20 0 EHADHM c1csc(-c2cccc(NCc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000823757998 607313617 /nfs/dbraw/zinc/31/36/17/607313617.db2.gz ZMSJZNNJQFJXMA-UHFFFAOYSA-N -1 3 334.408 3.602 20 0 EHADHM C[C@@H](Sc1nc2ccccc2n1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736189743 599285066 /nfs/dbraw/zinc/28/50/66/599285066.db2.gz BTFLDDXRSUPDLU-LLVKDONJSA-N -1 3 336.424 3.607 20 0 EHADHM C[C@@H](Sc1nc2ccccc2n1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189743 599285068 /nfs/dbraw/zinc/28/50/68/599285068.db2.gz BTFLDDXRSUPDLU-LLVKDONJSA-N -1 3 336.424 3.607 20 0 EHADHM c1ccc(-c2ccc(CSc3cnccn3)cc2)c(-c2nnn[n-]2)c1 ZINC000738424189 599285503 /nfs/dbraw/zinc/28/55/03/599285503.db2.gz XCAMTNXMWOMPLY-UHFFFAOYSA-N -1 3 346.419 3.616 20 0 EHADHM c1ccc(-c2ccc(CSc3cnccn3)cc2)c(-c2nn[n-]n2)c1 ZINC000738424189 599285507 /nfs/dbraw/zinc/28/55/07/599285507.db2.gz XCAMTNXMWOMPLY-UHFFFAOYSA-N -1 3 346.419 3.616 20 0 EHADHM C[C@H](SC[C@H]1CC1(Cl)Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192495 599289550 /nfs/dbraw/zinc/28/95/50/599289550.db2.gz ZQFGWJBGQKVSRS-GZMMTYOYSA-N -1 3 329.256 3.855 20 0 EHADHM C[C@H](SC[C@H]1CC1(Cl)Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192495 599289553 /nfs/dbraw/zinc/28/95/53/599289553.db2.gz ZQFGWJBGQKVSRS-GZMMTYOYSA-N -1 3 329.256 3.855 20 0 EHADHM CCC(CC)n1ccc(COc2cc(Cl)ccc2-c2nnn[n-]2)n1 ZINC000820898314 607327250 /nfs/dbraw/zinc/32/72/50/607327250.db2.gz YZKKKXRQHAOKPZ-UHFFFAOYSA-N -1 3 346.822 3.657 20 0 EHADHM CCC(CC)n1ccc(COc2cc(Cl)ccc2-c2nn[n-]n2)n1 ZINC000820898314 607327251 /nfs/dbraw/zinc/32/72/51/607327251.db2.gz YZKKKXRQHAOKPZ-UHFFFAOYSA-N -1 3 346.822 3.657 20 0 EHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1OC(F)F ZINC000736138698 598236817 /nfs/dbraw/zinc/23/68/17/598236817.db2.gz OFVOVPINMDOVFV-SECBINFHSA-N -1 3 349.316 3.780 20 0 EHADHM CC(C)COc1ccccc1CNc1ccc(-c2nn[n-]n2)cc1F ZINC000735845258 598240047 /nfs/dbraw/zinc/24/00/47/598240047.db2.gz UKEUCAVLEMBPQM-UHFFFAOYSA-N -1 3 341.390 3.653 20 0 EHADHM c1ccc(Oc2ccc(CNc3ccc(-c4nnn[n-]4)cn3)cc2)cc1 ZINC000738432521 598245891 /nfs/dbraw/zinc/24/58/91/598245891.db2.gz GRARNIAQGHFHKK-UHFFFAOYSA-N -1 3 344.378 3.666 20 0 EHADHM c1ccc(Oc2ccc(CNc3ccc(-c4nn[n-]n4)cn3)cc2)cc1 ZINC000738432521 598245892 /nfs/dbraw/zinc/24/58/92/598245892.db2.gz GRARNIAQGHFHKK-UHFFFAOYSA-N -1 3 344.378 3.666 20 0 EHADHM CCCc1nc(CSCc2cc(-c3nnn[n-]3)ccc2F)cs1 ZINC000736495540 598313530 /nfs/dbraw/zinc/31/35/30/598313530.db2.gz NZFDCXYOPDYTBO-UHFFFAOYSA-N -1 3 349.460 3.848 20 0 EHADHM CCCc1nc(CSCc2cc(-c3nn[n-]n3)ccc2F)cs1 ZINC000736495540 598313531 /nfs/dbraw/zinc/31/35/31/598313531.db2.gz NZFDCXYOPDYTBO-UHFFFAOYSA-N -1 3 349.460 3.848 20 0 EHADHM C[C@@H]1CCN(Cc2cccc(-c3nnn[n-]3)c2)c2ccccc2S1 ZINC000736277844 598431142 /nfs/dbraw/zinc/43/11/42/598431142.db2.gz ZGBZXSJKXSTHPI-CYBMUJFWSA-N -1 3 337.452 3.758 20 0 EHADHM C[C@@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2)c2ccccc2S1 ZINC000736277844 598431144 /nfs/dbraw/zinc/43/11/44/598431144.db2.gz ZGBZXSJKXSTHPI-CYBMUJFWSA-N -1 3 337.452 3.758 20 0 EHADHM C[C@@H](OC(=O)c1ccc(F)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000736157717 598488710 /nfs/dbraw/zinc/48/87/10/598488710.db2.gz LJFGMBJBTBAEFY-SECBINFHSA-N -1 3 346.749 3.577 20 0 EHADHM C[C@@H](OC(=O)c1ccc(F)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000736157717 598488712 /nfs/dbraw/zinc/48/87/12/598488712.db2.gz LJFGMBJBTBAEFY-SECBINFHSA-N -1 3 346.749 3.577 20 0 EHADHM C[C@@H]1CCCN(c2ccccc2OCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736276001 598616579 /nfs/dbraw/zinc/61/65/79/598616579.db2.gz GAZUCOKUIIGXNW-OAHLLOKOSA-N -1 3 349.438 3.682 20 0 EHADHM C[C@@H]1CCCN(c2ccccc2OCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736276001 598616581 /nfs/dbraw/zinc/61/65/81/598616581.db2.gz GAZUCOKUIIGXNW-OAHLLOKOSA-N -1 3 349.438 3.682 20 0 EHADHM Clc1cccc(-c2nnn[n-]2)c1NCCCOCc1ccccc1 ZINC000737573954 598633465 /nfs/dbraw/zinc/63/34/65/598633465.db2.gz IBYVJVNLYSYWNV-UHFFFAOYSA-N -1 3 343.818 3.539 20 0 EHADHM Clc1cccc(-c2nn[n-]n2)c1NCCCOCc1ccccc1 ZINC000737573954 598633466 /nfs/dbraw/zinc/63/34/66/598633466.db2.gz IBYVJVNLYSYWNV-UHFFFAOYSA-N -1 3 343.818 3.539 20 0 EHADHM C(=Cc1ccc(-c2nnn[n-]2)cn1)c1csc(-c2cccs2)n1 ZINC000735401026 598640870 /nfs/dbraw/zinc/64/08/70/598640870.db2.gz VSWNJQPWVQNAMI-AATRIKPKSA-N -1 3 338.421 3.617 20 0 EHADHM C(=Cc1ccc(-c2nn[n-]n2)cn1)c1csc(-c2cccs2)n1 ZINC000735401026 598640872 /nfs/dbraw/zinc/64/08/72/598640872.db2.gz VSWNJQPWVQNAMI-AATRIKPKSA-N -1 3 338.421 3.617 20 0 EHADHM C[C@@H]1C[C@H]1c1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000736236255 598654321 /nfs/dbraw/zinc/65/43/21/598654321.db2.gz IVMBNSTZIKBTOM-NOZJJQNGSA-N -1 3 329.791 3.849 20 0 EHADHM C[C@@H]1C[C@H]1c1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000736236255 598654322 /nfs/dbraw/zinc/65/43/22/598654322.db2.gz IVMBNSTZIKBTOM-NOZJJQNGSA-N -1 3 329.791 3.849 20 0 EHADHM CC(C)(C)c1nc(CSc2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000735655654 598718568 /nfs/dbraw/zinc/71/85/68/598718568.db2.gz BSUYGRZVCOMYJC-UHFFFAOYSA-N -1 3 331.470 3.913 20 0 EHADHM CC(C)(C)c1nc(CSc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000735655654 598718569 /nfs/dbraw/zinc/71/85/69/598718569.db2.gz BSUYGRZVCOMYJC-UHFFFAOYSA-N -1 3 331.470 3.913 20 0 EHADHM CC(C)(C)CN(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735619563 598746406 /nfs/dbraw/zinc/74/64/06/598746406.db2.gz TUNVMLZTOMGCBO-UHFFFAOYSA-N -1 3 349.438 3.555 20 0 EHADHM CC(C)(C)CN(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735619563 598746407 /nfs/dbraw/zinc/74/64/07/598746407.db2.gz TUNVMLZTOMGCBO-UHFFFAOYSA-N -1 3 349.438 3.555 20 0 EHADHM CCS[C@@H]1CCCCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736663018 598748725 /nfs/dbraw/zinc/74/87/25/598748725.db2.gz ALPKSOTWQGRETD-GFCCVEGCSA-N -1 3 337.880 3.632 20 0 EHADHM CCS[C@@H]1CCCCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736663018 598748726 /nfs/dbraw/zinc/74/87/26/598748726.db2.gz ALPKSOTWQGRETD-GFCCVEGCSA-N -1 3 337.880 3.632 20 0 EHADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737418429 598765016 /nfs/dbraw/zinc/76/50/16/598765016.db2.gz APYFYRLRIUBPMJ-SFHVURJKSA-N -1 3 349.438 3.692 20 0 EHADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737418429 598765018 /nfs/dbraw/zinc/76/50/18/598765018.db2.gz APYFYRLRIUBPMJ-SFHVURJKSA-N -1 3 349.438 3.692 20 0 EHADHM C[C@@H](OC(=O)c1cccc(C(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736163032 598798785 /nfs/dbraw/zinc/79/87/85/598798785.db2.gz LCGRYJJUPHYKAQ-SNVBAGLBSA-N -1 3 344.321 3.722 20 0 EHADHM C[C@@H](OC(=O)c1cccc(C(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736163032 598798786 /nfs/dbraw/zinc/79/87/86/598798786.db2.gz LCGRYJJUPHYKAQ-SNVBAGLBSA-N -1 3 344.321 3.722 20 0 EHADHM CCN(C(=O)c1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736508348 599312929 /nfs/dbraw/zinc/31/29/29/599312929.db2.gz KFNMWOBAZAPERK-UHFFFAOYSA-N -1 3 343.390 3.687 20 0 EHADHM CCN(C(=O)c1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736508348 599312931 /nfs/dbraw/zinc/31/29/31/599312931.db2.gz KFNMWOBAZAPERK-UHFFFAOYSA-N -1 3 343.390 3.687 20 0 EHADHM C[C@H](SCc1nc(C(C)(C)C)no1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192744 599326116 /nfs/dbraw/zinc/32/61/16/599326116.db2.gz LZRRKLWDOMWJLI-JTQLQIEISA-N -1 3 344.444 3.542 20 0 EHADHM C[C@H](SCc1nc(C(C)(C)C)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192744 599326119 /nfs/dbraw/zinc/32/61/19/599326119.db2.gz LZRRKLWDOMWJLI-JTQLQIEISA-N -1 3 344.444 3.542 20 0 EHADHM COc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000821835952 599364010 /nfs/dbraw/zinc/36/40/10/599364010.db2.gz VERRCEYWRVTHDZ-JTQLQIEISA-N -1 3 329.791 3.702 20 0 EHADHM COc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000821835952 599364013 /nfs/dbraw/zinc/36/40/13/599364013.db2.gz VERRCEYWRVTHDZ-JTQLQIEISA-N -1 3 329.791 3.702 20 0 EHADHM C[C@@H](Nc1cccc(OC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820461410 599364945 /nfs/dbraw/zinc/36/49/45/599364945.db2.gz JNDWWUUKXKPCNG-SNVBAGLBSA-N -1 3 349.316 3.938 20 0 EHADHM C[C@@H](Nc1cccc(OC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461410 599364948 /nfs/dbraw/zinc/36/49/48/599364948.db2.gz JNDWWUUKXKPCNG-SNVBAGLBSA-N -1 3 349.316 3.938 20 0 EHADHM Clc1ccc(-c2nnn[n-]2)c(N2CCC(c3ccccc3)CC2)c1 ZINC000737571071 599402889 /nfs/dbraw/zinc/40/28/89/599402889.db2.gz QKKCGOHDDPYNCH-UHFFFAOYSA-N -1 3 339.830 3.904 20 0 EHADHM Clc1ccc(-c2nn[n-]n2)c(N2CCC(c3ccccc3)CC2)c1 ZINC000737571071 599402892 /nfs/dbraw/zinc/40/28/92/599402892.db2.gz QKKCGOHDDPYNCH-UHFFFAOYSA-N -1 3 339.830 3.904 20 0 EHADHM Cc1ccc([C@@H]2CCCN2c2cc(-c3nnn[n-]3)c3ccccc3n2)o1 ZINC000737330365 599441093 /nfs/dbraw/zinc/44/10/93/599441093.db2.gz JFBKERUUEMHKJG-INIZCTEOSA-N -1 3 346.394 3.658 20 0 EHADHM Cc1ccc([C@@H]2CCCN2c2cc(-c3nn[n-]n3)c3ccccc3n2)o1 ZINC000737330365 599441095 /nfs/dbraw/zinc/44/10/95/599441095.db2.gz JFBKERUUEMHKJG-INIZCTEOSA-N -1 3 346.394 3.658 20 0 EHADHM CCC1CCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CC1 ZINC000820989297 599487262 /nfs/dbraw/zinc/48/72/62/599487262.db2.gz PZMIBZMIHSLXLM-UHFFFAOYSA-N -1 3 342.834 3.695 20 0 EHADHM CCC1CCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CC1 ZINC000820989297 599487264 /nfs/dbraw/zinc/48/72/64/599487264.db2.gz PZMIBZMIHSLXLM-UHFFFAOYSA-N -1 3 342.834 3.695 20 0 EHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCC(C)(C)C ZINC000735830691 599541334 /nfs/dbraw/zinc/54/13/34/599541334.db2.gz HVXCXXRUQQBGRN-UHFFFAOYSA-N -1 3 343.475 3.678 20 0 EHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCC(C)(C)C ZINC000735830691 599541336 /nfs/dbraw/zinc/54/13/36/599541336.db2.gz HVXCXXRUQQBGRN-UHFFFAOYSA-N -1 3 343.475 3.678 20 0 EHADHM C[C@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)C1CCCCC1 ZINC000820461566 599578922 /nfs/dbraw/zinc/57/89/22/599578922.db2.gz MPJDKJZIFIFBDQ-VIFPVBQESA-N -1 3 340.353 3.661 20 0 EHADHM C[C@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)C1CCCCC1 ZINC000820461566 599578925 /nfs/dbraw/zinc/57/89/25/599578925.db2.gz MPJDKJZIFIFBDQ-VIFPVBQESA-N -1 3 340.353 3.661 20 0 EHADHM CCC(C)(C)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000820847791 599689754 /nfs/dbraw/zinc/68/97/54/599689754.db2.gz LYRKIEHXEXSPPU-SNVBAGLBSA-N -1 3 347.488 3.818 20 0 EHADHM CCC(C)(C)CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000820847791 599689755 /nfs/dbraw/zinc/68/97/55/599689755.db2.gz LYRKIEHXEXSPPU-SNVBAGLBSA-N -1 3 347.488 3.818 20 0 EHADHM COCCN(Cc1ccc(F)cc1C(=O)[O-])[C@@H](C)c1ccccc1 ZINC000737800675 600090310 /nfs/dbraw/zinc/09/03/10/600090310.db2.gz ZWGGZYGJHWMLJQ-AWEZNQCLSA-N -1 3 331.387 3.734 20 0 EHADHM CC[C@](NCc1ccccc1OC(C)C)(C(=O)[O-])c1ccccc1 ZINC000736919995 600130591 /nfs/dbraw/zinc/13/05/91/600130591.db2.gz FXZWMRDEIFTFSE-HXUWFJFHSA-N -1 3 327.424 3.954 20 0 EHADHM CC(C)[C@@H](CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824193179 607434333 /nfs/dbraw/zinc/43/43/33/607434333.db2.gz ULNAFQJDCPXAGJ-GOSISDBHSA-N -1 3 349.438 3.659 20 0 EHADHM CC(C)[C@@H](CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824193179 607434334 /nfs/dbraw/zinc/43/43/34/607434334.db2.gz ULNAFQJDCPXAGJ-GOSISDBHSA-N -1 3 349.438 3.659 20 0 EHADHM O=C([O-])CCN(C/C=C\c1ccccc1)Cc1ccc(F)c(F)c1 ZINC000739724084 600375922 /nfs/dbraw/zinc/37/59/22/600375922.db2.gz GIDUWCFTBPFLBJ-DAXSKMNVSA-N -1 3 331.362 3.955 20 0 EHADHM O=C([O-])[C@H](NCc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000739501817 600419934 /nfs/dbraw/zinc/41/99/34/600419934.db2.gz ZNEWVFYLTXDTJQ-CQSZACIVSA-N -1 3 327.277 3.760 20 0 EHADHM CCCOc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2ccccc2)cc1OC ZINC000737032287 600424334 /nfs/dbraw/zinc/42/43/34/600424334.db2.gz YPRQONXAFAXYIT-AUUYWEPGSA-N -1 3 343.423 3.961 20 0 EHADHM CC(C)(C)Oc1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000736286478 600428592 /nfs/dbraw/zinc/42/85/92/600428592.db2.gz QTBJRDZFRGFWQU-QGZVFWFLSA-N -1 3 331.387 3.919 20 0 EHADHM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000572609694 600629764 /nfs/dbraw/zinc/62/97/64/600629764.db2.gz ZONGOXHVNOTJDI-GOSISDBHSA-N -1 3 347.361 3.634 20 0 EHADHM C[C@@H]1CCN(CCOc2cccc(C(=O)[O-])c2)[C@@H](c2ccco2)C1 ZINC000580898368 600861833 /nfs/dbraw/zinc/86/18/33/600861833.db2.gz XSDIZMOYCLKPBQ-RHSMWYFYSA-N -1 3 329.396 3.830 20 0 EHADHM CC[C@H](C)Oc1cccc(NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000820875906 607476893 /nfs/dbraw/zinc/47/68/93/607476893.db2.gz IFSRUBNPEWBPGM-LBPRGKRZSA-N -1 3 341.390 3.795 20 0 EHADHM CC[C@H](C)Oc1cccc(NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000820875906 607476894 /nfs/dbraw/zinc/47/68/94/607476894.db2.gz IFSRUBNPEWBPGM-LBPRGKRZSA-N -1 3 341.390 3.795 20 0 EHADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1nc2ccccc2n1C(F)F ZINC000248513551 600986722 /nfs/dbraw/zinc/98/67/22/600986722.db2.gz DIJGLYUFBPVBJT-WHOFXGATSA-N -1 3 349.381 3.649 20 0 EHADHM Cc1nc(C2CCN([C@@H](C(=O)[O-])c3ccccc3F)CC2)sc1C ZINC000832996756 600993894 /nfs/dbraw/zinc/99/38/94/600993894.db2.gz DJULVTLWDLZSGE-MRXNPFEDSA-N -1 3 348.443 3.904 20 0 EHADHM CCOC[C@H]1CCCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000567510289 602041254 /nfs/dbraw/zinc/04/12/54/602041254.db2.gz YQJWKJIBVZCHSA-NHYWBVRUSA-N -1 3 346.254 3.868 20 0 EHADHM COc1ccc(CNc2ccc(C(F)(F)F)cc2)cc1-c1nnn[n-]1 ZINC000826204119 607545590 /nfs/dbraw/zinc/54/55/90/607545590.db2.gz YPNBTRWBZWIESL-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM COc1ccc(CNc2ccc(C(F)(F)F)cc2)cc1-c1nn[n-]n1 ZINC000826204119 607545592 /nfs/dbraw/zinc/54/55/92/607545592.db2.gz YPNBTRWBZWIESL-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM COc1cc(OC)cc([C@@H](N[C@H](C)c2cccc(Cl)c2)C(=O)[O-])c1 ZINC000832050099 602164300 /nfs/dbraw/zinc/16/43/00/602164300.db2.gz MICZBBOECMGHBX-PIGZYNQJSA-N -1 3 349.814 3.834 20 0 EHADHM CCC(CC)(CC(=O)[O-])NCc1coc(-c2ccc(F)c(F)c2)n1 ZINC000828803947 602210679 /nfs/dbraw/zinc/21/06/79/602210679.db2.gz DWUCTVQQPMIDMT-UHFFFAOYSA-N -1 3 338.354 3.743 20 0 EHADHM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1cccc(Br)c1 ZINC000235214783 602231363 /nfs/dbraw/zinc/23/13/63/602231363.db2.gz PXMXEMYLSNMRIE-LLVKDONJSA-N -1 3 334.213 3.998 20 0 EHADHM COc1ccccc1-c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826217994 607644254 /nfs/dbraw/zinc/64/42/54/607644254.db2.gz KQOGPKROZNNXQO-UHFFFAOYSA-N -1 3 335.392 3.666 20 0 EHADHM COc1ccccc1-c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826217994 607644256 /nfs/dbraw/zinc/64/42/56/607644256.db2.gz KQOGPKROZNNXQO-UHFFFAOYSA-N -1 3 335.392 3.666 20 0 EHADHM C[C@@H](Oc1ccc(CN2CCCC[C@H]2c2cccn2C)cc1)C(=O)[O-] ZINC000833538460 604679372 /nfs/dbraw/zinc/67/93/72/604679372.db2.gz COELITAKWXQDFG-BEFAXECRSA-N -1 3 342.439 3.604 20 0 EHADHM COc1c(C)cnc(CN(CCCC(=O)[O-])Cc2ccccc2)c1C ZINC000566366447 604799927 /nfs/dbraw/zinc/79/99/27/604799927.db2.gz BYFHKVQCHYYHSE-UHFFFAOYSA-N -1 3 342.439 3.574 20 0 EHADHM C[C@]1(NCc2nnc(-c3ccc(Cl)cc3)o2)CCCC[C@@H]1C(=O)[O-] ZINC000833570940 604819268 /nfs/dbraw/zinc/81/92/68/604819268.db2.gz WQQSOIYGFKOZBY-DYVFJYSZSA-N -1 3 349.818 3.513 20 0 EHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC(OCc2ccccc2F)CC1 ZINC000833545930 605057879 /nfs/dbraw/zinc/05/78/79/605057879.db2.gz CGUTTYYFYDKEPJ-ZDUSSCGKSA-N -1 3 347.386 3.859 20 0 EHADHM C[C@@H](NC(=O)[O-])c1ccc(CN[C@@H]2CCc3cc(F)ccc32)cc1 ZINC000825398115 605117793 /nfs/dbraw/zinc/11/77/93/605117793.db2.gz UEKREQOULKYZKF-KZULUSFZSA-N -1 3 328.387 3.931 20 0 EHADHM C[C@H](NC(=O)C[C@H]1CCCCC1(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000824479661 607745378 /nfs/dbraw/zinc/74/53/78/607745378.db2.gz PJAFCYJOCDJPHU-XJKSGUPXSA-N -1 3 341.459 3.650 20 0 EHADHM C[C@H](NC(=O)C[C@H]1CCCCC1(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000824479661 607745379 /nfs/dbraw/zinc/74/53/79/607745379.db2.gz PJAFCYJOCDJPHU-XJKSGUPXSA-N -1 3 341.459 3.650 20 0 EHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)Nc1cccc2ccsc21 ZINC000826456467 607758035 /nfs/dbraw/zinc/75/80/35/607758035.db2.gz FZDRABVNVPMRMY-UHFFFAOYSA-N -1 3 336.380 3.725 20 0 EHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)Nc1cccc2ccsc21 ZINC000826456467 607758036 /nfs/dbraw/zinc/75/80/36/607758036.db2.gz FZDRABVNVPMRMY-UHFFFAOYSA-N -1 3 336.380 3.725 20 0 EHADHM C[C@H](C[C@@H]1CCCN1C(=O)[O-])N[C@H](c1ccccc1)c1ccccn1 ZINC000824767946 605481816 /nfs/dbraw/zinc/48/18/16/605481816.db2.gz LIQZZYHVYIWYNS-HHXXYDBFSA-N -1 3 339.439 3.682 20 0 EHADHM O=C([O-])N[C@@H]1C[C@H](NCc2ccc(OC(F)F)cc2)c2ccccc21 ZINC000834157835 605789182 /nfs/dbraw/zinc/78/91/82/605789182.db2.gz KZOKIGYNXAYOOS-JKSUJKDBSA-N -1 3 348.349 3.831 20 0 EHADHM c1ccc(C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)c2ccccc2)cc1 ZINC000823780365 606036103 /nfs/dbraw/zinc/03/61/03/606036103.db2.gz RUICKKAXTQEKBM-LJQANCHMSA-N -1 3 342.406 3.658 20 0 EHADHM c1ccc(C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)c2ccccc2)cc1 ZINC000823780365 606036108 /nfs/dbraw/zinc/03/61/08/606036108.db2.gz RUICKKAXTQEKBM-LJQANCHMSA-N -1 3 342.406 3.658 20 0 EHADHM Fc1cc(-c2nnn[n-]2)ccc1CN1CC[C@H]1c1ccc(Cl)cc1 ZINC000822741045 606099020 /nfs/dbraw/zinc/09/90/20/606099020.db2.gz QOBPTFIHLHPKGU-INIZCTEOSA-N -1 3 343.793 3.606 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1CN1CC[C@H]1c1ccc(Cl)cc1 ZINC000822741045 606099023 /nfs/dbraw/zinc/09/90/23/606099023.db2.gz QOBPTFIHLHPKGU-INIZCTEOSA-N -1 3 343.793 3.606 20 0 EHADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)C1CCCC1 ZINC000819877157 606121728 /nfs/dbraw/zinc/12/17/28/606121728.db2.gz PWEAXUKROSLSNA-SNVBAGLBSA-N -1 3 345.472 3.572 20 0 EHADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)C1CCCC1 ZINC000819877157 606121729 /nfs/dbraw/zinc/12/17/29/606121729.db2.gz PWEAXUKROSLSNA-SNVBAGLBSA-N -1 3 345.472 3.572 20 0 EHADHM Clc1cc(-c2nnn[n-]2)cnc1Oc1cccc2c1CCCC2 ZINC000822568045 606139756 /nfs/dbraw/zinc/13/97/56/606139756.db2.gz KTBPXRQYRPGLOV-UHFFFAOYSA-N -1 3 327.775 3.586 20 0 EHADHM Clc1cc(-c2nn[n-]n2)cnc1Oc1cccc2c1CCCC2 ZINC000822568045 606139757 /nfs/dbraw/zinc/13/97/57/606139757.db2.gz KTBPXRQYRPGLOV-UHFFFAOYSA-N -1 3 327.775 3.586 20 0 EHADHM C[C@H](CC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C1CCCCC1 ZINC000820225150 606269978 /nfs/dbraw/zinc/26/99/78/606269978.db2.gz BWOGWRRCSJAWRD-LLVKDONJSA-N -1 3 331.395 3.551 20 0 EHADHM C[C@H](CC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C1CCCCC1 ZINC000820225150 606269980 /nfs/dbraw/zinc/26/99/80/606269980.db2.gz BWOGWRRCSJAWRD-LLVKDONJSA-N -1 3 331.395 3.551 20 0 EHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cc2sccc2s1 ZINC000823344091 606272074 /nfs/dbraw/zinc/27/20/74/606272074.db2.gz QDRZLCTXKURTGT-UHFFFAOYSA-N -1 3 345.384 3.534 20 0 EHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cc2sccc2s1 ZINC000823344091 606272076 /nfs/dbraw/zinc/27/20/76/606272076.db2.gz QDRZLCTXKURTGT-UHFFFAOYSA-N -1 3 345.384 3.534 20 0 EHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CC1=CCCCC1 ZINC000821118221 606281358 /nfs/dbraw/zinc/28/13/58/606281358.db2.gz JCEXVPRWYIWKDZ-UHFFFAOYSA-N -1 3 340.431 3.518 20 0 EHADHM CCC(CC)N(CC(C)C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820897798 606324229 /nfs/dbraw/zinc/32/42/29/606324229.db2.gz OBBJYPRBIBEZAB-QXMHVHEDSA-N -1 3 341.459 3.553 20 0 EHADHM CCC(CC)N(CC(C)C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820897798 606324230 /nfs/dbraw/zinc/32/42/30/606324230.db2.gz OBBJYPRBIBEZAB-QXMHVHEDSA-N -1 3 341.459 3.553 20 0 EHADHM CC[C@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000820925119 606441717 /nfs/dbraw/zinc/44/17/17/606441717.db2.gz DQGQHHSURSUEDK-HNNXBMFYSA-N -1 3 327.363 3.578 20 0 EHADHM CC[C@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000820925119 606441718 /nfs/dbraw/zinc/44/17/18/606441718.db2.gz DQGQHHSURSUEDK-HNNXBMFYSA-N -1 3 327.363 3.578 20 0 EHADHM CCCCc1ccc(N(C)C(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821077521 606529720 /nfs/dbraw/zinc/52/97/20/606529720.db2.gz JQWPMBFTQIHHKR-UHFFFAOYSA-N -1 3 341.440 3.547 20 0 EHADHM CCCCc1ccc(N(C)C(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821077521 606529721 /nfs/dbraw/zinc/52/97/21/606529721.db2.gz JQWPMBFTQIHHKR-UHFFFAOYSA-N -1 3 341.440 3.547 20 0 EHADHM Fc1cccc(NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1-c1nnn[n-]1 ZINC000822792173 606595826 /nfs/dbraw/zinc/59/58/26/606595826.db2.gz QDSIUEAXAOXDTA-NXEZZACHSA-N -1 3 343.328 3.786 20 0 EHADHM Fc1cccc(NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1-c1nn[n-]n1 ZINC000822792173 606595827 /nfs/dbraw/zinc/59/58/27/606595827.db2.gz QDSIUEAXAOXDTA-NXEZZACHSA-N -1 3 343.328 3.786 20 0 EHADHM C[C@@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)c1nc(C2CC2)no1 ZINC000820555893 606628551 /nfs/dbraw/zinc/62/85/51/606628551.db2.gz QOQGDFGMRNGOJU-SSDOTTSWSA-N -1 3 348.819 3.634 20 0 EHADHM C[C@@H](Sc1ccc(Cl)cc1-c1nn[n-]n1)c1nc(C2CC2)no1 ZINC000820555893 606628552 /nfs/dbraw/zinc/62/85/52/606628552.db2.gz QOQGDFGMRNGOJU-SSDOTTSWSA-N -1 3 348.819 3.634 20 0 EHADHM Clc1ccc(SCc2ccc(Cl)nc2)c(-c2nnn[n-]2)c1 ZINC000822578330 606631063 /nfs/dbraw/zinc/63/10/63/606631063.db2.gz GWJKBTHNHDVXHF-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM Clc1ccc(SCc2ccc(Cl)nc2)c(-c2nn[n-]n2)c1 ZINC000822578330 606631065 /nfs/dbraw/zinc/63/10/65/606631065.db2.gz GWJKBTHNHDVXHF-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM Cc1ncsc1CCSc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000822481761 606631108 /nfs/dbraw/zinc/63/11/08/606631108.db2.gz FSJVPVLXWXSFSN-UHFFFAOYSA-N -1 3 337.861 3.620 20 0 EHADHM Cc1ncsc1CCSc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000822481761 606631111 /nfs/dbraw/zinc/63/11/11/606631111.db2.gz FSJVPVLXWXSFSN-UHFFFAOYSA-N -1 3 337.861 3.620 20 0 EHADHM CC(C)Sc1ccccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000820184187 606707809 /nfs/dbraw/zinc/70/78/09/606707809.db2.gz WFSKELLALNUJLM-UHFFFAOYSA-N -1 3 325.441 3.979 20 0 EHADHM CC(C)Sc1ccccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000820184187 606707810 /nfs/dbraw/zinc/70/78/10/606707810.db2.gz WFSKELLALNUJLM-UHFFFAOYSA-N -1 3 325.441 3.979 20 0 EHADHM CSCc1cc(F)ccc1CNc1cccc(F)c1-c1nnn[n-]1 ZINC000821969447 606725104 /nfs/dbraw/zinc/72/51/04/606725104.db2.gz APYXTFBQAUTERY-UHFFFAOYSA-N -1 3 347.394 3.620 20 0 EHADHM CSCc1cc(F)ccc1CNc1cccc(F)c1-c1nn[n-]n1 ZINC000821969447 606725105 /nfs/dbraw/zinc/72/51/05/606725105.db2.gz APYXTFBQAUTERY-UHFFFAOYSA-N -1 3 347.394 3.620 20 0 EHADHM FC(F)(F)c1cc(NC/C(Cl)=C\Cl)ccc1-c1nnn[n-]1 ZINC000822723660 606865378 /nfs/dbraw/zinc/86/53/78/606865378.db2.gz JZDUBJWHBDKLCO-GQCTYLIASA-N -1 3 338.120 3.616 20 0 EHADHM FC(F)(F)c1cc(NC/C(Cl)=C\Cl)ccc1-c1nn[n-]n1 ZINC000822723660 606865379 /nfs/dbraw/zinc/86/53/79/606865379.db2.gz JZDUBJWHBDKLCO-GQCTYLIASA-N -1 3 338.120 3.616 20 0 EHADHM Fc1ccc(-c2nnn[n-]2)c(CN2CC[C@H]2c2ccc(Cl)cc2)c1 ZINC000822757650 607071028 /nfs/dbraw/zinc/07/10/28/607071028.db2.gz BARVPTTYZYJSOL-INIZCTEOSA-N -1 3 343.793 3.606 20 0 EHADHM Fc1ccc(-c2nn[n-]n2)c(CN2CC[C@H]2c2ccc(Cl)cc2)c1 ZINC000822757650 607071031 /nfs/dbraw/zinc/07/10/31/607071031.db2.gz BARVPTTYZYJSOL-INIZCTEOSA-N -1 3 343.793 3.606 20 0 EHADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1cc2ccccc2o1 ZINC000821394527 607132477 /nfs/dbraw/zinc/13/24/77/607132477.db2.gz LGMLKJATLRCZRK-UHFFFAOYSA-N -1 3 336.351 3.591 20 0 EHADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1cc2ccccc2o1 ZINC000821394527 607132478 /nfs/dbraw/zinc/13/24/78/607132478.db2.gz LGMLKJATLRCZRK-UHFFFAOYSA-N -1 3 336.351 3.591 20 0 EHADHM O=C(Nc1sccc1-c1nnn[n-]1)c1ccc(-c2ccco2)s1 ZINC000823387663 607236152 /nfs/dbraw/zinc/23/61/52/607236152.db2.gz SWOWRYSFWNZIMW-UHFFFAOYSA-N -1 3 343.393 3.502 20 0 EHADHM O=C(Nc1sccc1-c1nn[n-]n1)c1ccc(-c2ccco2)s1 ZINC000823387663 607236153 /nfs/dbraw/zinc/23/61/53/607236153.db2.gz SWOWRYSFWNZIMW-UHFFFAOYSA-N -1 3 343.393 3.502 20 0 EHADHM c1csc(-c2nc(COc3ccc(-c4nn[n-]n4)cc3)cs2)c1 ZINC000826525985 607963717 /nfs/dbraw/zinc/96/37/17/607963717.db2.gz HCCOZRPRFCIXKX-UHFFFAOYSA-N -1 3 341.421 3.631 20 0 EHADHM C[C@@H](NC(=O)Nc1ccc(C2CC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824505827 608260244 /nfs/dbraw/zinc/26/02/44/608260244.db2.gz IAQOOUPXHSADJE-GFCCVEGCSA-N -1 3 348.410 3.627 20 0 EHADHM C[C@@H](NC(=O)Nc1ccc(C2CC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824505827 608260245 /nfs/dbraw/zinc/26/02/45/608260245.db2.gz IAQOOUPXHSADJE-GFCCVEGCSA-N -1 3 348.410 3.627 20 0 EHADHM COc1cc(-c2nnn[n-]2)ccc1CNc1cccc2ccsc21 ZINC000826170589 608320558 /nfs/dbraw/zinc/32/05/58/608320558.db2.gz HCJHQEHOPWMBPI-UHFFFAOYSA-N -1 3 337.408 3.702 20 0 EHADHM COc1cc(-c2nn[n-]n2)ccc1CNc1cccc2ccsc21 ZINC000826170589 608320560 /nfs/dbraw/zinc/32/05/60/608320560.db2.gz HCJHQEHOPWMBPI-UHFFFAOYSA-N -1 3 337.408 3.702 20 0 EHADHM CCC[C@@H](C)CC(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825234312 608344078 /nfs/dbraw/zinc/34/40/78/608344078.db2.gz YMYFPGLJVFUCDS-LLVKDONJSA-N -1 3 335.839 3.699 20 0 EHADHM CCC[C@@H](C)CC(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825234312 608344080 /nfs/dbraw/zinc/34/40/80/608344080.db2.gz YMYFPGLJVFUCDS-LLVKDONJSA-N -1 3 335.839 3.699 20 0 EHADHM CSc1cccc(NCc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000826230954 608390829 /nfs/dbraw/zinc/39/08/29/608390829.db2.gz QLQPZMDJNGUONT-UHFFFAOYSA-N -1 3 329.404 3.648 20 0 EHADHM CSc1cccc(NCc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000826230954 608390831 /nfs/dbraw/zinc/39/08/31/608390831.db2.gz QLQPZMDJNGUONT-UHFFFAOYSA-N -1 3 329.404 3.648 20 0 EHADHM Fc1ccc(CSCc2cccc(-c3nnn[n-]3)c2F)cc1F ZINC000826374949 608404745 /nfs/dbraw/zinc/40/47/45/608404745.db2.gz SZBFOYWBSNMIJL-UHFFFAOYSA-N -1 3 336.342 3.717 20 0 EHADHM Fc1ccc(CSCc2cccc(-c3nn[n-]n3)c2F)cc1F ZINC000826374949 608404746 /nfs/dbraw/zinc/40/47/46/608404746.db2.gz SZBFOYWBSNMIJL-UHFFFAOYSA-N -1 3 336.342 3.717 20 0 EHADHM CCCCc1nc(CN[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825296765 608486222 /nfs/dbraw/zinc/48/62/22/608486222.db2.gz VJIPLPMVAFPIPJ-LBPRGKRZSA-N -1 3 342.472 3.517 20 0 EHADHM Fc1cc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)cc(F)c1F ZINC000826372119 609200149 /nfs/dbraw/zinc/20/01/49/609200149.db2.gz IOECWAOKUOHXHD-UHFFFAOYSA-N -1 3 339.708 3.550 20 0 EHADHM Fc1cc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)cc(F)c1F ZINC000826372119 609200151 /nfs/dbraw/zinc/20/01/51/609200151.db2.gz IOECWAOKUOHXHD-UHFFFAOYSA-N -1 3 339.708 3.550 20 0 EHADHM C[C@H](Nc1ccc(OCC(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824658675 609243812 /nfs/dbraw/zinc/24/38/12/609243812.db2.gz ZZFXPBXDXDHDKB-NSHDSACASA-N -1 3 345.353 3.684 20 0 EHADHM C[C@H](Nc1ccc(OCC(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824658675 609243814 /nfs/dbraw/zinc/24/38/14/609243814.db2.gz ZZFXPBXDXDHDKB-NSHDSACASA-N -1 3 345.353 3.684 20 0 EHADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2ccc(CF)cc2)n1 ZINC000826263347 609267731 /nfs/dbraw/zinc/26/77/31/609267731.db2.gz WPNTZJUPMJMJKO-UHFFFAOYSA-N -1 3 329.404 3.640 20 0 EHADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2ccc(CF)cc2)n1 ZINC000826263347 609267732 /nfs/dbraw/zinc/26/77/32/609267732.db2.gz WPNTZJUPMJMJKO-UHFFFAOYSA-N -1 3 329.404 3.640 20 0 EHADHM Cc1ccc2cccc(N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)c2n1 ZINC000826295041 609274439 /nfs/dbraw/zinc/27/44/39/609274439.db2.gz NZVBBWNXXNQFTD-ZDUSSCGKSA-N -1 3 330.395 3.896 20 0 EHADHM Cc1ccc2cccc(N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)c2n1 ZINC000826295041 609274441 /nfs/dbraw/zinc/27/44/41/609274441.db2.gz NZVBBWNXXNQFTD-ZDUSSCGKSA-N -1 3 330.395 3.896 20 0 EHADHM CCOc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000825643289 609346377 /nfs/dbraw/zinc/34/63/77/609346377.db2.gz KZQFBEUYJRYGFA-SNVBAGLBSA-N -1 3 345.353 3.717 20 0 EHADHM CCOc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000825643289 609346378 /nfs/dbraw/zinc/34/63/78/609346378.db2.gz KZQFBEUYJRYGFA-SNVBAGLBSA-N -1 3 345.353 3.717 20 0 EHADHM CC(C)CN(C(=O)[C@@H](C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824255756 609479729 /nfs/dbraw/zinc/47/97/29/609479729.db2.gz WLKDOVADYSOVSZ-HNNXBMFYSA-N -1 3 349.438 3.659 20 0 EHADHM CC(C)CN(C(=O)[C@@H](C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824255756 609479734 /nfs/dbraw/zinc/47/97/34/609479734.db2.gz WLKDOVADYSOVSZ-HNNXBMFYSA-N -1 3 349.438 3.659 20 0 EHADHM CC(C)CN(C(=O)[C@H](C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824255757 609480383 /nfs/dbraw/zinc/48/03/83/609480383.db2.gz WLKDOVADYSOVSZ-OAHLLOKOSA-N -1 3 349.438 3.659 20 0 EHADHM CC(C)CN(C(=O)[C@H](C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824255757 609480385 /nfs/dbraw/zinc/48/03/85/609480385.db2.gz WLKDOVADYSOVSZ-OAHLLOKOSA-N -1 3 349.438 3.659 20 0 EHADHM CC(C)Sc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000354825868 944630321 /nfs/dbraw/zinc/63/03/21/944630321.db2.gz HMQAUAHZUSIYHX-UHFFFAOYSA-N -1 3 339.424 3.620 20 0 EHADHM CC(C)Sc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000354825868 944630332 /nfs/dbraw/zinc/63/03/32/944630332.db2.gz HMQAUAHZUSIYHX-UHFFFAOYSA-N -1 3 339.424 3.620 20 0 EHADHM CCOCCC1(CNc2ccc(Cl)cc2-c2nnn[n-]2)CCC1 ZINC000821373700 945686429 /nfs/dbraw/zinc/68/64/29/945686429.db2.gz LAGPGTNTTUQVDY-UHFFFAOYSA-N -1 3 335.839 3.529 20 0 EHADHM CCOCCC1(CNc2ccc(Cl)cc2-c2nn[n-]n2)CCC1 ZINC000821373700 945686436 /nfs/dbraw/zinc/68/64/36/945686436.db2.gz LAGPGTNTTUQVDY-UHFFFAOYSA-N -1 3 335.839 3.529 20 0 EHADHM COc1ccccc1C[C@@H](C)N(C)Cc1cc(C(=O)[O-])ccc1F ZINC000324899790 971167862 /nfs/dbraw/zinc/16/78/62/971167862.db2.gz NSNHIROPRASSBT-CYBMUJFWSA-N -1 3 331.387 3.596 20 0 EHADHM C[C@@H](CCCc1ccccc1)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000824402963 946685316 /nfs/dbraw/zinc/68/53/16/946685316.db2.gz ZIJYPRJXJUZOAV-LBPRGKRZSA-N -1 3 341.440 3.526 20 0 EHADHM C[C@@H](CCCc1ccccc1)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000824402963 946685322 /nfs/dbraw/zinc/68/53/22/946685322.db2.gz ZIJYPRJXJUZOAV-LBPRGKRZSA-N -1 3 341.440 3.526 20 0 EHADHM c1cc(CCCSCCOc2ccccc2-c2nnn[n-]2)cs1 ZINC000826519884 948449372 /nfs/dbraw/zinc/44/93/72/948449372.db2.gz SDFGESSMPSLFNF-UHFFFAOYSA-N -1 3 346.481 3.673 20 0 EHADHM c1cc(CCCSCCOc2ccccc2-c2nn[n-]n2)cs1 ZINC000826519884 948449377 /nfs/dbraw/zinc/44/93/77/948449377.db2.gz SDFGESSMPSLFNF-UHFFFAOYSA-N -1 3 346.481 3.673 20 0 EHADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575503898 949051185 /nfs/dbraw/zinc/05/11/85/949051185.db2.gz MXTVLKZNBPSPQQ-RYUDHWBXSA-N -1 3 342.834 3.544 20 0 EHADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575503898 949051202 /nfs/dbraw/zinc/05/12/02/949051202.db2.gz MXTVLKZNBPSPQQ-RYUDHWBXSA-N -1 3 342.834 3.544 20 0 EHADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(NC[C@@H]2CCCC2(C)C)n1 ZINC001573881812 950754367 /nfs/dbraw/zinc/75/43/67/950754367.db2.gz HWDQHNXDOOZOOQ-LBPRGKRZSA-N -1 3 328.464 3.797 20 0 EHADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(NC[C@@H]2CCCC2(C)C)n1 ZINC001573881812 950754380 /nfs/dbraw/zinc/75/43/80/950754380.db2.gz HWDQHNXDOOZOOQ-LBPRGKRZSA-N -1 3 328.464 3.797 20 0 EHADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(N[C@H]2CCSC(C)(C)C2)n1 ZINC001575643093 950961189 /nfs/dbraw/zinc/96/11/89/950961189.db2.gz XNMFRJNBGAUJGA-NSHDSACASA-N -1 3 346.504 3.645 20 0 EHADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(N[C@H]2CCSC(C)(C)C2)n1 ZINC001575643093 950961208 /nfs/dbraw/zinc/96/12/08/950961208.db2.gz XNMFRJNBGAUJGA-NSHDSACASA-N -1 3 346.504 3.645 20 0 EHADHM O=C([O-])CCC1CCN(Cc2ccc3ccc(F)c(F)c3n2)CC1 ZINC001595023709 951329432 /nfs/dbraw/zinc/32/94/32/951329432.db2.gz WELRFQWRVAMXKE-UHFFFAOYSA-N -1 3 334.366 3.590 20 0 EHADHM O=C([O-])c1cccc(CN2CCC(Oc3cccc(F)c3)CC2)c1 ZINC000530164394 953557615 /nfs/dbraw/zinc/55/76/15/953557615.db2.gz OROPBAPVVOZSIJ-UHFFFAOYSA-N -1 3 329.371 3.567 20 0 EHADHM O=C([O-])[C@@H]1CC[C@H](NCc2oc3ccccc3c2Br)C1 ZINC000653505079 954181442 /nfs/dbraw/zinc/18/14/42/954181442.db2.gz YAANTTKRUBPORT-ZJUUUORDSA-N -1 3 338.201 3.538 20 0 EHADHM Cc1ccc(-c2csc(CN3CC[C@H](C(=O)[O-])[C@H](C)C3)n2)cc1 ZINC000659800966 954377782 /nfs/dbraw/zinc/37/77/82/954377782.db2.gz CAUFCQSZNMKWPM-HIFRSBDPSA-N -1 3 330.453 3.661 20 0 EHADHM O=C([O-])CCC1CCN(CCc2ccccc2Br)CC1 ZINC000883408709 956237992 /nfs/dbraw/zinc/23/79/92/956237992.db2.gz FEHAHKCBBRZUIV-UHFFFAOYSA-N -1 3 340.261 3.568 20 0 EHADHM CC[C@@H]1CN(Cc2ccc(C(=O)[O-])s2)CCN1Cc1ccccc1 ZINC000903683759 956863429 /nfs/dbraw/zinc/86/34/29/956863429.db2.gz ZQMXIZBOJPKMTC-MRXNPFEDSA-N -1 3 344.480 3.543 20 0 EHADHM O=C([O-])c1ccc(CN[C@H](c2cccs2)C2(CO)CCC2)s1 ZINC000903690645 956869957 /nfs/dbraw/zinc/86/99/57/956869957.db2.gz MIOOSRWLCJESNF-CQSZACIVSA-N -1 3 337.466 3.501 20 0 EHADHM O=C([O-])C1(CCN2CCc3cccc(C(F)(F)F)c3C2)CCC1 ZINC000903706992 956902350 /nfs/dbraw/zinc/90/23/50/956902350.db2.gz PPZJDUYLWYIUSU-UHFFFAOYSA-N -1 3 327.346 3.709 20 0 EHADHM C[C@@](NCc1ccsc1)(C(=O)[O-])c1cccc(Br)c1 ZINC000063151600 957637340 /nfs/dbraw/zinc/63/73/40/957637340.db2.gz VGLSEXYWEXCBDT-AWEZNQCLSA-N -1 3 340.242 3.600 20 0 EHADHM CC(C)c1cccc(NC(=O)CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000392669426 972507223 /nfs/dbraw/zinc/50/72/23/972507223.db2.gz HVEGQQVDNZTPFT-INIZCTEOSA-N -1 3 346.471 3.571 20 0 EHADHM O=C([O-])c1cccc(CNCc2ccnc(OC3CCCCC3)c2)c1 ZINC000263389217 962549133 /nfs/dbraw/zinc/54/91/33/962549133.db2.gz DTXZLLWUSMYGLO-UHFFFAOYSA-N -1 3 340.423 3.781 20 0 EHADHM O=C([O-])C1CCC(N[C@H](c2cccc(F)c2)c2ccccn2)CC1 ZINC001605990919 973052206 /nfs/dbraw/zinc/05/22/06/973052206.db2.gz VQWHMJMIMNHOIM-PVCYVWKFSA-N -1 3 328.387 3.543 20 0 EHADHM O=C([O-])[C@H](NCc1ccc(F)c(Br)c1)c1cccs1 ZINC000426798853 974049197 /nfs/dbraw/zinc/04/91/97/974049197.db2.gz JVGOYHWDFOZKIY-GFCCVEGCSA-N -1 3 344.205 3.565 20 0 EHADHM COc1cccc(-c2csc(CN3C[C@H](C(=O)[O-])CC[C@H]3C)n2)c1 ZINC001604854487 974093311 /nfs/dbraw/zinc/09/33/11/974093311.db2.gz BMIRHILKDOKPSB-TZMCWYRMSA-N -1 3 346.452 3.504 20 0 EHADHM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1ccccc1Br ZINC000530180248 974365235 /nfs/dbraw/zinc/36/52/35/974365235.db2.gz VMXQUUKLSFZZEK-PTEHBNRSSA-N -1 3 326.234 3.523 20 0 EHADHM CCOc1cncc(CN2CCC(c3ccccc3C(=O)[O-])CC2)c1 ZINC001603884767 974382723 /nfs/dbraw/zinc/38/27/23/974382723.db2.gz BIWGPHDURNXBHD-UHFFFAOYSA-N -1 3 340.423 3.558 20 0 EHADHM CC(C)Oc1cccc(CN(C)CCOc2ccccc2C(=O)[O-])c1 ZINC000556657683 974489692 /nfs/dbraw/zinc/48/96/92/974489692.db2.gz BOKUEHAHTZFUHI-UHFFFAOYSA-N -1 3 343.423 3.683 20 0 EHADHM CCc1ccc(-c2nc(CN3CCC[C@@H]3CC(=O)[O-])cs2)cc1 ZINC000573808267 974771549 /nfs/dbraw/zinc/77/15/49/974771549.db2.gz JZCNDCSIZDXPKV-MRXNPFEDSA-N -1 3 330.453 3.812 20 0 EHADHM CCc1oc(C(=O)[O-])cc1CN(C)CCCOc1ccccc1C ZINC000578329441 974853081 /nfs/dbraw/zinc/85/30/81/974853081.db2.gz CXLKKNNNOKZECA-UHFFFAOYSA-N -1 3 331.412 3.750 20 0 EHADHM O=C([O-])c1csc(CN(CCc2ccccc2)C2CCCC2)n1 ZINC000583030236 974935529 /nfs/dbraw/zinc/93/55/29/974935529.db2.gz MSHWCTVFZZFWBB-UHFFFAOYSA-N -1 3 330.453 3.829 20 0 EHADHM COC[C@H](C)N(Cc1ccc(C(=O)[O-])o1)[C@H]1CCc2ccccc21 ZINC000629376642 975090884 /nfs/dbraw/zinc/09/08/84/975090884.db2.gz YVJMONKGRLFMTG-GUYCJALGSA-N -1 3 329.396 3.502 20 0 EHADHM CC[C@@H](C)Oc1cc(CNCc2cccc(C(=O)[O-])c2)ccc1OC ZINC000683175809 976079198 /nfs/dbraw/zinc/07/91/98/976079198.db2.gz AAOIMTAKDNKOPD-CQSZACIVSA-N -1 3 343.423 3.861 20 0 EHADHM CC(=O)CCc1ccc2oc(C(=O)Nc3ncccc3[O-])c(C)c2c1 ZINC000683139506 1014481338 /nfs/dbraw/zinc/48/13/38/1014481338.db2.gz XYCVXQOHNDIVIE-UHFFFAOYSA-N -1 3 338.363 3.616 20 0 EHADHM COc1ccc(C(=O)[O-])c2c1CN(C[C@H]1C(C)=CCC[C@H]1C)CC2 ZINC000871621339 979961086 /nfs/dbraw/zinc/96/10/86/979961086.db2.gz ZBNMHCPKRNEDCJ-PBHICJAKSA-N -1 3 329.440 3.744 20 0 EHADHM O=C([O-])c1ccc(Cl)c(CN2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000872162729 980054018 /nfs/dbraw/zinc/05/40/18/980054018.db2.gz NQURPKASKBDKFX-MRXNPFEDSA-N -1 3 337.847 3.962 20 0 EHADHM C[C@H](CC(C)(C)CC(=O)[O-])N[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000901457620 980296174 /nfs/dbraw/zinc/29/61/74/980296174.db2.gz NVLGUBKAYLVLIZ-NEPJUHHUSA-N -1 3 349.406 3.806 20 0 EHADHM CC[C@H](N[C@@H](C(=O)[O-])c1ccsc1)c1ccc(OC)c(OC)c1 ZINC001595277240 980305374 /nfs/dbraw/zinc/30/53/74/980305374.db2.gz RYPGGPUVUGTAPM-XJKSGUPXSA-N -1 3 335.425 3.632 20 0 EHADHM CC[C@H](NCCOc1cccc(C(=O)[O-])c1)c1cc(F)ccc1OC ZINC001595294579 980410607 /nfs/dbraw/zinc/41/06/07/980410607.db2.gz UKHSMLGIWHTMRZ-KRWDZBQOSA-N -1 3 347.386 3.652 20 0 EHADHM CC(C)(C)[C@@H]1C[C@H](N[C@H](C(=O)[O-])c2cc(F)ccc2F)CS1 ZINC000901638495 980419496 /nfs/dbraw/zinc/41/94/96/980419496.db2.gz VRLBUMONFVPJPN-BPNCWPANSA-N -1 3 329.412 3.600 20 0 EHADHM CC[C@@](NCc1ccc(C)nc1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595300199 980434050 /nfs/dbraw/zinc/43/40/50/980434050.db2.gz OIOIDPNAONQFAN-SFHVURJKSA-N -1 3 332.831 3.832 20 0 EHADHM C[C@@H](N[C@@H](C)Cc1coc2ccccc12)c1ncc(C(=O)[O-])s1 ZINC000901907735 980620736 /nfs/dbraw/zinc/62/07/36/980620736.db2.gz JQIYELXGINDGQF-WDEREUQCSA-N -1 3 330.409 3.869 20 0 EHADHM CC(C)N(C)c1ccccc1CNC(=O)c1cc([O-])ccc1Cl ZINC000349042706 1014681252 /nfs/dbraw/zinc/68/12/52/1014681252.db2.gz VXZSGEXXDGMWGU-UHFFFAOYSA-N -1 3 332.831 3.820 20 0 EHADHM C[C@H](Oc1ccc(CN[C@H]2CCc3cc(Cl)ccc32)cc1)C(=O)[O-] ZINC000902171433 980766550 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CC(C)(Cc1cccc(Cl)c1)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000616824505 1124041455 /nfs/dbraw/zinc/04/14/55/1124041455.db2.gz HUSFMVLMQSDNRN-HNNXBMFYSA-N -1 3 347.846 3.544 20 0 EHADHM O=C(OCC/C=C\c1ccc(Br)cc1)c1cncc([O-])c1 ZINC000735350264 1131335938 /nfs/dbraw/zinc/33/59/38/1131335938.db2.gz MCYSGUPFRNOION-IWQZZHSRSA-N -1 3 348.196 3.810 20 0 EHADHM CC(C)c1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCCCC2=O)c([O-])c1 ZINC000271445303 1129232611 /nfs/dbraw/zinc/23/26/11/1129232611.db2.gz WDGDUOJULZXVPY-RDJZCZTQSA-N -1 3 329.440 3.880 20 0 EHADHM O=S(=O)([N-][C@H]1CCCc2sccc21)c1cc(F)ccc1Cl ZINC000466528429 1129515920 /nfs/dbraw/zinc/51/59/20/1129515920.db2.gz OEIGDEPQZKHMEI-LBPRGKRZSA-N -1 3 345.848 3.897 20 0 EHADHM Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3c(C)cccc3[O-])nc2c1 ZINC000624910073 1129560188 /nfs/dbraw/zinc/56/01/88/1129560188.db2.gz YCYOQWUSTWTJLM-INIZCTEOSA-N -1 3 335.407 3.863 20 0 EHADHM CCO[N-]C(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000198938634 1129717909 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C[C@@H](NC=C1C(=O)[N-]C(=O)c2ccccc21)c1csc2ccccc21 ZINC000729964696 1130660189 /nfs/dbraw/zinc/66/01/89/1130660189.db2.gz LZMHOIOLBRCNQG-HMHNVIDESA-N -1 3 348.427 3.863 20 0 EHADHM C[C@@H]1C[C@H]1c1ccc(C[N-]C(=O)C(F)(F)Oc2ccc(C=O)cc2)o1 ZINC000731611901 1130818171 /nfs/dbraw/zinc/81/81/71/1130818171.db2.gz NMHKGHMPFVGMDE-IAQYHMDHSA-N -1 3 349.333 3.504 20 0 EHADHM O=C(NCc1c(Cl)cccc1Cl)c1nnc2ccccc2c1[O-] ZINC000732269850 1130907877 /nfs/dbraw/zinc/90/78/77/1130907877.db2.gz WCSMCHMRXKMDDQ-UHFFFAOYSA-N -1 3 348.189 3.572 20 0 EHADHM CCc1ccc(-c2nc(COC(=O)c3cncc([O-])c3)cs2)cc1 ZINC000732391593 1130920971 /nfs/dbraw/zinc/92/09/71/1130920971.db2.gz KHMHECOMDFVWDC-UHFFFAOYSA-N -1 3 340.404 3.830 20 0 EHADHM Cc1ccc(-c2cc(C(=O)O[C@H](c3ccccn3)C(C)C)n[n-]2)o1 ZINC000733689230 1131068003 /nfs/dbraw/zinc/06/80/03/1131068003.db2.gz WCUNOTIWKURXNU-KRWDZBQOSA-N -1 3 325.368 3.927 20 0 EHADHM Cc1ccc(-c2cc(C(=O)O[C@H](c3ccccn3)C(C)C)[n-]n2)o1 ZINC000733689230 1131068006 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Cc1ccc(-c2cc(C(=O)OCCOC3CCCCCC3)n[n-]2)o1 ZINC000740955748 1131561011 /nfs/dbraw/zinc/56/10/11/1131561011.db2.gz CNXBVTCXTINXTP-UHFFFAOYSA-N -1 3 332.400 3.874 20 0 EHADHM Cc1ccc(-c2cc(C(=O)OCCOC3CCCCCC3)[n-]n2)o1 ZINC000740955748 1131561016 /nfs/dbraw/zinc/56/10/16/1131561016.db2.gz CNXBVTCXTINXTP-UHFFFAOYSA-N -1 3 332.400 3.874 20 0 EHADHM O=C(N[C@H](CC1CC1)c1ccccc1)c1nnc2ccccc2c1[O-] ZINC000742112756 1131688067 /nfs/dbraw/zinc/68/80/67/1131688067.db2.gz IGXJXXFLAFLHKK-QGZVFWFLSA-N -1 3 333.391 3.607 20 0 EHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)C=Cc3cccs3)c2)n1 ZINC000744218962 1132049249 /nfs/dbraw/zinc/04/92/49/1132049249.db2.gz IUCRTMOLIGNFRB-BQYQJAHWSA-N -1 3 338.388 3.838 20 0 EHADHM O=C(OCCC1CC1)c1n[n-]c(-c2ccccc2)c1Br ZINC000744283154 1132063522 /nfs/dbraw/zinc/06/35/22/1132063522.db2.gz SCDCBSVTZUBDBZ-UHFFFAOYSA-N -1 3 335.201 3.796 20 0 EHADHM O=C(OCCc1ccc2c(c1)CCO2)c1cc(Cl)c(Cl)[n-]1 ZINC000744628590 1132132642 /nfs/dbraw/zinc/13/26/42/1132132642.db2.gz 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ZINC001175265524 1132622498 /nfs/dbraw/zinc/62/24/98/1132622498.db2.gz FMZSOHJGORECSQ-UHFFFAOYSA-N -1 3 336.523 3.620 20 0 EHADHM COc1cc(Nc2c(F)ccc([O-])c2F)cnc1Br ZINC001175263663 1132622863 /nfs/dbraw/zinc/62/28/63/1132622863.db2.gz PEIJWFBYGCYQFH-UHFFFAOYSA-N -1 3 331.116 3.580 20 0 EHADHM COC(=O)c1cc(Nc2c(F)ccc([O-])c2F)c(OC)cc1Cl ZINC001175267648 1132624147 /nfs/dbraw/zinc/62/41/47/1132624147.db2.gz DYEGYGXLCFHIMT-UHFFFAOYSA-N -1 3 343.713 3.863 20 0 EHADHM Cc1ccc(NCCOc2cccc3ccccc32)cc1-c1nnn[n-]1 ZINC001169015730 1132633524 /nfs/dbraw/zinc/63/35/24/1132633524.db2.gz YIEVHFFLSPKXIU-UHFFFAOYSA-N -1 3 345.406 3.819 20 0 EHADHM Cc1ccc(NCCOc2cccc3ccccc32)cc1-c1nn[n-]n1 ZINC001169015730 1132633527 /nfs/dbraw/zinc/63/35/27/1132633527.db2.gz YIEVHFFLSPKXIU-UHFFFAOYSA-N -1 3 345.406 3.819 20 0 EHADHM Fc1cc(CNc2ccc3c(c2)[N-]C(=S)C3)c2c(c1)COCO2 ZINC001169098713 1132654627 /nfs/dbraw/zinc/65/46/27/1132654627.db2.gz GYVLLDZJVHAMSR-UHFFFAOYSA-N -1 3 330.384 3.600 20 0 EHADHM CCOC(=O)c1coc2cc(Nc3ccc(-c4nn[n-]n4)cc3)ccc12 ZINC001175432276 1132667916 /nfs/dbraw/zinc/66/79/16/1132667916.db2.gz YDKDKLQZKOUAJC-UHFFFAOYSA-N -1 3 349.350 3.533 20 0 EHADHM Nc1cc(C(F)(F)F)c(Nc2cccc([O-])c2Br)cn1 ZINC001175714444 1132741965 /nfs/dbraw/zinc/74/19/65/1132741965.db2.gz WHGRAMBDGXJTOF-UHFFFAOYSA-N -1 3 348.122 3.894 20 0 EHADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccccc3F)nc(=O)c2c1C ZINC000004830263 1132765841 /nfs/dbraw/zinc/76/58/41/1132765841.db2.gz AHWZEFOBXDOMLP-VIFPVBQESA-N -1 3 346.383 3.659 20 0 EHADHM CCOC(=O)c1nc(C2CC2)oc1[N-]c1cnn(-c2ccccc2)c1 ZINC001175793150 1132768954 /nfs/dbraw/zinc/76/89/54/1132768954.db2.gz UDLDITKISRKOEB-UHFFFAOYSA-N -1 3 338.367 3.658 20 0 EHADHM C/C(=C\C(=O)[N-]OCC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000766776246 1132811645 /nfs/dbraw/zinc/81/16/45/1132811645.db2.gz QKCQVPLQRJGGNM-SOFGYWHQSA-N -1 3 327.224 3.719 20 0 EHADHM COc1cc(N2CCC(O)CC2)ccc1Nc1ccc(Cl)c([O-])c1 ZINC001212593675 1132829593 /nfs/dbraw/zinc/82/95/93/1132829593.db2.gz 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C[C@@H](CCSc1ccccc1)OC(=O)c1cccc2[n-]nnc21 ZINC000800205717 1137902543 /nfs/dbraw/zinc/90/25/43/1137902543.db2.gz PCHYDMUVEMLWPE-LBPRGKRZSA-N -1 3 327.409 3.686 20 0 EHADHM C[C@@H](CCSc1ccccc1)OC(=O)c1cccc2n[n-]nc21 ZINC000800205717 1137902544 /nfs/dbraw/zinc/90/25/44/1137902544.db2.gz PCHYDMUVEMLWPE-LBPRGKRZSA-N -1 3 327.409 3.686 20 0 EHADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@@H]2c2nccn2CC)c1 ZINC000331930825 1137926000 /nfs/dbraw/zinc/92/60/00/1137926000.db2.gz POEYHKSWGYCEAA-MRXNPFEDSA-N -1 3 327.428 3.538 20 0 EHADHM C[C@H](c1cccc(Cl)c1F)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000332363114 1137941516 /nfs/dbraw/zinc/94/15/16/1137941516.db2.gz VJNYDKZCMJBCDM-ZJUUUORDSA-N -1 3 325.771 3.508 20 0 EHADHM Cc1nc(-c2ccc(NC(=O)N(C)[C@H](C)C3(C)CC3)cc2)cc(=O)[n-]1 ZINC000333243958 1137959144 /nfs/dbraw/zinc/95/91/44/1137959144.db2.gz IZEKDBVBMCDQDE-GFCCVEGCSA-N -1 3 340.427 3.810 20 0 EHADHM Cc1ccc(C(=O)N2CCCCC[C@@H]2[C@@H]2CCCCC2=O)c([O-])c1 ZINC000092429913 1138228151 /nfs/dbraw/zinc/22/81/51/1138228151.db2.gz JDUMYWRRCHFQMH-DOTOQJQBSA-N -1 3 329.440 3.845 20 0 EHADHM Cc1nc(C)c(CCC(=O)N2CC3(CCCCC3)[C@@H]2C(C)C)c(=O)[n-]1 ZINC000333998052 1138359799 /nfs/dbraw/zinc/35/97/99/1138359799.db2.gz PJWVYNFNFCYVBD-SFHVURJKSA-N -1 3 345.487 3.549 20 0 EHADHM CSc1nsc([N-]C(=O)c2cnccc2Oc2ccccc2)n1 ZINC000337616243 1138622410 /nfs/dbraw/zinc/62/24/10/1138622410.db2.gz OGQIOMSIGNAERJ-UHFFFAOYSA-N -1 3 344.421 3.700 20 0 EHADHM C[C@H](Sc1ccccc1Cl)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000338343052 1138843228 /nfs/dbraw/zinc/84/32/28/1138843228.db2.gz HBHBPCBWLSYJQB-VIFPVBQESA-N -1 3 348.815 3.837 20 0 EHADHM O=C(Nc1ccnn1C1CCC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000890363221 1139347743 /nfs/dbraw/zinc/34/77/43/1139347743.db2.gz GHHFJHIHFQLJDR-UHFFFAOYSA-N -1 3 325.290 3.585 20 0 EHADHM CCOCCOCc1cccc(NC(=O)c2cccc(C)c2[O-])c1C ZINC000174108627 1139399739 /nfs/dbraw/zinc/39/97/39/1139399739.db2.gz OGVDOQXNPJOYIE-UHFFFAOYSA-N -1 3 343.423 3.814 20 0 EHADHM CCc1cc(=O)[n-]c(CN[C@H](C)c2ccc(C(F)(F)F)cc2)n1 ZINC000182421794 1139970907 /nfs/dbraw/zinc/97/09/07/1139970907.db2.gz WHFYSHKJSOZMNF-SNVBAGLBSA-N -1 3 325.334 3.614 20 0 EHADHM O=C1CCCCN1Cc1cccc(NCc2cc([O-])cc(F)c2)c1 ZINC000185592635 1140157582 /nfs/dbraw/zinc/15/75/82/1140157582.db2.gz PBDQYCMBLLETFI-UHFFFAOYSA-N -1 3 328.387 3.656 20 0 EHADHM O=C(NCc1ncccc1[O-])Nc1ccc2nc(C3CC3)sc2c1 ZINC000348707803 1141568431 /nfs/dbraw/zinc/56/84/31/1141568431.db2.gz VEDUBQLYNIEBPY-UHFFFAOYSA-N -1 3 340.408 3.596 20 0 EHADHM O=C1CCCC[C@@H]1Sc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000068932711 215346917 /nfs/dbraw/zinc/34/69/17/215346917.db2.gz RDPCOCKSRWHXNM-ZDUSSCGKSA-N -1 3 337.832 3.641 20 0 EHADHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccccc2C(F)(F)F)[C@@H]1C ZINC000069104427 215359156 /nfs/dbraw/zinc/35/91/56/215359156.db2.gz UJLSJKGVQYAMDJ-NQBHXWOUSA-N -1 3 335.391 3.808 20 0 EHADHM O=S(=O)([N-]c1ccc(F)cc1Br)c1cccc(F)c1 ZINC000020430715 212127732 /nfs/dbraw/zinc/12/77/32/212127732.db2.gz OEPHDONWFJXWHD-UHFFFAOYSA-N -1 3 348.168 3.528 20 0 EHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H](C)c2cccc(C)c2)s1 ZINC000736679376 598831369 /nfs/dbraw/zinc/83/13/69/598831369.db2.gz SIYOOWMXLQBVIE-LLVKDONJSA-N -1 3 341.440 3.541 20 0 EHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H](C)c2cccc(C)c2)s1 ZINC000736679376 598831370 /nfs/dbraw/zinc/83/13/70/598831370.db2.gz SIYOOWMXLQBVIE-LLVKDONJSA-N -1 3 341.440 3.541 20 0 EHADHM CC(C)CN(Cc1ncc(C(C)C)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735830776 598831618 /nfs/dbraw/zinc/83/16/18/598831618.db2.gz ITSXVKPVLDVDJH-UHFFFAOYSA-N -1 3 340.431 3.641 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](Cc1ccccc1)C(C)C ZINC000737291150 598832151 /nfs/dbraw/zinc/83/21/51/598832151.db2.gz IIIBQYZPEGMXDX-KRWDZBQOSA-N -1 3 349.438 3.629 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](Cc1ccccc1)C(C)C ZINC000737291150 598832153 /nfs/dbraw/zinc/83/21/53/598832153.db2.gz IIIBQYZPEGMXDX-KRWDZBQOSA-N -1 3 349.438 3.629 20 0 EHADHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000566591000 598910614 /nfs/dbraw/zinc/91/06/14/598910614.db2.gz OHFINDNDUZSDJK-ROUUACIJSA-N -1 3 347.422 3.732 20 0 EHADHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000566591000 598910615 /nfs/dbraw/zinc/91/06/15/598910615.db2.gz OHFINDNDUZSDJK-ROUUACIJSA-N -1 3 347.422 3.732 20 0 EHADHM CCN(Cc1cccc(Cl)c1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736559479 598937659 /nfs/dbraw/zinc/93/76/59/598937659.db2.gz XWQLZMOEYGNACS-UHFFFAOYSA-N -1 3 349.225 3.595 20 0 EHADHM CCN(Cc1cccc(Cl)c1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736559479 598937661 /nfs/dbraw/zinc/93/76/61/598937661.db2.gz XWQLZMOEYGNACS-UHFFFAOYSA-N -1 3 349.225 3.595 20 0 EHADHM Clc1cccc(CSc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737575245 598939063 /nfs/dbraw/zinc/93/90/63/598939063.db2.gz NZMSWFOPSGNMFZ-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM Clc1cccc(CSc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000737575245 598939064 /nfs/dbraw/zinc/93/90/64/598939064.db2.gz NZMSWFOPSGNMFZ-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM CC[C@@H]1CCC[C@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000736398443 598973885 /nfs/dbraw/zinc/97/38/85/598973885.db2.gz AEVOVAVFQGBFIL-ZJUUUORDSA-N -1 3 340.353 3.661 20 0 EHADHM CC[C@@H]1CCC[C@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000736398443 598973888 /nfs/dbraw/zinc/97/38/88/598973888.db2.gz AEVOVAVFQGBFIL-ZJUUUORDSA-N -1 3 340.353 3.661 20 0 EHADHM c1ccc2c(c1)ncc(-c1nnn[n-]1)c2N1CCC2(C1)CCCCC2 ZINC000823791822 599051596 /nfs/dbraw/zinc/05/15/96/599051596.db2.gz JMVJAUXFAKBXLR-UHFFFAOYSA-N -1 3 334.427 3.576 20 0 EHADHM c1ccc2c(c1)ncc(-c1nn[n-]n1)c2N1CCC2(C1)CCCCC2 ZINC000823791822 599051600 /nfs/dbraw/zinc/05/16/00/599051600.db2.gz JMVJAUXFAKBXLR-UHFFFAOYSA-N -1 3 334.427 3.576 20 0 EHADHM C[C@@H]1C[C@@H]1[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1 ZINC000820668292 599054664 /nfs/dbraw/zinc/05/46/64/599054664.db2.gz RGCKZEKKJJKVQY-OOVXXXAESA-N -1 3 340.818 3.724 20 0 EHADHM C[C@@H]1C[C@@H]1[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1 ZINC000820668292 599054667 /nfs/dbraw/zinc/05/46/67/599054667.db2.gz RGCKZEKKJJKVQY-OOVXXXAESA-N -1 3 340.818 3.724 20 0 EHADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000820665798 599060230 /nfs/dbraw/zinc/06/02/30/599060230.db2.gz GTNZHNPEFBXVCK-ZBEGNZNMSA-N -1 3 341.365 3.732 20 0 EHADHM C[C@H]1C[C@@H](c2cccc(F)c2)N(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000820665798 599060232 /nfs/dbraw/zinc/06/02/32/599060232.db2.gz GTNZHNPEFBXVCK-ZBEGNZNMSA-N -1 3 341.365 3.732 20 0 EHADHM CC(C)CN(C(=O)[C@H]1CCC[C@@H](C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735819495 599069704 /nfs/dbraw/zinc/06/97/04/599069704.db2.gz WRIRFYXNZGZCNO-ZBFHGGJFSA-N -1 3 341.459 3.682 20 0 EHADHM CC(C)CN(C(=O)[C@H]1CCC[C@@H](C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735819495 599069706 /nfs/dbraw/zinc/06/97/06/599069706.db2.gz WRIRFYXNZGZCNO-ZBFHGGJFSA-N -1 3 341.459 3.682 20 0 EHADHM C[C@H](COCc1ccccc1)Nc1c(Cl)cccc1-c1nnn[n-]1 ZINC000820287210 599079802 /nfs/dbraw/zinc/07/98/02/599079802.db2.gz KJEKFLXVTOFCCF-GFCCVEGCSA-N -1 3 343.818 3.537 20 0 EHADHM C[C@H](COCc1ccccc1)Nc1c(Cl)cccc1-c1nn[n-]n1 ZINC000820287210 599079805 /nfs/dbraw/zinc/07/98/05/599079805.db2.gz KJEKFLXVTOFCCF-GFCCVEGCSA-N -1 3 343.818 3.537 20 0 EHADHM C[C@@H](CCSc1ccccc1)Sc1ccc(-c2nnn[n-]2)cn1 ZINC000820248113 607258878 /nfs/dbraw/zinc/25/88/78/607258878.db2.gz COYBVGPYAQGGBQ-LBPRGKRZSA-N -1 3 343.481 3.925 20 0 EHADHM C[C@@H](CCSc1ccccc1)Sc1ccc(-c2nn[n-]n2)cn1 ZINC000820248113 607258879 /nfs/dbraw/zinc/25/88/79/607258879.db2.gz COYBVGPYAQGGBQ-LBPRGKRZSA-N -1 3 343.481 3.925 20 0 EHADHM O=C(OCc1cc(Cl)ccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000738236245 599151713 /nfs/dbraw/zinc/15/17/13/599151713.db2.gz GMMLBQPLNHCJOJ-UHFFFAOYSA-N -1 3 349.177 3.531 20 0 EHADHM O=C(OCc1cc(Cl)ccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000738236245 599151716 /nfs/dbraw/zinc/15/17/16/599151716.db2.gz GMMLBQPLNHCJOJ-UHFFFAOYSA-N -1 3 349.177 3.531 20 0 EHADHM Cc1ccccc1[C@H](C)CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737422782 599161533 /nfs/dbraw/zinc/16/15/33/599161533.db2.gz OXCXMVIGMCFMMQ-CABCVRRESA-N -1 3 349.438 3.546 20 0 EHADHM Cc1ccccc1[C@H](C)CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737422782 599161535 /nfs/dbraw/zinc/16/15/35/599161535.db2.gz OXCXMVIGMCFMMQ-CABCVRRESA-N -1 3 349.438 3.546 20 0 EHADHM CCCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821009121 599218445 /nfs/dbraw/zinc/21/84/45/599218445.db2.gz OGKYHCJAGZZUDV-UHFFFAOYSA-N -1 3 341.346 3.537 20 0 EHADHM CCCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000821009121 599218447 /nfs/dbraw/zinc/21/84/47/599218447.db2.gz OGKYHCJAGZZUDV-UHFFFAOYSA-N -1 3 341.346 3.537 20 0 EHADHM CCc1c(C)sc(NC(=O)C=CC2CCCCC2)c1-c1nn[n-]n1 ZINC000736671336 599248275 /nfs/dbraw/zinc/24/82/75/599248275.db2.gz WSNDBKPJVYTPLA-KTKRTIGZSA-N -1 3 345.472 3.874 20 0 EHADHM CCc1c(C)sc(NC(=O)/C=C\C2CCCCC2)c1-c1nn[n-]n1 ZINC000736671336 599248278 /nfs/dbraw/zinc/24/82/78/599248278.db2.gz WSNDBKPJVYTPLA-KTKRTIGZSA-N -1 3 345.472 3.874 20 0 EHADHM Cc1c(NC(=O)N(C)CCC2CCCCC2)cccc1-c1nnn[n-]1 ZINC000822077477 607284642 /nfs/dbraw/zinc/28/46/42/607284642.db2.gz VOCCTVVZNJBFEU-UHFFFAOYSA-N -1 3 342.447 3.609 20 0 EHADHM Cc1c(NC(=O)N(C)CCC2CCCCC2)cccc1-c1nn[n-]n1 ZINC000822077477 607284643 /nfs/dbraw/zinc/28/46/43/607284643.db2.gz VOCCTVVZNJBFEU-UHFFFAOYSA-N -1 3 342.447 3.609 20 0 EHADHM Cc1cc(NCc2cccc(-c3nnn[n-]3)c2)c2cccnc2c1C ZINC000822209473 607318929 /nfs/dbraw/zinc/31/89/29/607318929.db2.gz KIAXJBHVUPCKBQ-UHFFFAOYSA-N -1 3 330.395 3.644 20 0 EHADHM Cc1cc(NCc2cccc(-c3nn[n-]n3)c2)c2cccnc2c1C ZINC000822209473 607318930 /nfs/dbraw/zinc/31/89/30/607318930.db2.gz KIAXJBHVUPCKBQ-UHFFFAOYSA-N -1 3 330.395 3.644 20 0 EHADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1cccc2cccnc21 ZINC000737221319 599283208 /nfs/dbraw/zinc/28/32/08/599283208.db2.gz INQCLVZDFOUMBZ-UHFFFAOYSA-N -1 3 331.379 3.611 20 0 EHADHM C[C@H](Sc1ncnc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192388 599285241 /nfs/dbraw/zinc/28/52/41/599285241.db2.gz MCLMLASDUJCEIH-NSHDSACASA-N -1 3 334.408 3.663 20 0 EHADHM C[C@H](Sc1ncnc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192388 599285242 /nfs/dbraw/zinc/28/52/42/599285242.db2.gz MCLMLASDUJCEIH-NSHDSACASA-N -1 3 334.408 3.663 20 0 EHADHM C[C@@H](SC[C@@H]1CC1(Cl)Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192496 599289475 /nfs/dbraw/zinc/28/94/75/599289475.db2.gz ZQFGWJBGQKVSRS-KCJUWKMLSA-N -1 3 329.256 3.855 20 0 EHADHM C[C@@H](SC[C@@H]1CC1(Cl)Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192496 599289476 /nfs/dbraw/zinc/28/94/76/599289476.db2.gz ZQFGWJBGQKVSRS-KCJUWKMLSA-N -1 3 329.256 3.855 20 0 EHADHM CC[C@H](C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736319410 598231689 /nfs/dbraw/zinc/23/16/89/598231689.db2.gz KFPWUPNQQXBISI-LBPRGKRZSA-N -1 3 337.383 3.644 20 0 EHADHM CC[C@H](C)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736319410 598231691 /nfs/dbraw/zinc/23/16/91/598231691.db2.gz KFPWUPNQQXBISI-LBPRGKRZSA-N -1 3 337.383 3.644 20 0 EHADHM CCc1c(C)sc(NC(=O)C[C@@H](CC)C(C)C)c1-c1nnn[n-]1 ZINC000736669268 598283122 /nfs/dbraw/zinc/28/31/22/598283122.db2.gz BRSSAWWZLUMRKJ-LLVKDONJSA-N -1 3 335.477 3.810 20 0 EHADHM CCc1c(C)sc(NC(=O)C[C@@H](CC)C(C)C)c1-c1nn[n-]n1 ZINC000736669268 598283123 /nfs/dbraw/zinc/28/31/23/598283123.db2.gz BRSSAWWZLUMRKJ-LLVKDONJSA-N -1 3 335.477 3.810 20 0 EHADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1csc2ccccc21 ZINC000736119976 598360076 /nfs/dbraw/zinc/36/00/76/598360076.db2.gz UERDDLHTRFXQEJ-LLVKDONJSA-N -1 3 349.419 3.572 20 0 EHADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1csc2ccccc21 ZINC000736119976 598360078 /nfs/dbraw/zinc/36/00/78/598360078.db2.gz UERDDLHTRFXQEJ-LLVKDONJSA-N -1 3 349.419 3.572 20 0 EHADHM CC(=CC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000727368096 598440351 /nfs/dbraw/zinc/44/03/51/598440351.db2.gz MSPLXDRZRNYTSE-PKNBQFBNSA-N -1 3 339.786 3.562 20 0 EHADHM CC(=CC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000727368096 598440352 /nfs/dbraw/zinc/44/03/52/598440352.db2.gz MSPLXDRZRNYTSE-PKNBQFBNSA-N -1 3 339.786 3.562 20 0 EHADHM C[C@H](OC(=O)c1ccc(Cl)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000736159602 598488668 /nfs/dbraw/zinc/48/86/68/598488668.db2.gz XHRKBSQZZCLEKW-VIFPVBQESA-N -1 3 346.749 3.577 20 0 EHADHM C[C@H](OC(=O)c1ccc(Cl)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000736159602 598488669 /nfs/dbraw/zinc/48/86/69/598488669.db2.gz XHRKBSQZZCLEKW-VIFPVBQESA-N -1 3 346.749 3.577 20 0 EHADHM Fc1ccc([C@H](Nc2ncccc2-c2nnn[n-]2)C2CCCC2)cc1 ZINC000737650478 598521462 /nfs/dbraw/zinc/52/14/62/598521462.db2.gz PBFHLAMNMMMWNB-MRXNPFEDSA-N -1 3 338.390 3.744 20 0 EHADHM Fc1ccc([C@H](Nc2ncccc2-c2nn[n-]n2)C2CCCC2)cc1 ZINC000737650478 598521464 /nfs/dbraw/zinc/52/14/64/598521464.db2.gz PBFHLAMNMMMWNB-MRXNPFEDSA-N -1 3 338.390 3.744 20 0 EHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1ccoc1 ZINC000738173325 598554278 /nfs/dbraw/zinc/55/42/78/598554278.db2.gz ODJRAVNPEUUMGO-UHFFFAOYSA-N -1 3 347.334 3.504 20 0 EHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1ccoc1 ZINC000738173325 598554279 /nfs/dbraw/zinc/55/42/79/598554279.db2.gz ODJRAVNPEUUMGO-UHFFFAOYSA-N -1 3 347.334 3.504 20 0 EHADHM FC(F)Oc1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)cc1Cl ZINC000737638621 598581956 /nfs/dbraw/zinc/58/19/56/598581956.db2.gz HFYHPFRHKNOPLA-DAFODLJHSA-N -1 3 349.728 3.687 20 0 EHADHM FC(F)Oc1ccc(C=Cc2ccc(-c3nn[n-]n3)cn2)cc1Cl ZINC000737638621 598581958 /nfs/dbraw/zinc/58/19/58/598581958.db2.gz HFYHPFRHKNOPLA-DAFODLJHSA-N -1 3 349.728 3.687 20 0 EHADHM c1ccc2c(c1)cccc2-c1noc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000738432909 598613236 /nfs/dbraw/zinc/61/32/36/598613236.db2.gz KKXFPRLXQWPTBQ-UHFFFAOYSA-N -1 3 340.346 3.737 20 0 EHADHM c1ccc2c(c1)cccc2-c1noc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000738432909 598613237 /nfs/dbraw/zinc/61/32/37/598613237.db2.gz KKXFPRLXQWPTBQ-UHFFFAOYSA-N -1 3 340.346 3.737 20 0 EHADHM COc1ccc(F)cc1[C@@H](C)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737099953 598653449 /nfs/dbraw/zinc/65/34/49/598653449.db2.gz RBVIRMWLDGBSSO-SECBINFHSA-N -1 3 347.781 3.841 20 0 EHADHM COc1ccc(F)cc1[C@@H](C)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737099953 598653451 /nfs/dbraw/zinc/65/34/51/598653451.db2.gz RBVIRMWLDGBSSO-SECBINFHSA-N -1 3 347.781 3.841 20 0 EHADHM C[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1nc2ccccc2[nH]1 ZINC000736137262 598657375 /nfs/dbraw/zinc/65/73/75/598657375.db2.gz JGJHDBZZCGAJLN-VIFPVBQESA-N -1 3 339.790 3.570 20 0 EHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1nc2ccccc2[nH]1 ZINC000736137262 598657376 /nfs/dbraw/zinc/65/73/76/598657376.db2.gz JGJHDBZZCGAJLN-VIFPVBQESA-N -1 3 339.790 3.570 20 0 EHADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1nc2ccccc2[nH]1 ZINC000736137257 598657635 /nfs/dbraw/zinc/65/76/35/598657635.db2.gz JGJHDBZZCGAJLN-SECBINFHSA-N -1 3 339.790 3.570 20 0 EHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1nc2ccccc2[nH]1 ZINC000736137257 598657637 /nfs/dbraw/zinc/65/76/37/598657637.db2.gz JGJHDBZZCGAJLN-SECBINFHSA-N -1 3 339.790 3.570 20 0 EHADHM CCOc1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1F ZINC000736645540 598673721 /nfs/dbraw/zinc/67/37/21/598673721.db2.gz ZKSOPMAKJKZNKP-UHFFFAOYSA-N -1 3 347.781 3.670 20 0 EHADHM CCOc1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1F ZINC000736645540 598673723 /nfs/dbraw/zinc/67/37/23/598673723.db2.gz ZKSOPMAKJKZNKP-UHFFFAOYSA-N -1 3 347.781 3.670 20 0 EHADHM Cc1ccc2c(c1)[C@H](Nc1ccc(-c3nnn[n-]3)c(Cl)c1)CC2 ZINC000737371716 598674445 /nfs/dbraw/zinc/67/44/45/598674445.db2.gz JVGZGAHKRQYLQQ-MRXNPFEDSA-N -1 3 325.803 3.928 20 0 EHADHM Cc1ccc2c(c1)[C@H](Nc1ccc(-c3nn[n-]n3)c(Cl)c1)CC2 ZINC000737371716 598674447 /nfs/dbraw/zinc/67/44/47/598674447.db2.gz JVGZGAHKRQYLQQ-MRXNPFEDSA-N -1 3 325.803 3.928 20 0 EHADHM Cc1cc(Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)ncn1 ZINC000737280574 598787914 /nfs/dbraw/zinc/78/79/14/598787914.db2.gz MRKSZDVJEOZGLH-UHFFFAOYSA-N -1 3 345.366 3.501 20 0 EHADHM Fc1ccccc1OCCCNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000737668612 598793411 /nfs/dbraw/zinc/79/34/11/598793411.db2.gz HKCCCUGJDDFYMM-UHFFFAOYSA-N -1 3 347.781 3.540 20 0 EHADHM Fc1ccccc1OCCCNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000737668612 598793413 /nfs/dbraw/zinc/79/34/13/598793413.db2.gz HKCCCUGJDDFYMM-UHFFFAOYSA-N -1 3 347.781 3.540 20 0 EHADHM c1ccc2cc(CN(c3ncccc3-c3nnn[n-]3)C3CC3)ccc2c1 ZINC000738445930 598815958 /nfs/dbraw/zinc/81/59/58/598815958.db2.gz PHWMYIKJSFUCCX-UHFFFAOYSA-N -1 3 342.406 3.584 20 0 EHADHM c1ccc2cc(CN(c3ncccc3-c3nn[n-]n3)C3CC3)ccc2c1 ZINC000738445930 598815959 /nfs/dbraw/zinc/81/59/59/598815959.db2.gz PHWMYIKJSFUCCX-UHFFFAOYSA-N -1 3 342.406 3.584 20 0 EHADHM C[C@H](SCc1noc2c1CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192031 599325753 /nfs/dbraw/zinc/32/57/53/599325753.db2.gz JYYVBLSBAHZQLV-NSHDSACASA-N -1 3 341.440 3.728 20 0 EHADHM C[C@H](SCc1noc2c1CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192031 599325755 /nfs/dbraw/zinc/32/57/55/599325755.db2.gz JYYVBLSBAHZQLV-NSHDSACASA-N -1 3 341.440 3.728 20 0 EHADHM Cc1ccc([C@@H](C)Nc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000737321683 599414437 /nfs/dbraw/zinc/41/44/37/599414437.db2.gz UZTVTBQFXREFTO-CYBMUJFWSA-N -1 3 330.395 3.896 20 0 EHADHM Cc1ccc([C@@H](C)Nc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000737321683 599414440 /nfs/dbraw/zinc/41/44/40/599414440.db2.gz UZTVTBQFXREFTO-CYBMUJFWSA-N -1 3 330.395 3.896 20 0 EHADHM c1ccc2c(c1)CC[C@H]2CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000738437691 599435806 /nfs/dbraw/zinc/43/58/06/599435806.db2.gz SVDPZWWZDBSXAO-AWEZNQCLSA-N -1 3 342.406 3.557 20 0 EHADHM c1ccc2c(c1)CC[C@H]2CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000738437691 599435807 /nfs/dbraw/zinc/43/58/07/599435807.db2.gz SVDPZWWZDBSXAO-AWEZNQCLSA-N -1 3 342.406 3.557 20 0 EHADHM FC(F)(F)Cc1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822718230 599446527 /nfs/dbraw/zinc/44/65/27/599446527.db2.gz DBESWCZIZPMTFD-UHFFFAOYSA-N -1 3 333.317 3.584 20 0 EHADHM FC(F)(F)Cc1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822718230 599446529 /nfs/dbraw/zinc/44/65/29/599446529.db2.gz DBESWCZIZPMTFD-UHFFFAOYSA-N -1 3 333.317 3.584 20 0 EHADHM CC[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(C)cc1 ZINC000820925556 599464440 /nfs/dbraw/zinc/46/44/40/599464440.db2.gz JSOKHOGDKGCWHM-CQSZACIVSA-N -1 3 328.807 3.787 20 0 EHADHM CC[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(C)cc1 ZINC000820925556 599464442 /nfs/dbraw/zinc/46/44/42/599464442.db2.gz JSOKHOGDKGCWHM-CQSZACIVSA-N -1 3 328.807 3.787 20 0 EHADHM CC(C)COc1ccccc1CNc1ccc(F)cc1-c1nnn[n-]1 ZINC000820102954 599489964 /nfs/dbraw/zinc/48/99/64/599489964.db2.gz MPOCKRRVWONVQU-UHFFFAOYSA-N -1 3 341.390 3.653 20 0 EHADHM CC(C)COc1ccccc1CNc1ccc(F)cc1-c1nn[n-]n1 ZINC000820102954 599489967 /nfs/dbraw/zinc/48/99/67/599489967.db2.gz MPOCKRRVWONVQU-UHFFFAOYSA-N -1 3 341.390 3.653 20 0 EHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000737419710 599526857 /nfs/dbraw/zinc/52/68/57/599526857.db2.gz APTFGMWSEDMWMC-ZIAGYGMSSA-N -1 3 337.402 3.697 20 0 EHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000737419710 599526859 /nfs/dbraw/zinc/52/68/59/599526859.db2.gz APTFGMWSEDMWMC-ZIAGYGMSSA-N -1 3 337.402 3.697 20 0 EHADHM Fc1ccc(NCc2ccccc2OC2CCC2)c(-c2nnn[n-]2)c1 ZINC000822782915 599565041 /nfs/dbraw/zinc/56/50/41/599565041.db2.gz LXMIQAQHBJQGLB-UHFFFAOYSA-N -1 3 339.374 3.549 20 0 EHADHM Fc1ccc(NCc2ccccc2OC2CCC2)c(-c2nn[n-]n2)c1 ZINC000822782915 599565043 /nfs/dbraw/zinc/56/50/43/599565043.db2.gz LXMIQAQHBJQGLB-UHFFFAOYSA-N -1 3 339.374 3.549 20 0 EHADHM Cc1cccc([C@H]2CCCN2c2cccc(F)c2-c2nnn[n-]2)c1C ZINC000822299791 599577965 /nfs/dbraw/zinc/57/79/65/599577965.db2.gz VCTFNMSPJTUBRL-MRXNPFEDSA-N -1 3 337.402 3.964 20 0 EHADHM Cc1cccc([C@H]2CCCN2c2cccc(F)c2-c2nn[n-]n2)c1C ZINC000822299791 599577966 /nfs/dbraw/zinc/57/79/66/599577966.db2.gz VCTFNMSPJTUBRL-MRXNPFEDSA-N -1 3 337.402 3.964 20 0 EHADHM O=C(Nc1ccccc1-c1nnn[n-]1)C1CCC(c2ccccc2)CC1 ZINC000823367249 599628991 /nfs/dbraw/zinc/62/89/91/599628991.db2.gz HILBRMLSVLZXKM-UHFFFAOYSA-N -1 3 347.422 3.779 20 0 EHADHM O=C(Nc1ccccc1-c1nn[n-]n1)C1CCC(c2ccccc2)CC1 ZINC000823367249 599628992 /nfs/dbraw/zinc/62/89/92/599628992.db2.gz HILBRMLSVLZXKM-UHFFFAOYSA-N -1 3 347.422 3.779 20 0 EHADHM O=C([O-])[C@@H](NCc1cccc(F)c1)c1ccc(Br)cc1 ZINC000426796890 599788607 /nfs/dbraw/zinc/78/86/07/599788607.db2.gz DSEUGAQIRINZGA-AWEZNQCLSA-N -1 3 338.176 3.504 20 0 EHADHM CN(CCCc1cc(-c2ccccc2)no1)Cc1cc(C(=O)[O-])co1 ZINC000571291507 599849916 /nfs/dbraw/zinc/84/99/16/599849916.db2.gz NSJZWJIRZQBHMH-UHFFFAOYSA-N -1 3 340.379 3.697 20 0 EHADHM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCC(c2nccs2)CC1 ZINC000739519274 600403295 /nfs/dbraw/zinc/40/32/95/600403295.db2.gz XNYAYVUSFLSSKA-AWEZNQCLSA-N -1 3 336.844 3.802 20 0 EHADHM O=C([O-])[C@H](NCc1cc(Br)cs1)c1ccc(F)cc1 ZINC000739498556 600425574 /nfs/dbraw/zinc/42/55/74/600425574.db2.gz AOTTWANBNZUAGQ-GFCCVEGCSA-N -1 3 344.205 3.565 20 0 EHADHM O=C([O-])c1cccc(CN2CCC(Oc3ccc(F)cc3)CC2)c1 ZINC000263480492 600629619 /nfs/dbraw/zinc/62/96/19/600629619.db2.gz NUFOXKYDUJUBBH-UHFFFAOYSA-N -1 3 329.371 3.567 20 0 EHADHM CC(C)c1ccc(OCCN[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000827129485 600739572 /nfs/dbraw/zinc/73/95/72/600739572.db2.gz OAQSQJGKSRVEOB-SFHVURJKSA-N -1 3 331.387 3.743 20 0 EHADHM CO[C@@H](CN[C@@H](C(=O)[O-])c1ccccc1F)c1ccc(Cl)cc1 ZINC000831519329 600755335 /nfs/dbraw/zinc/75/53/35/600755335.db2.gz MHOJTLIJGVLEIJ-JKSUJKDBSA-N -1 3 337.778 3.582 20 0 EHADHM Cc1ccc(CN(C)CCOc2ccc(C(=O)[O-])cc2Cl)s1 ZINC000582127273 600824242 /nfs/dbraw/zinc/82/42/42/600824242.db2.gz NVTZZHDLOUDWHC-UHFFFAOYSA-N -1 3 339.844 3.919 20 0 EHADHM CCO[C@H](C)c1nc(CNC2(CC(=O)[O-])CCCCC2)cs1 ZINC000829900967 601553730 /nfs/dbraw/zinc/55/37/30/601553730.db2.gz HSBXMVWZMDOUQL-GFCCVEGCSA-N -1 3 326.462 3.508 20 0 EHADHM Cc1csc([C@@H]2CCCN(Cc3ccc(C(=O)[O-])c(F)c3)C2)n1 ZINC000583392634 601624937 /nfs/dbraw/zinc/62/49/37/601624937.db2.gz LRDROVBSONSKMH-CYBMUJFWSA-N -1 3 334.416 3.668 20 0 EHADHM Cc1sc(C(=O)[O-])cc1CN1CCCO[C@H](c2ccccc2)C1 ZINC000833033103 601629844 /nfs/dbraw/zinc/62/98/44/601629844.db2.gz VIBJVECSBNJXAF-INIZCTEOSA-N -1 3 331.437 3.718 20 0 EHADHM O=C([O-])c1cc(CN[C@@H](COc2ccccc2)c2ccccc2)c[nH]1 ZINC000833296781 601834067 /nfs/dbraw/zinc/83/40/67/601834067.db2.gz WPSVRUVSECAVDS-IBGZPJMESA-N -1 3 336.391 3.623 20 0 EHADHM O=C([O-])c1ccc(CN2CC[C@H](OCCCc3ccccc3)C2)s1 ZINC000565105117 601963187 /nfs/dbraw/zinc/96/31/87/601963187.db2.gz NXJUHSYEYRVRRW-INIZCTEOSA-N -1 3 345.464 3.670 20 0 EHADHM O=C([O-])NCCc1ccc(CNCc2ccc(Cl)c(F)c2)cc1 ZINC000740672748 602003849 /nfs/dbraw/zinc/00/38/49/602003849.db2.gz SOXSNVPIBQYCGU-UHFFFAOYSA-N -1 3 336.794 3.579 20 0 EHADHM C[C@@H](CCC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824401290 607540622 /nfs/dbraw/zinc/54/06/22/607540622.db2.gz PMFYAUSXWWTOAL-GJZGRUSLSA-N -1 3 349.438 3.628 20 0 EHADHM C[C@@H](CCC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824401290 607540623 /nfs/dbraw/zinc/54/06/23/607540623.db2.gz PMFYAUSXWWTOAL-GJZGRUSLSA-N -1 3 349.438 3.628 20 0 EHADHM COc1ccc(CSc2ccc3ccccc3n2)cc1-c1nnn[n-]1 ZINC000826207938 607540932 /nfs/dbraw/zinc/54/09/32/607540932.db2.gz LGJVILRTMAUVBX-UHFFFAOYSA-N -1 3 349.419 3.716 20 0 EHADHM COc1ccc(CSc2ccc3ccccc3n2)cc1-c1nn[n-]n1 ZINC000826207938 607540933 /nfs/dbraw/zinc/54/09/33/607540933.db2.gz LGJVILRTMAUVBX-UHFFFAOYSA-N -1 3 349.419 3.716 20 0 EHADHM CC[C@](C)(CC(=O)[O-])NCc1csc(-c2cccc(OC)c2)n1 ZINC000828672633 602216689 /nfs/dbraw/zinc/21/66/89/602216689.db2.gz UMNJRENRDOAJJV-QGZVFWFLSA-N -1 3 334.441 3.552 20 0 EHADHM O=C([O-])c1sccc1CN1CCC[C@@H]1CC(=O)c1ccccc1 ZINC000833097986 602240562 /nfs/dbraw/zinc/24/05/62/602240562.db2.gz VQYXWTHPFSOAGM-OAHLLOKOSA-N -1 3 329.421 3.684 20 0 EHADHM O=C([O-])N1CCC(CN(Cc2ccco2)Cc2cccs2)CC1 ZINC000740501445 602257461 /nfs/dbraw/zinc/25/74/61/602257461.db2.gz UZQWIABJZHCEBY-UHFFFAOYSA-N -1 3 334.441 3.733 20 0 EHADHM O=C([O-])Nc1ccc(OC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000738669973 602961386 /nfs/dbraw/zinc/96/13/86/602961386.db2.gz WYHYHZGYTRUWQE-UHFFFAOYSA-N -1 3 340.379 3.592 20 0 EHADHM Cc1cc(-c2nnn[n-]2)ccc1-c1nc(-c2ccccc2Cl)no1 ZINC000826243331 607660111 /nfs/dbraw/zinc/66/01/11/607660111.db2.gz DKKVGZFGPRXRSO-UHFFFAOYSA-N -1 3 338.758 3.546 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1-c1nc(-c2ccccc2Cl)no1 ZINC000826243331 607660113 /nfs/dbraw/zinc/66/01/13/607660113.db2.gz DKKVGZFGPRXRSO-UHFFFAOYSA-N -1 3 338.758 3.546 20 0 EHADHM Cc1nn(-c2ccccc2)c(Cl)c1CN(C)C1(C(=O)[O-])CCCC1 ZINC000833011927 604457699 /nfs/dbraw/zinc/45/76/99/604457699.db2.gz STBMEMDWEMBCNZ-UHFFFAOYSA-N -1 3 347.846 3.663 20 0 EHADHM O=C([O-])[C@@H](NCc1ccc(COc2ccccc2)cc1)c1cccnc1 ZINC000833165163 604993675 /nfs/dbraw/zinc/99/36/75/604993675.db2.gz GELOXJDHSOHQDQ-FQEVSTJZSA-N -1 3 348.402 3.576 20 0 EHADHM C[C@H](Oc1ccc(CNC(C)(C)c2ccc(F)cc2)cc1)C(=O)[O-] ZINC000833541765 605091360 /nfs/dbraw/zinc/09/13/60/605091360.db2.gz SQJOTNCIOPBMSN-ZDUSSCGKSA-N -1 3 331.387 3.703 20 0 EHADHM CC1=C(C(=O)[O-])C[C@H](CN[C@@H](CC(F)(F)F)c2ccc(F)cc2)O1 ZINC000833580945 605387087 /nfs/dbraw/zinc/38/70/87/605387087.db2.gz SYAVHVQIJMQKII-OCCSQVGLSA-N -1 3 347.308 3.556 20 0 EHADHM C[C@@H]1CC[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000824915737 607757334 /nfs/dbraw/zinc/75/73/34/607757334.db2.gz HYTZKLAFZLYYGO-PXAZEXFGSA-N -1 3 348.410 3.627 20 0 EHADHM C[C@@H]1CC[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000824915737 607757335 /nfs/dbraw/zinc/75/73/35/607757335.db2.gz HYTZKLAFZLYYGO-PXAZEXFGSA-N -1 3 348.410 3.627 20 0 EHADHM CC(C)N(CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])C(C)C ZINC000833497419 605471685 /nfs/dbraw/zinc/47/16/85/605471685.db2.gz XYLSGEBUVVHVJL-UHFFFAOYSA-N -1 3 347.242 3.749 20 0 EHADHM O=C([O-])N1CCc2cccc(CN3CCC(c4nccs4)CC3)c21 ZINC000834122688 605580426 /nfs/dbraw/zinc/58/04/26/605580426.db2.gz KDZULHHCVRXYEM-UHFFFAOYSA-N -1 3 343.452 3.563 20 0 EHADHM O=C([O-])c1ccc(F)c(CN[C@@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000833780690 605845416 /nfs/dbraw/zinc/84/54/16/605845416.db2.gz AJUWOGDSBMTTPY-KUHUBIRLSA-N -1 3 343.398 3.781 20 0 EHADHM O=C([O-])NCCCN[C@H](c1ccccc1)c1ccc2ccccc2n1 ZINC000834237888 605878796 /nfs/dbraw/zinc/87/87/96/605878796.db2.gz RYISGWZDGNRSHH-LJQANCHMSA-N -1 3 335.407 3.572 20 0 EHADHM C[C@H](Nc1ccc(-c2nnn[n-]2)nc1)c1ccc(Cl)c(Cl)c1 ZINC000820455356 606026622 /nfs/dbraw/zinc/02/66/22/606026622.db2.gz HPIGZPRGAAFMTH-QMMMGPOBSA-N -1 3 335.198 3.742 20 0 EHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)nc1)c1ccc(Cl)c(Cl)c1 ZINC000820455356 606026626 /nfs/dbraw/zinc/02/66/26/606026626.db2.gz HPIGZPRGAAFMTH-QMMMGPOBSA-N -1 3 335.198 3.742 20 0 EHADHM Cc1cc(C=Cc2ccc(-c3nnn[n-]3)cn2)ccc1Br ZINC000822198619 606050650 /nfs/dbraw/zinc/05/06/50/606050650.db2.gz CLHPWCBRLMBVEO-DJWKRKHSSA-N -1 3 342.200 3.503 20 0 EHADHM Cc1cc(C=Cc2ccc(-c3nn[n-]n3)cn2)ccc1Br ZINC000822198619 606050656 /nfs/dbraw/zinc/05/06/56/606050656.db2.gz CLHPWCBRLMBVEO-DJWKRKHSSA-N -1 3 342.200 3.503 20 0 EHADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)c1cc(Cl)ccc1Cl ZINC000820455736 606061685 /nfs/dbraw/zinc/06/16/85/606061685.db2.gz MYOGRTHLFSDWEB-MRVPVSSYSA-N -1 3 335.198 3.742 20 0 EHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)c1cc(Cl)ccc1Cl ZINC000820455736 606061689 /nfs/dbraw/zinc/06/16/89/606061689.db2.gz MYOGRTHLFSDWEB-MRVPVSSYSA-N -1 3 335.198 3.742 20 0 EHADHM Clc1cc(CSc2cccc(-c3nnn[n-]3)c2)cc(Cl)n1 ZINC000822567403 606325974 /nfs/dbraw/zinc/32/59/74/606325974.db2.gz APNOWSYEZZFLFQ-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM Clc1cc(CSc2cccc(-c3nn[n-]n3)c2)cc(Cl)n1 ZINC000822567403 606325976 /nfs/dbraw/zinc/32/59/76/606325976.db2.gz APNOWSYEZZFLFQ-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM c1nc(CSc2cccc(-c3nnn[n-]3)c2)oc1-c1ccccc1 ZINC000823767208 606328808 /nfs/dbraw/zinc/32/88/08/606328808.db2.gz PTSSOWBGAWJETK-UHFFFAOYSA-N -1 3 335.392 3.814 20 0 EHADHM c1nc(CSc2cccc(-c3nn[n-]n3)c2)oc1-c1ccccc1 ZINC000823767208 606328810 /nfs/dbraw/zinc/32/88/10/606328810.db2.gz PTSSOWBGAWJETK-UHFFFAOYSA-N -1 3 335.392 3.814 20 0 EHADHM C[C@H](SCc1cccnc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820550130 606362851 /nfs/dbraw/zinc/36/28/51/606362851.db2.gz USHCUNHPGJQBGJ-JTQLQIEISA-N -1 3 331.832 3.910 20 0 EHADHM C[C@H](SCc1cccnc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820550130 606362853 /nfs/dbraw/zinc/36/28/53/606362853.db2.gz USHCUNHPGJQBGJ-JTQLQIEISA-N -1 3 331.832 3.910 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000822743861 606447415 /nfs/dbraw/zinc/44/74/15/606447415.db2.gz HAAOWBGOTAICML-ZJUUUORDSA-N -1 3 329.301 3.539 20 0 EHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(c1ccccc1)C1CCCC1 ZINC000823466350 606509929 /nfs/dbraw/zinc/50/99/29/606509929.db2.gz JSOSNGRHWODARY-UHFFFAOYSA-N -1 3 339.424 3.518 20 0 EHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(c1ccccc1)C1CCCC1 ZINC000823466350 606509931 /nfs/dbraw/zinc/50/99/31/606509931.db2.gz JSOSNGRHWODARY-UHFFFAOYSA-N -1 3 339.424 3.518 20 0 EHADHM Cc1ccc(C)c(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000822231929 606597339 /nfs/dbraw/zinc/59/73/39/606597339.db2.gz MYUSJNMHZNPAJH-UHFFFAOYSA-N -1 3 345.353 3.697 20 0 EHADHM Cc1ccc(C)c(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000822231929 606597341 /nfs/dbraw/zinc/59/73/41/606597341.db2.gz MYUSJNMHZNPAJH-UHFFFAOYSA-N -1 3 345.353 3.697 20 0 EHADHM CC(C)(C)c1nc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)cs1 ZINC000819965402 606656218 /nfs/dbraw/zinc/65/62/18/606656218.db2.gz FMVKSKPDQSBCJQ-UHFFFAOYSA-N -1 3 348.863 3.886 20 0 EHADHM CC(C)(C)c1nc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)cs1 ZINC000819965402 606656219 /nfs/dbraw/zinc/65/62/19/606656219.db2.gz FMVKSKPDQSBCJQ-UHFFFAOYSA-N -1 3 348.863 3.886 20 0 EHADHM Cc1ccc(-c2nc(CNc3cccc(-c4nnn[n-]4)c3)cs2)cc1 ZINC000822213775 606660134 /nfs/dbraw/zinc/66/01/34/606660134.db2.gz AIDZTKNSGMQABF-UHFFFAOYSA-N -1 3 348.435 3.911 20 0 EHADHM Cc1ccc(-c2nc(CNc3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000822213775 606660135 /nfs/dbraw/zinc/66/01/35/606660135.db2.gz AIDZTKNSGMQABF-UHFFFAOYSA-N -1 3 348.435 3.911 20 0 EHADHM C[C@@H](SCc1cnc(Cl)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820550634 606987283 /nfs/dbraw/zinc/98/72/83/606987283.db2.gz YDICIXUBEUBEFU-MRVPVSSYSA-N -1 3 337.861 3.971 20 0 EHADHM C[C@@H](SCc1cnc(Cl)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820550634 606987284 /nfs/dbraw/zinc/98/72/84/606987284.db2.gz YDICIXUBEUBEFU-MRVPVSSYSA-N -1 3 337.861 3.971 20 0 EHADHM Fc1ccc(CSCc2cnc(Cl)s2)c(-c2nnn[n-]2)c1 ZINC000822774855 606987498 /nfs/dbraw/zinc/98/74/98/606987498.db2.gz PREVXFDTLWXTAB-UHFFFAOYSA-N -1 3 341.824 3.549 20 0 EHADHM Fc1ccc(CSCc2cnc(Cl)s2)c(-c2nn[n-]n2)c1 ZINC000822774855 606987501 /nfs/dbraw/zinc/98/75/01/606987501.db2.gz PREVXFDTLWXTAB-UHFFFAOYSA-N -1 3 341.824 3.549 20 0 EHADHM CC=C(C=CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C)CC ZINC000820825705 607012637 /nfs/dbraw/zinc/01/26/37/607012637.db2.gz BLMOXKKJOZTBIV-GCRMBOBKSA-N -1 3 339.443 3.516 20 0 EHADHM CC=C(C=CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C)CC ZINC000820825705 607012639 /nfs/dbraw/zinc/01/26/39/607012639.db2.gz BLMOXKKJOZTBIV-GCRMBOBKSA-N -1 3 339.443 3.516 20 0 EHADHM CCc1c(C)sc(NC(=O)C[C@@H]2CC[C@H](C)C2)c1-c1nnn[n-]1 ZINC000821465606 607088975 /nfs/dbraw/zinc/08/89/75/607088975.db2.gz KJJCRQUKDPZZHP-GXSJLCMTSA-N -1 3 333.461 3.564 20 0 EHADHM CCc1c(C)sc(NC(=O)C[C@@H]2CC[C@H](C)C2)c1-c1nn[n-]n1 ZINC000821465606 607088977 /nfs/dbraw/zinc/08/89/77/607088977.db2.gz KJJCRQUKDPZZHP-GXSJLCMTSA-N -1 3 333.461 3.564 20 0 EHADHM Cc1coc(-c2ccc(C)c(NCc3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000822403651 607125857 /nfs/dbraw/zinc/12/58/57/607125857.db2.gz RLEFTCKQKGHURU-UHFFFAOYSA-N -1 3 346.394 3.751 20 0 EHADHM Cc1coc(-c2ccc(C)c(NCc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000822403651 607125858 /nfs/dbraw/zinc/12/58/58/607125858.db2.gz RLEFTCKQKGHURU-UHFFFAOYSA-N -1 3 346.394 3.751 20 0 EHADHM CC(=CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000819764550 607188759 /nfs/dbraw/zinc/18/87/59/607188759.db2.gz JGNWEAYGUGNLBP-PKNBQFBNSA-N -1 3 339.786 3.562 20 0 EHADHM CC(=CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000819764550 607188760 /nfs/dbraw/zinc/18/87/60/607188760.db2.gz JGNWEAYGUGNLBP-PKNBQFBNSA-N -1 3 339.786 3.562 20 0 EHADHM CCCCC[C@@H]1CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000821049922 607194144 /nfs/dbraw/zinc/19/41/44/607194144.db2.gz NXSVIZDHENRWAP-OAHLLOKOSA-N -1 3 342.447 3.752 20 0 EHADHM CCCCC[C@@H]1CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000821049922 607194145 /nfs/dbraw/zinc/19/41/45/607194145.db2.gz NXSVIZDHENRWAP-OAHLLOKOSA-N -1 3 342.447 3.752 20 0 EHADHM CCC(CC)N(C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC000820893599 607197390 /nfs/dbraw/zinc/19/73/90/607197390.db2.gz STEPZSHIAKGHMV-UHFFFAOYSA-N -1 3 348.838 3.705 20 0 EHADHM CCC(CC)N(C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC000820893599 607197391 /nfs/dbraw/zinc/19/73/91/607197391.db2.gz STEPZSHIAKGHMV-UHFFFAOYSA-N -1 3 348.838 3.705 20 0 EHADHM CCN(C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C1CCCCC1 ZINC000821153423 607199071 /nfs/dbraw/zinc/19/90/71/607199071.db2.gz BUQLDVBZMPLHSX-UHFFFAOYSA-N -1 3 348.838 3.707 20 0 EHADHM CCN(C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C1CCCCC1 ZINC000821153423 607199072 /nfs/dbraw/zinc/19/90/72/607199072.db2.gz BUQLDVBZMPLHSX-UHFFFAOYSA-N -1 3 348.838 3.707 20 0 EHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(C(F)F)cc1 ZINC000823318663 607241711 /nfs/dbraw/zinc/24/17/11/607241711.db2.gz GTFQLCAMIMUBJJ-UHFFFAOYSA-N -1 3 349.728 3.710 20 0 EHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(C(F)F)cc1 ZINC000823318663 607241712 /nfs/dbraw/zinc/24/17/12/607241712.db2.gz GTFQLCAMIMUBJJ-UHFFFAOYSA-N -1 3 349.728 3.710 20 0 EHADHM CCN(C(=O)C[C@@H](C)c1ccccc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367958 607798282 /nfs/dbraw/zinc/79/82/82/607798282.db2.gz YHJMAFLIIICHLL-OAHLLOKOSA-N -1 3 349.438 3.722 20 0 EHADHM CCN(C(=O)C[C@@H](C)c1ccccc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367958 607798283 /nfs/dbraw/zinc/79/82/83/607798283.db2.gz YHJMAFLIIICHLL-OAHLLOKOSA-N -1 3 349.438 3.722 20 0 EHADHM CN(C(=O)CCC(C)(C)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000825817441 607817566 /nfs/dbraw/zinc/81/75/66/607817566.db2.gz JLIHOQOQQQSBIR-UHFFFAOYSA-N -1 3 349.438 3.588 20 0 EHADHM CN(C(=O)CCC(C)(C)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000825817441 607817567 /nfs/dbraw/zinc/81/75/67/607817567.db2.gz JLIHOQOQQQSBIR-UHFFFAOYSA-N -1 3 349.438 3.588 20 0 EHADHM Cc1sc(NC(=O)C(C)(C)C2CCCC2)c(-c2nnn[n-]2)c1C ZINC000826349524 607962573 /nfs/dbraw/zinc/96/25/73/607962573.db2.gz KWRCUVSCOGOKLL-UHFFFAOYSA-N -1 3 333.461 3.700 20 0 EHADHM Cc1sc(NC(=O)C(C)(C)C2CCCC2)c(-c2nn[n-]n2)c1C ZINC000826349524 607962574 /nfs/dbraw/zinc/96/25/74/607962574.db2.gz KWRCUVSCOGOKLL-UHFFFAOYSA-N -1 3 333.461 3.700 20 0 EHADHM CCCC(=CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)CCC ZINC000825219417 608160139 /nfs/dbraw/zinc/16/01/39/608160139.db2.gz JFXKSLPBXWFUSK-CYBMUJFWSA-N -1 3 327.432 3.571 20 0 EHADHM CCCC(=CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)CCC ZINC000825219417 608160140 /nfs/dbraw/zinc/16/01/40/608160140.db2.gz JFXKSLPBXWFUSK-CYBMUJFWSA-N -1 3 327.432 3.571 20 0 EHADHM Cc1ccc2ncnc(Oc3ccc(-c4nnn[n-]4)cc3Cl)c2c1 ZINC000826295756 608172223 /nfs/dbraw/zinc/17/22/23/608172223.db2.gz WSESWPHKFBXVHG-UHFFFAOYSA-N -1 3 338.758 3.564 20 0 EHADHM Cc1ccc2ncnc(Oc3ccc(-c4nn[n-]n4)cc3Cl)c2c1 ZINC000826295756 608172224 /nfs/dbraw/zinc/17/22/24/608172224.db2.gz WSESWPHKFBXVHG-UHFFFAOYSA-N -1 3 338.758 3.564 20 0 EHADHM C[C@H](OC(=O)[C@H]1CCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000824713716 608184775 /nfs/dbraw/zinc/18/47/75/608184775.db2.gz KEBACSLHXCESGT-UGSOOPFHSA-N -1 3 348.406 3.591 20 0 EHADHM C[C@H](OC(=O)[C@H]1CCCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000824713716 608184776 /nfs/dbraw/zinc/18/47/76/608184776.db2.gz KEBACSLHXCESGT-UGSOOPFHSA-N -1 3 348.406 3.591 20 0 EHADHM CC[C@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1c(C)noc1C ZINC000825147330 608234673 /nfs/dbraw/zinc/23/46/73/608234673.db2.gz IHCPFYBBZGRASS-AWEZNQCLSA-N -1 3 349.398 3.583 20 0 EHADHM CC[C@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1c(C)noc1C ZINC000825147330 608234675 /nfs/dbraw/zinc/23/46/75/608234675.db2.gz IHCPFYBBZGRASS-AWEZNQCLSA-N -1 3 349.398 3.583 20 0 EHADHM Clc1cc(Oc2ccc(-c3nnn[n-]3)cc2Cl)nc(C2CC2)n1 ZINC000826351331 608391892 /nfs/dbraw/zinc/39/18/92/608391892.db2.gz IOLLIPRRBRFEPW-UHFFFAOYSA-N -1 3 349.181 3.633 20 0 EHADHM Clc1cc(Oc2ccc(-c3nn[n-]n3)cc2Cl)nc(C2CC2)n1 ZINC000826351331 608391895 /nfs/dbraw/zinc/39/18/95/608391895.db2.gz IOLLIPRRBRFEPW-UHFFFAOYSA-N -1 3 349.181 3.633 20 0 EHADHM CC[C@@H](C)n1ncc(NCc2ccc(-c3nnn[n-]3)s2)c1C1CC1 ZINC000825082071 608427571 /nfs/dbraw/zinc/42/75/71/608427571.db2.gz PWEXLDLATGNDFW-SNVBAGLBSA-N -1 3 343.460 3.585 20 0 EHADHM CC[C@@H](C)n1ncc(NCc2ccc(-c3nnn[n-]3)cc2)c1C1CC1 ZINC000825082422 608427621 /nfs/dbraw/zinc/42/76/21/608427621.db2.gz TWNGWRBYTRNFCX-GFCCVEGCSA-N -1 3 337.431 3.524 20 0 EHADHM CC[C@@H](C)n1ncc(NCc2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC000825082422 608427623 /nfs/dbraw/zinc/42/76/23/608427623.db2.gz TWNGWRBYTRNFCX-GFCCVEGCSA-N -1 3 337.431 3.524 20 0 EHADHM C[C@H](NCc1cccc(-c2nnn[n-]2)c1F)c1ccc(F)cc1Cl ZINC000824618916 608535309 /nfs/dbraw/zinc/53/53/09/608535309.db2.gz SAKNNTCUWRAZCN-VIFPVBQESA-N -1 3 349.772 3.649 20 0 EHADHM C[C@H](NCc1cccc(-c2nn[n-]n2)c1F)c1ccc(F)cc1Cl ZINC000824618916 608535311 /nfs/dbraw/zinc/53/53/11/608535311.db2.gz SAKNNTCUWRAZCN-VIFPVBQESA-N -1 3 349.772 3.649 20 0 EHADHM C[C@H](NCc1cccc(-c2nnn[n-]2)c1F)c1ccccc1Cl ZINC000824617882 608649158 /nfs/dbraw/zinc/64/91/58/608649158.db2.gz KXXMNDYGNQTCRE-JTQLQIEISA-N -1 3 331.782 3.510 20 0 EHADHM C[C@H](NCc1cccc(-c2nn[n-]n2)c1F)c1ccccc1Cl ZINC000824617882 608649162 /nfs/dbraw/zinc/64/91/62/608649162.db2.gz KXXMNDYGNQTCRE-JTQLQIEISA-N -1 3 331.782 3.510 20 0 EHADHM CC(C)[C@@H](c1ccccc1Cl)N(C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000824215834 608703384 /nfs/dbraw/zinc/70/33/84/608703384.db2.gz MRKADHJICUKLRT-INIZCTEOSA-N -1 3 345.834 3.942 20 0 EHADHM Cc1ccc(-c2ncc(CNc3cccc(-c4nnn[n-]4)c3)s2)cc1 ZINC000826273595 608868413 /nfs/dbraw/zinc/86/84/13/608868413.db2.gz LPHCVUAXSZYZAB-UHFFFAOYSA-N -1 3 348.435 3.911 20 0 EHADHM Cc1ccc(-c2ncc(CNc3cccc(-c4nn[n-]n4)c3)s2)cc1 ZINC000826273595 608868416 /nfs/dbraw/zinc/86/84/16/608868416.db2.gz LPHCVUAXSZYZAB-UHFFFAOYSA-N -1 3 348.435 3.911 20 0 EHADHM CC(C)C[C@H]1C[C@@H](Nc2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000824243414 609170614 /nfs/dbraw/zinc/17/06/14/609170614.db2.gz FSLAJUSIYYCTBQ-STQMWFEESA-N -1 3 335.839 3.526 20 0 EHADHM CC(C)C[C@H]1C[C@@H](Nc2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000824243414 609170616 /nfs/dbraw/zinc/17/06/16/609170616.db2.gz FSLAJUSIYYCTBQ-STQMWFEESA-N -1 3 335.839 3.526 20 0 EHADHM Cc1ccc2nc(NCc3ccc(-c4nnn[n-]4)cc3F)sc2c1 ZINC000826295303 609264856 /nfs/dbraw/zinc/26/48/56/609264856.db2.gz BLNBVHCNASRSPB-UHFFFAOYSA-N -1 3 340.387 3.536 20 0 EHADHM Cc1ccc2nc(NCc3ccc(-c4nn[n-]n4)cc3F)sc2c1 ZINC000826295303 609264859 /nfs/dbraw/zinc/26/48/59/609264859.db2.gz BLNBVHCNASRSPB-UHFFFAOYSA-N -1 3 340.387 3.536 20 0 EHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1ccc(CF)cc1 ZINC000826167815 609267625 /nfs/dbraw/zinc/26/76/25/609267625.db2.gz RSKPLBMAIUVUSL-UHFFFAOYSA-N -1 3 348.765 3.577 20 0 EHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCc1ccc(CF)cc1 ZINC000826167815 609267627 /nfs/dbraw/zinc/26/76/27/609267627.db2.gz RSKPLBMAIUVUSL-UHFFFAOYSA-N -1 3 348.765 3.577 20 0 EHADHM C[C@H](Nc1cc(F)cc(Cl)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824650321 609273248 /nfs/dbraw/zinc/27/32/48/609273248.db2.gz QRTDRHKPFIGGPO-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@H](Nc1cc(F)cc(Cl)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824650321 609273249 /nfs/dbraw/zinc/27/32/49/609273249.db2.gz QRTDRHKPFIGGPO-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@@H](Nc1ccc2c(c1)CC(C)(C)O2)c1cccc(-c2nnn[n-]2)c1 ZINC000824657200 609279195 /nfs/dbraw/zinc/27/91/95/609279195.db2.gz PPEUWIJMDNVQMB-GFCCVEGCSA-N -1 3 335.411 3.753 20 0 EHADHM C[C@@H](Nc1ccc2c(c1)CC(C)(C)O2)c1cccc(-c2nn[n-]n2)c1 ZINC000824657200 609279196 /nfs/dbraw/zinc/27/91/96/609279196.db2.gz PPEUWIJMDNVQMB-GFCCVEGCSA-N -1 3 335.411 3.753 20 0 EHADHM Cc1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)nn1-c1ccccc1 ZINC000826270446 609281752 /nfs/dbraw/zinc/28/17/52/609281752.db2.gz AKTDVUYTGLSOQF-CQSZACIVSA-N -1 3 345.410 3.534 20 0 EHADHM Cc1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)nn1-c1ccccc1 ZINC000826270446 609281754 /nfs/dbraw/zinc/28/17/54/609281754.db2.gz AKTDVUYTGLSOQF-CQSZACIVSA-N -1 3 345.410 3.534 20 0 EHADHM CCc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000825717511 609347862 /nfs/dbraw/zinc/34/78/62/609347862.db2.gz NOKUWANIZAZKCT-JTQLQIEISA-N -1 3 329.354 3.880 20 0 EHADHM CCc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000825717511 609347865 /nfs/dbraw/zinc/34/78/65/609347865.db2.gz NOKUWANIZAZKCT-JTQLQIEISA-N -1 3 329.354 3.880 20 0 EHADHM Fc1ccc(C(F)(F)F)cc1CNc1cccc(-c2nnn[n-]2)c1 ZINC000826373787 609474673 /nfs/dbraw/zinc/47/46/73/609474673.db2.gz ZIEXSSRHTSXEPX-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Fc1ccc(C(F)(F)F)cc1CNc1cccc(-c2nn[n-]n2)c1 ZINC000826373787 609474676 /nfs/dbraw/zinc/47/46/76/609474676.db2.gz ZIEXSSRHTSXEPX-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1nc(-c2ccccc2)cs1 ZINC000826278411 609479704 /nfs/dbraw/zinc/47/97/04/609479704.db2.gz AXIYXQHPNWKUFD-UHFFFAOYSA-N -1 3 348.435 3.911 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1nc(-c2ccccc2)cs1 ZINC000826278411 609479705 /nfs/dbraw/zinc/47/97/05/609479705.db2.gz AXIYXQHPNWKUFD-UHFFFAOYSA-N -1 3 348.435 3.911 20 0 EHADHM Cc1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)nn1[C@@H](C)C1CC1 ZINC000826270675 609508499 /nfs/dbraw/zinc/50/84/99/609508499.db2.gz KGRSEEKMSCMWRF-STQMWFEESA-N -1 3 337.431 3.516 20 0 EHADHM Cc1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)nn1[C@@H](C)C1CC1 ZINC000826270675 609508503 /nfs/dbraw/zinc/50/85/03/609508503.db2.gz KGRSEEKMSCMWRF-STQMWFEESA-N -1 3 337.431 3.516 20 0 EHADHM C[C@@H](C(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1)C1CC1 ZINC000819877151 945304098 /nfs/dbraw/zinc/30/40/98/945304098.db2.gz PRXHEFYJLCVKKN-SNVBAGLBSA-N -1 3 339.424 3.580 20 0 EHADHM C[C@@H](C(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1)C1CC1 ZINC000819877151 945304104 /nfs/dbraw/zinc/30/41/04/945304104.db2.gz PRXHEFYJLCVKKN-SNVBAGLBSA-N -1 3 339.424 3.580 20 0 EHADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc2ccccc2c1 ZINC000439803505 944634673 /nfs/dbraw/zinc/63/46/73/944634673.db2.gz FWVCFBZPCCIKPM-CYBMUJFWSA-N -1 3 343.390 3.762 20 0 EHADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2ccccc2c1 ZINC000439803505 944634677 /nfs/dbraw/zinc/63/46/77/944634677.db2.gz FWVCFBZPCCIKPM-CYBMUJFWSA-N -1 3 343.390 3.762 20 0 EHADHM Cc1cc(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc(C)c1F ZINC000737227422 945015554 /nfs/dbraw/zinc/01/55/54/945015554.db2.gz LMSPIEYWKVNIQX-UHFFFAOYSA-N -1 3 342.399 3.598 20 0 EHADHM Cc1cc(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc(C)c1F ZINC000737227422 945015564 /nfs/dbraw/zinc/01/55/64/945015564.db2.gz LMSPIEYWKVNIQX-UHFFFAOYSA-N -1 3 342.399 3.598 20 0 EHADHM C[C@H](Nc1ccc2ccc(F)cc2n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820460993 945457935 /nfs/dbraw/zinc/45/79/35/945457935.db2.gz DHKRHSGLRJPGJO-NSHDSACASA-N -1 3 334.358 3.727 20 0 EHADHM C[C@H](Nc1ccc2ccc(F)cc2n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820460993 945457943 /nfs/dbraw/zinc/45/79/43/945457943.db2.gz DHKRHSGLRJPGJO-NSHDSACASA-N -1 3 334.358 3.727 20 0 EHADHM C[C@@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)c1cc(F)ccc1F ZINC000824529572 946765206 /nfs/dbraw/zinc/76/52/06/946765206.db2.gz HCYUKQOZTFALCN-VHSXEESVSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)c1cc(F)ccc1F ZINC000824529572 946765214 /nfs/dbraw/zinc/76/52/14/946765214.db2.gz HCYUKQOZTFALCN-VHSXEESVSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@@H](NCC(F)(F)F)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824571047 946811032 /nfs/dbraw/zinc/81/10/32/946811032.db2.gz PKKUBZNJWMMMGN-LLVKDONJSA-N -1 3 347.344 3.747 20 0 EHADHM C[C@@H](NCC(F)(F)F)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824571047 946811038 /nfs/dbraw/zinc/81/10/38/946811038.db2.gz PKKUBZNJWMMMGN-LLVKDONJSA-N -1 3 347.344 3.747 20 0 EHADHM CC[C@@H](C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825050081 947059438 /nfs/dbraw/zinc/05/94/38/947059438.db2.gz GOKQHXKMIJPWIS-KGLIPLIRSA-N -1 3 349.438 3.757 20 0 EHADHM CC[C@@H](C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825050081 947059450 /nfs/dbraw/zinc/05/94/50/947059450.db2.gz GOKQHXKMIJPWIS-KGLIPLIRSA-N -1 3 349.438 3.757 20 0 EHADHM C[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1nc(C(C)(C)C)cs1 ZINC000459395787 1032059519 /nfs/dbraw/zinc/05/95/19/1032059519.db2.gz BNOZEDZKISKWFM-JTQLQIEISA-N -1 3 332.473 3.664 20 0 EHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCCCc2ccccc21 ZINC000826244893 947723108 /nfs/dbraw/zinc/72/31/08/947723108.db2.gz HBSMIICQAKXGNP-UHFFFAOYSA-N -1 3 347.422 3.548 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCCCc2ccccc21 ZINC000826244893 947723112 /nfs/dbraw/zinc/72/31/12/947723112.db2.gz HBSMIICQAKXGNP-UHFFFAOYSA-N -1 3 347.422 3.548 20 0 EHADHM Cc1ccnc(N[C@@H](C)c2ccccc2OC(C)C)c1-c1nnn[n-]1 ZINC000826311773 947902944 /nfs/dbraw/zinc/90/29/44/947902944.db2.gz MZMPOMDODGKUAL-ZDUSSCGKSA-N -1 3 338.415 3.530 20 0 EHADHM Cc1ccnc(N[C@@H](C)c2ccccc2OC(C)C)c1-c1nn[n-]n1 ZINC000826311773 947902951 /nfs/dbraw/zinc/90/29/51/947902951.db2.gz MZMPOMDODGKUAL-ZDUSSCGKSA-N -1 3 338.415 3.530 20 0 EHADHM Cc1ccnc(N[C@H](c2ccc(F)cc2)C2CCC2)c1-c1nnn[n-]1 ZINC000826312274 947904999 /nfs/dbraw/zinc/90/49/99/947904999.db2.gz ZXUAXJBUSBYXBQ-INIZCTEOSA-N -1 3 338.390 3.663 20 0 EHADHM Cc1ccnc(N[C@H](c2ccc(F)cc2)C2CCC2)c1-c1nn[n-]n1 ZINC000826312274 947905007 /nfs/dbraw/zinc/90/50/07/947905007.db2.gz ZXUAXJBUSBYXBQ-INIZCTEOSA-N -1 3 338.390 3.663 20 0 EHADHM C[C@@H](CCC(=O)Nc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC001460783508 948525820 /nfs/dbraw/zinc/52/58/20/948525820.db2.gz DTLQDFKTRYYREO-LBPRGKRZSA-N -1 3 339.374 3.528 20 0 EHADHM C[C@@H](CCC(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC001460783508 948525825 /nfs/dbraw/zinc/52/58/25/948525825.db2.gz DTLQDFKTRYYREO-LBPRGKRZSA-N -1 3 339.374 3.528 20 0 EHADHM CC(C)c1occc1C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001574446608 949131381 /nfs/dbraw/zinc/13/13/81/949131381.db2.gz SVCVIFAIUKIFHM-UHFFFAOYSA-N -1 3 337.383 3.713 20 0 EHADHM CC(C)c1occc1C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001574446608 949131400 /nfs/dbraw/zinc/13/14/00/949131400.db2.gz SVCVIFAIUKIFHM-UHFFFAOYSA-N -1 3 337.383 3.713 20 0 EHADHM C[C@H]1CCCC[C@@H]1Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001576164578 949559159 /nfs/dbraw/zinc/55/91/59/949559159.db2.gz HNNIFIRGTLYNOF-CABZTGNLSA-N -1 3 341.337 3.756 20 0 EHADHM C[C@H]1CCCC[C@@H]1Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001576164578 949559180 /nfs/dbraw/zinc/55/91/80/949559180.db2.gz HNNIFIRGTLYNOF-CABZTGNLSA-N -1 3 341.337 3.756 20 0 EHADHM O=C([O-])c1ccccc1CNCc1ccc(F)c(Br)c1 ZINC000313006678 950777517 /nfs/dbraw/zinc/77/75/17/950777517.db2.gz NRZCNFNONYFQIW-UHFFFAOYSA-N -1 3 338.176 3.576 20 0 EHADHM O=S(=O)([N-][C@H]1C[C@@H]1c1ccccc1)c1c(Cl)cccc1Cl ZINC000620047722 1125463632 /nfs/dbraw/zinc/46/36/32/1125463632.db2.gz ILQYHZFUDNTLAE-RISCZKNCSA-N -1 3 342.247 3.828 20 0 EHADHM C[C@H](COCc1ccccc1)CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000719509182 955169713 /nfs/dbraw/zinc/16/97/13/955169713.db2.gz ZTFIKIXVZCPTAP-JXFKEZNVSA-N -1 3 339.435 3.523 20 0 EHADHM COCc1ccsc1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000182132928 1032067927 /nfs/dbraw/zinc/06/79/27/1032067927.db2.gz SSKHIMDNVUCWCA-UHFFFAOYSA-N -1 3 337.451 3.727 20 0 EHADHM Cc1csc(C2(NCCOc3ccccc3C(=O)[O-])CCCC2)n1 ZINC000183936294 959461238 /nfs/dbraw/zinc/46/12/38/959461238.db2.gz FEJLYLOREKNYHM-UHFFFAOYSA-N -1 3 346.452 3.588 20 0 EHADHM C[C@@H]1C[C@@H](C)CN(Cc2ccc(C(=O)[O-])cc2Br)C1 ZINC000226718338 959895221 /nfs/dbraw/zinc/89/52/21/959895221.db2.gz UVXPXLZGSPZLGO-GHMZBOCLSA-N -1 3 326.234 3.625 20 0 EHADHM C[C@@H]1CCCN(Cc2ccc(C(=O)[O-])cc2Br)[C@@H]1C ZINC000226728037 959898068 /nfs/dbraw/zinc/89/80/68/959898068.db2.gz PVCZPGHOJJUTRL-GHMZBOCLSA-N -1 3 326.234 3.768 20 0 EHADHM O=C([O-])c1ccc(CNC[C@@H]2CCCCS2)c(Br)c1 ZINC000236470053 960647842 /nfs/dbraw/zinc/64/78/42/960647842.db2.gz PSDIYPUWGLHMRJ-LBPRGKRZSA-N -1 3 344.274 3.523 20 0 EHADHM CC[C@H](C)N(CC(=O)[O-])Cc1c(C)nn(Cc2ccccc2)c1Cl ZINC000236964354 960812687 /nfs/dbraw/zinc/81/26/87/960812687.db2.gz CTCXJOQGIBQFPZ-ZDUSSCGKSA-N -1 3 349.862 3.578 20 0 EHADHM COc1ccc([C@@H](C)NCc2ccc(C(=O)[O-])cc2)c(C)c1OC ZINC000263413551 962580482 /nfs/dbraw/zinc/58/04/82/962580482.db2.gz MHYUWFYOZDJECS-CYBMUJFWSA-N -1 3 329.396 3.561 20 0 EHADHM COc1ccc(-c2nc(CNC[C@@H](CC(C)C)C(=O)[O-])cs2)cc1 ZINC000644182696 968557509 /nfs/dbraw/zinc/55/75/09/968557509.db2.gz VXJAECXQZSYXIO-CQSZACIVSA-N -1 3 348.468 3.655 20 0 EHADHM O=C([O-])[C@@H](NCc1cc(Cl)cc2cccnc21)c1cccs1 ZINC000426801684 974048544 /nfs/dbraw/zinc/04/85/44/974048544.db2.gz SBVKIFOVSFCTPW-HNNXBMFYSA-N -1 3 332.812 3.865 20 0 EHADHM Cc1oc(-c2ccsc2)nc1CN1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC000530177567 974363973 /nfs/dbraw/zinc/36/39/73/974363973.db2.gz WTVNGOTUVGPCLN-GNXNZQSNSA-N -1 3 334.441 3.785 20 0 EHADHM CCc1ccc(-c2nc(CN3CC[C@H](C(=O)[O-])[C@@H]3C)cs2)cc1 ZINC000566366412 974610849 /nfs/dbraw/zinc/61/08/49/974610849.db2.gz AYTSKGTWQHQKBZ-LRDDRELGSA-N -1 3 330.453 3.668 20 0 EHADHM O=C([O-])[C@@H]1CN(Cc2cccc(Cl)c2F)C[C@@H]1c1ccccc1 ZINC000568074549 974661859 /nfs/dbraw/zinc/66/18/59/974661859.db2.gz MARYOFMFXVDDOX-HUUCEWRRSA-N -1 3 333.790 3.779 20 0 EHADHM C[C@@H]1CCCCN(Cc2ccc(C(=O)[O-])cc2Br)C1 ZINC000582365804 974924995 /nfs/dbraw/zinc/92/49/95/974924995.db2.gz MJPNZEXYYLMQOH-LLVKDONJSA-N -1 3 326.234 3.769 20 0 EHADHM CC(C)O[C@H]1C[C@H](NCc2cccc(C(=O)[O-])c2Cl)C1(C)C ZINC001591696037 975528747 /nfs/dbraw/zinc/52/87/47/975528747.db2.gz NGLMYZHQJSXJKZ-KBPBESRZSA-N -1 3 325.836 3.720 20 0 EHADHM CC1(C)CN([C@H](C(=O)[O-])c2ccccc2F)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000652447064 975536191 /nfs/dbraw/zinc/53/61/91/975536191.db2.gz OJNLCEAZMDFKMR-BAGFXWCHSA-N -1 3 347.430 3.621 20 0 EHADHM Cc1ccc(OC(F)F)c(CN2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC000652496460 975560116 /nfs/dbraw/zinc/56/01/16/975560116.db2.gz WGXMTQCZZSFSHE-ZDUSSCGKSA-N -1 3 327.371 3.673 20 0 EHADHM COc1ccc(C(C)C)cc1CN1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000656191336 975645657 /nfs/dbraw/zinc/64/56/57/975645657.db2.gz RVINKBPGRRVLRC-MRXNPFEDSA-N -1 3 345.361 3.658 20 0 EHADHM C[C@H](CC(C)(C)CC(=O)[O-])N[C@@H](CO)c1cccc(Cl)c1Cl ZINC001592443839 978099722 /nfs/dbraw/zinc/09/97/22/978099722.db2.gz HAWNHOYBWCFGKP-MFKMUULPSA-N -1 3 348.270 3.896 20 0 EHADHM C[C@](CCF)(NCc1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC001592505752 978315114 /nfs/dbraw/zinc/31/51/14/978315114.db2.gz DXAMYTYQHOLHEI-OAHLLOKOSA-N -1 3 342.823 3.756 20 0 EHADHM Cc1csc(C(C)(C)NCc2cccc([O-])c2Br)n1 ZINC000459418394 1032093291 /nfs/dbraw/zinc/09/32/91/1032093291.db2.gz VMRKXJIQOYQXAO-UHFFFAOYSA-N -1 3 341.274 3.945 20 0 EHADHM CC(C)N(CCOc1ccccc1C(=O)[O-])Cc1ccccc1F ZINC000768775894 978738943 /nfs/dbraw/zinc/73/89/43/978738943.db2.gz AKFUPVJUTJBAEE-UHFFFAOYSA-N -1 3 331.387 3.813 20 0 EHADHM CCC(CC)N(CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc12)C1CC1 ZINC001595114492 979465184 /nfs/dbraw/zinc/46/51/84/979465184.db2.gz QPFQPPYCDFEKNP-UHFFFAOYSA-N -1 3 328.412 3.702 20 0 EHADHM CC(C)(CCN1CCSC[C@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC000859788314 979631388 /nfs/dbraw/zinc/63/13/88/979631388.db2.gz FINLEPDUDKGWNF-AWEZNQCLSA-N -1 3 327.877 3.931 20 0 EHADHM O=C([O-])[C@@]1(F)CCN(CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000859810634 979641138 /nfs/dbraw/zinc/64/11/38/979641138.db2.gz SSNBAKUCWQGMFR-LJQANCHMSA-N -1 3 349.352 3.595 20 0 EHADHM C[C@](Cc1ccc(F)cc1)(NCc1nsc2ccccc12)C(=O)[O-] ZINC001592853755 979647499 /nfs/dbraw/zinc/64/74/99/979647499.db2.gz JFGXBKBYRPJEOQ-GOSISDBHSA-N -1 3 344.411 3.611 20 0 EHADHM O=C([O-])c1ccc(Cl)c(CN2CCC[C@H](OC3CCC3)CC2)c1 ZINC000872162728 980054215 /nfs/dbraw/zinc/05/42/15/980054215.db2.gz NQURPKASKBDKFX-INIZCTEOSA-N -1 3 337.847 3.962 20 0 EHADHM CC(C)c1nccn1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000182813308 1032098797 /nfs/dbraw/zinc/09/87/97/1032098797.db2.gz QOBDGWRCBCXTKG-UHFFFAOYSA-N -1 3 340.408 3.613 20 0 EHADHM CC[C@H](N[C@H]1CCCn2nc(C(=O)[O-])cc21)c1cccc(Cl)c1 ZINC001595282480 980342814 /nfs/dbraw/zinc/34/28/14/980342814.db2.gz FOUNJELPTDPVAI-KBPBESRZSA-N -1 3 333.819 3.811 20 0 EHADHM O=C([O-])c1cccc2c1CN(CCc1ccc(F)cc1Cl)CC2 ZINC000901779901 980511095 /nfs/dbraw/zinc/51/10/95/980511095.db2.gz UZGILLMRKDPQBD-UHFFFAOYSA-N -1 3 333.790 3.778 20 0 EHADHM Cc1nn(C(C)(C)C)c(C)c1CN[C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC000901849746 980575353 /nfs/dbraw/zinc/57/53/53/980575353.db2.gz KAJAOKXMHZAFIE-SFHVURJKSA-N -1 3 343.471 3.787 20 0 EHADHM C[C@H](NC1CC(c2cc(F)cc(F)c2)C1)c1ncc(C(=O)[O-])s1 ZINC000901907546 980620344 /nfs/dbraw/zinc/62/03/44/980620344.db2.gz HRCHUHLKZSQNMW-LUHBLDKBSA-N -1 3 338.379 3.716 20 0 EHADHM CCc1oc(CNC[C@H]2SCCc3ccccc32)cc1C(=O)[O-] ZINC000902330778 980835718 /nfs/dbraw/zinc/83/57/18/980835718.db2.gz KQUFOTUCMDHPKK-QGZVFWFLSA-N -1 3 331.437 3.660 20 0 EHADHM CSc1ccc(CNCc2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000902328834 980835827 /nfs/dbraw/zinc/83/58/27/980835827.db2.gz GNTFSBBILBJVEG-ZDUSSCGKSA-N -1 3 331.437 3.550 20 0 EHADHM O=C([O-])c1cc(CNC[C@H](c2ccccc2)C(F)(F)F)cs1 ZINC000902343277 980841860 /nfs/dbraw/zinc/84/18/60/980841860.db2.gz MPEUBDAOTXXQEY-GFCCVEGCSA-N -1 3 329.343 3.882 20 0 EHADHM Cc1cc(CN[C@H](C[C@H]2CCOC2)c2ccccc2)oc1C(=O)[O-] ZINC000902352371 980845707 /nfs/dbraw/zinc/84/57/07/980845707.db2.gz WZUGPFRWQAGWAY-RHSMWYFYSA-N -1 3 329.396 3.544 20 0 EHADHM C[C@@H](COCC1CC1)NCc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000902354209 980847756 /nfs/dbraw/zinc/84/77/56/980847756.db2.gz FBUPQGFCDFZHGS-ZDUSSCGKSA-N -1 3 329.396 3.550 20 0 EHADHM CC[C@H]1CCCCCN1CC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001595446701 981094138 /nfs/dbraw/zinc/09/41/38/981094138.db2.gz AZBSEUGKLFVQFG-ZDUSSCGKSA-N -1 3 338.473 3.656 20 0 EHADHM CC[C@H]1CCN1Cc1ccc(OCc2ccc(C(=O)[O-])o2)c(OC)c1 ZINC001595468369 981162059 /nfs/dbraw/zinc/16/20/59/981162059.db2.gz ULTUXRBPFJGORK-AWEZNQCLSA-N -1 3 345.395 3.550 20 0 EHADHM Cc1cccc(C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)c1[O-] ZINC000108982453 1014805655 /nfs/dbraw/zinc/80/56/55/1014805655.db2.gz JAWJNFXYVOTYET-UHFFFAOYSA-N -1 3 348.406 3.548 20 0 EHADHM CCCN(Cc1ccccc1)Cc1ccccc1O[C@@H](C)C(=O)[O-] ZINC001595899810 982949724 /nfs/dbraw/zinc/94/97/24/982949724.db2.gz NBIKTGQPDKIUGL-INIZCTEOSA-N -1 3 327.424 3.951 20 0 EHADHM CCN(Cc1ccccc1C)Cc1ccccc1O[C@H](C)C(=O)[O-] ZINC001596371462 983870548 /nfs/dbraw/zinc/87/05/48/983870548.db2.gz GEADOCRZPSKPQO-MRXNPFEDSA-N -1 3 327.424 3.869 20 0 EHADHM COc1ccc([O-])c(-c2nc(-c3cccc(Br)c3)no2)c1 ZINC000109037195 1014986783 /nfs/dbraw/zinc/98/67/83/1014986783.db2.gz LTVQNXJRYRQYRA-UHFFFAOYSA-N -1 3 347.168 3.880 20 0 EHADHM C[C@H](NCc1ccsc1C(=O)[O-])c1ccc(-n2cccn2)c(F)c1 ZINC001599901721 984844747 /nfs/dbraw/zinc/84/47/47/984844747.db2.gz QWZIRUGNWWVWDF-NSHDSACASA-N -1 3 345.399 3.622 20 0 EHADHM [O-]c1ccc(F)c(CNCc2ccc(F)cc2Br)c1F ZINC000510120709 1015289216 /nfs/dbraw/zinc/28/92/16/1015289216.db2.gz NPABSAWWUOAUMB-UHFFFAOYSA-N -1 3 346.146 3.862 20 0 EHADHM CC(C)(C)[C@H](NCc1csc(CCc2ccccc2)n1)C(=O)[O-] ZINC001589720435 987882562 /nfs/dbraw/zinc/88/25/62/987882562.db2.gz OIJSCHHIWQDSCR-MRXNPFEDSA-N -1 3 332.469 3.517 20 0 EHADHM CCc1ccc([C@H]2C[C@H](C)CCN2Cc2cc(C(=O)[O-])n(C)c2)o1 ZINC001597518632 988138334 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C[C@H](N[C@H](CN1CCCCC1)c1ccccc1)c1cc(C(=O)[O-])co1 ZINC001593209646 994239966 /nfs/dbraw/zinc/23/99/66/994239966.db2.gz NLDDEXKLHOTIGG-MAUKXSAKSA-N -1 3 342.439 3.856 20 0 EHADHM COc1ccc2oc([C@@H](C)NCc3ccc(C(=O)[O-])n3C)c(C)c2c1 ZINC001599637690 994313115 /nfs/dbraw/zinc/31/31/15/994313115.db2.gz JNHSKTNEYFCWAJ-GFCCVEGCSA-N -1 3 342.395 3.637 20 0 EHADHM C[C@H](N[C@@H]1CCC[C@H]1C(=O)[O-])c1ncc(-c2ccc(Cl)cc2)o1 ZINC001593221795 994325544 /nfs/dbraw/zinc/32/55/44/994325544.db2.gz ASKUOOXBMLONMS-ZLKJLUDKSA-N -1 3 334.803 3.899 20 0 EHADHM C[C@@H](NC[C@]1(c2ccccc2)CC1(C)C)c1ncc(C(=O)[O-])s1 ZINC001593252626 994508735 /nfs/dbraw/zinc/50/87/35/994508735.db2.gz USSGGIFLDPQNQE-XIKOKIGWSA-N -1 3 330.453 3.860 20 0 EHADHM COc1cccc([C@@](C)(CC(=O)[O-])NCc2ccc(Cl)cc2)c1 ZINC001599654869 994562432 /nfs/dbraw/zinc/56/24/32/994562432.db2.gz AQIIJMLBHBDARO-GOSISDBHSA-N -1 3 333.815 3.828 20 0 EHADHM C[C@H](NCCOc1cccc2ccccc21)c1cc(C(=O)[O-])co1 ZINC001593273429 994619937 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COc1cc(-c2nc(-c3cc(F)ccc3C)no2)cc(OC)c1[O-] ZINC000436691639 1026046502 /nfs/dbraw/zinc/04/65/02/1026046502.db2.gz VDLHCXUUHRKHSZ-UHFFFAOYSA-N -1 3 330.315 3.574 20 0 EHADHM COc1cc(-c2nc(-c3nccc4ccccc43)no2)cc(OC)c1[O-] ZINC000436690848 1026048257 /nfs/dbraw/zinc/04/82/57/1026048257.db2.gz RDQFHYLIAJPKJV-UHFFFAOYSA-N -1 3 349.346 3.675 20 0 EHADHM CC(C)c1ccc(C(=O)NCCCc2nc3ccccc3[nH]2)c([O-])c1 ZINC000436693077 1026049664 /nfs/dbraw/zinc/04/96/64/1026049664.db2.gz PZAGAMMTAUOBSV-UHFFFAOYSA-N -1 3 337.423 3.755 20 0 EHADHM CCCCOc1ccc(C(=O)N[C@@H](C)c2ccncc2F)c([O-])c1 ZINC000436693005 1026049964 /nfs/dbraw/zinc/04/99/64/1026049964.db2.gz ZSKKLGBMTBIIII-LBPRGKRZSA-N -1 3 332.375 3.596 20 0 EHADHM Cc1ccc(C(=O)N(C)Cc2cccc(Br)c2)c([O-])c1 ZINC000042355207 1026071156 /nfs/dbraw/zinc/07/11/56/1026071156.db2.gz VNCGWRXRFFZPFW-UHFFFAOYSA-N -1 3 334.213 3.735 20 0 EHADHM Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2ccccc2[O-])cc1 ZINC000436717560 1026088695 /nfs/dbraw/zinc/08/86/95/1026088695.db2.gz HPWLLPYWARQXMH-LPHOPBHVSA-N -1 3 325.408 3.598 20 0 EHADHM C[C@H]1C[C@H](CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])CCO1 ZINC000436724954 1026098856 /nfs/dbraw/zinc/09/88/56/1026098856.db2.gz SZTNEFCFIDCFIA-LSDHHAIUSA-N -1 3 341.407 3.729 20 0 EHADHM Cc1nc(-c2ncccn2)sc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000436737613 1026103922 /nfs/dbraw/zinc/10/39/22/1026103922.db2.gz JWYUUZRGLWXTPJ-UHFFFAOYSA-N -1 3 346.799 3.520 20 0 EHADHM Cc1ccc(C(=O)Nc2nccn2Cc2ccccc2Cl)c([O-])c1 ZINC000436742470 1026112218 /nfs/dbraw/zinc/11/22/18/1026112218.db2.gz FGEYLHMSZUMOQI-UHFFFAOYSA-N -1 3 341.798 3.851 20 0 EHADHM CCc1ccc([C@@H]2CCCN(C(=O)c3c([O-])cccc3O)C2)cc1 ZINC000436728781 1026116326 /nfs/dbraw/zinc/11/63/26/1026116326.db2.gz NJNHFYFMQLDBDF-MRXNPFEDSA-N -1 3 325.408 3.680 20 0 EHADHM COc1cccc(C(=O)Nc2ccc(C(=O)C3CCC3)cc2)c1[O-] ZINC000436729411 1026118992 /nfs/dbraw/zinc/11/89/92/1026118992.db2.gz AJFPKHYPQYSXPV-UHFFFAOYSA-N -1 3 325.364 3.636 20 0 EHADHM CC(=O)c1ccc(C(=O)N[C@@H](C)C2CCC(F)(F)CC2)cc1[O-] ZINC000655410910 1026166912 /nfs/dbraw/zinc/16/69/12/1026166912.db2.gz DWVWIYVRHIMYEQ-JTQLQIEISA-N -1 3 325.355 3.539 20 0 EHADHM [O-]c1cc(Br)cc(F)c1O[C@@H]1CC(F)(F)C1(F)F ZINC001227591464 1026320578 /nfs/dbraw/zinc/32/05/78/1026320578.db2.gz VDJFSDQYYQBXAS-SSDOTTSWSA-N -1 3 333.050 3.716 20 0 EHADHM Cc1ccccc1[C@@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)C(C)(C)C ZINC000431424249 1026397263 /nfs/dbraw/zinc/39/72/63/1026397263.db2.gz ZGQZTLKYFCOKHE-GOSISDBHSA-N -1 3 341.455 3.554 20 0 EHADHM O=C(Nc1cc(Br)ccc1[O-])c1ccnc2ccccc21 ZINC000531015341 1026485671 /nfs/dbraw/zinc/48/56/71/1026485671.db2.gz SWLURBYJQAJAEZ-UHFFFAOYSA-N -1 3 343.180 3.955 20 0 EHADHM CCCOc1ccc(CNCc2ncccc2[O-])c(OCCC)c1 ZINC000475347674 1026503973 /nfs/dbraw/zinc/50/39/73/1026503973.db2.gz ALODPTBUZOBTQE-UHFFFAOYSA-N -1 3 330.428 3.655 20 0 EHADHM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)Cc1ccc([O-])c(F)c1 ZINC000452144887 1026513417 /nfs/dbraw/zinc/51/34/17/1026513417.db2.gz SOTHSGDJHPLPOD-JKIFEVAISA-N -1 3 327.399 3.867 20 0 EHADHM Cc1nc(-c2ccc(NC(=O)N3C[C@@H](C)CC3(C)C)cc2)cc(=O)[n-]1 ZINC000531102733 1026570430 /nfs/dbraw/zinc/57/04/30/1026570430.db2.gz KATJSDVQSHOMIS-LBPRGKRZSA-N -1 3 340.427 3.810 20 0 EHADHM C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)Cc1ccc([O-])c(F)c1 ZINC000452233638 1026591946 /nfs/dbraw/zinc/59/19/46/1026591946.db2.gz USKMHAKMWDCISK-UMNHJUIQSA-N -1 3 333.325 3.652 20 0 EHADHM CCC[C@H]1CCCN(c2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)C1 ZINC000301627710 1026881832 /nfs/dbraw/zinc/88/18/32/1026881832.db2.gz RDWAFFYTACXPDA-AWEZNQCLSA-N -1 3 326.444 3.823 20 0 EHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@]3(C)CCCS3)nc2)n1 ZINC000301632997 1026882832 /nfs/dbraw/zinc/88/28/32/1026882832.db2.gz JYNYSIZHLFQUES-KRWDZBQOSA-N -1 3 330.457 3.504 20 0 EHADHM CCc1cccc(C(=O)N2CC=C(c3cccc(OC)c3)CC2)c1[O-] ZINC000531468880 1026957854 /nfs/dbraw/zinc/95/78/54/1026957854.db2.gz LFAZBULHXLSZPO-UHFFFAOYSA-N -1 3 337.419 3.893 20 0 EHADHM CC(C)CCSCC(=O)Nc1cc(Br)ccc1[O-] ZINC000531492532 1026970106 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C[C@H](NC(=O)N=c1cc2ccccn2[n-]1)c1ccc(Cl)cc1Cl ZINC000548763105 1027542324 /nfs/dbraw/zinc/54/23/24/1027542324.db2.gz BKKIRHGKKOPWIB-JTQLQIEISA-N -1 3 349.221 3.946 20 0 EHADHM CCOc1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2C)c1 ZINC000501827755 1027559220 /nfs/dbraw/zinc/55/92/20/1027559220.db2.gz QFWJJDCKXKMING-UHFFFAOYSA-N -1 3 335.425 3.593 20 0 EHADHM Cc1nc(C)c(CCC(=O)N(c2ccccc2)[C@H](C)C2CC2)c(=O)[n-]1 ZINC000637737466 1027837011 /nfs/dbraw/zinc/83/70/11/1027837011.db2.gz HXMDUNOUJPYJCH-CQSZACIVSA-N -1 3 339.439 3.563 20 0 EHADHM [O-]c1ccc(CNc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)cc1F ZINC000892309374 1027884074 /nfs/dbraw/zinc/88/40/74/1027884074.db2.gz ARCJWDVDRZCPJW-RTBURBONSA-N -1 3 331.387 3.826 20 0 EHADHM CCOC(=O)c1ccc(NC(=O)c2sc(C(C)C)nc2C)c([O-])c1 ZINC000536618911 1027938255 /nfs/dbraw/zinc/93/82/55/1027938255.db2.gz MUNCSIFQHCFYMG-UHFFFAOYSA-N -1 3 348.424 3.710 20 0 EHADHM CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2sccc2C)c([O-])c1 ZINC000536621648 1027974313 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O=C(Nc1cccc([O-])c1F)c1c(F)ccc(Br)c1F ZINC000579069681 1028429501 /nfs/dbraw/zinc/42/95/01/1028429501.db2.gz ANFVQKLTBDTKRF-UHFFFAOYSA-N -1 3 346.102 3.824 20 0 EHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2cccc(C)c2)c1 ZINC000121928080 1028510864 /nfs/dbraw/zinc/51/08/64/1028510864.db2.gz RQGRLONDYRDJAI-SFHVURJKSA-N -1 3 338.407 3.636 20 0 EHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCCC23CCCC3)c1 ZINC000428571256 1028612010 /nfs/dbraw/zinc/61/20/10/1028612010.db2.gz FGBIENGFVONNHV-QGZVFWFLSA-N -1 3 330.428 3.583 20 0 EHADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H](c1ccco1)c1ccccc1 ZINC000195314446 1028625657 /nfs/dbraw/zinc/62/56/57/1028625657.db2.gz FAGVKFRFTBVCSX-MRXNPFEDSA-N -1 3 342.345 3.981 20 0 EHADHM C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)o1 ZINC000502752496 1028636260 /nfs/dbraw/zinc/63/62/60/1028636260.db2.gz RALXZBGABYDKCC-OEAJRASXSA-N -1 3 347.418 3.957 20 0 EHADHM Cc1ccc2c(c1)C(=O)N(C)[C@@H](c1ccc([O-])c(Br)c1)N2 ZINC000153721678 1028657919 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O=S(=O)([N-]CC1(Sc2ccccc2)CCCC1)c1ccco1 ZINC000445748385 1029094337 /nfs/dbraw/zinc/09/43/37/1029094337.db2.gz LCMQDJWAAPWYRY-UHFFFAOYSA-N -1 3 337.466 3.663 20 0 EHADHM CC[C@@H](C)Oc1cccc(NC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000503173699 1029108838 /nfs/dbraw/zinc/10/88/38/1029108838.db2.gz SNMNLYPFUDXULO-SNVBAGLBSA-N -1 3 328.347 3.527 20 0 EHADHM Fc1ccccc1-c1ccc(C[N-]c2nnc([C@H]3CCCO3)o2)o1 ZINC000272213583 1029362683 /nfs/dbraw/zinc/36/26/83/1029362683.db2.gz JKSNHIXZJZKJIL-OAHLLOKOSA-N -1 3 329.331 3.932 20 0 EHADHM CCSc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c1 ZINC000505275729 1029432401 /nfs/dbraw/zinc/43/24/01/1029432401.db2.gz WPHSZMZWAZQPIP-LBPRGKRZSA-N -1 3 349.477 3.923 20 0 EHADHM CC(C)(C)OC(=O)C(C)(C)CCNC(=O)c1cc([O-])ccc1Cl ZINC000424950419 1029439703 /nfs/dbraw/zinc/43/97/03/1029439703.db2.gz MXZUJECICZDROO-UHFFFAOYSA-N -1 3 341.835 3.533 20 0 EHADHM Cc1ccc(-c2nc(NC(=O)[C@H](C)Cc3cccc(Cl)c3)n[n-]2)o1 ZINC000535986354 1029558415 /nfs/dbraw/zinc/55/84/15/1029558415.db2.gz JZOPMVUBTFQJKG-SNVBAGLBSA-N -1 3 344.802 3.844 20 0 EHADHM CCc1cccc(C(=O)N2C[C@@H](c3ccsc3)O[C@@H](C)C2)c1[O-] ZINC000150871076 1029558890 /nfs/dbraw/zinc/55/88/90/1029558890.db2.gz CKJYWZYSJPURQW-LRDDRELGSA-N -1 3 331.437 3.618 20 0 EHADHM C[C@H](c1ccc(F)c(F)c1)N(C)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000192469738 1029682637 /nfs/dbraw/zinc/68/26/37/1029682637.db2.gz RVYPGPIZRNSZMB-LLVKDONJSA-N -1 3 345.345 3.970 20 0 EHADHM Cc1cccc(C(=O)Nc2cccc(CC(=O)OC(C)(C)C)c2)c1[O-] ZINC000525263192 1029772846 /nfs/dbraw/zinc/77/28/46/1029772846.db2.gz MFEGMQRDDHKJHX-UHFFFAOYSA-N -1 3 341.407 3.837 20 0 EHADHM CCCc1cc(=O)[n-]c(C(=Cc2cccc(C(=O)OCC)n2)CC)n1 ZINC000600510687 1029912368 /nfs/dbraw/zinc/91/23/68/1029912368.db2.gz KBJKOLVEGOQZIE-QBFSEMIESA-N -1 3 341.411 3.657 20 0 EHADHM CC1(C)C[C@H](SCc2nc3c4ccccc4oc3c(=O)[n-]2)CO1 ZINC000600575443 1029994337 /nfs/dbraw/zinc/99/43/37/1029994337.db2.gz NGTOKTIQZAZMES-JTQLQIEISA-N -1 3 330.409 3.882 20 0 EHADHM 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Cc1ccc(C)c(CC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151620772 1031746669 /nfs/dbraw/zinc/74/66/69/1031746669.db2.gz PDHLGSNWMWBTHR-UHFFFAOYSA-N -1 3 348.240 3.630 20 0 EHADHM Cc1cc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c(C)s1 ZINC000180285905 1031873832 /nfs/dbraw/zinc/87/38/32/1031873832.db2.gz ZUMUTAPOLZUAMN-UHFFFAOYSA-N -1 3 337.253 3.868 20 0 EHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1nnc(CC2CCCCC2)s1 ZINC000448912303 1031876886 /nfs/dbraw/zinc/87/68/86/1031876886.db2.gz QUFOUSHMIKLDHR-UHFFFAOYSA-N -1 3 349.431 3.687 20 0 EHADHM Cc1cc2cc(C(=O)[N-]c3nncs3)oc2c(Br)c1 ZINC000180865151 1031916736 /nfs/dbraw/zinc/91/67/36/1031916736.db2.gz ZHUWIQQNILGIQV-UHFFFAOYSA-N -1 3 338.186 3.608 20 0 EHADHM CC(C)(C)c1noc(-c2ccc(C(=O)OCc3ccccc3)[n-]2)n1 ZINC000904352649 1031972054 /nfs/dbraw/zinc/97/20/54/1031972054.db2.gz WMDAMRSIUZBGRT-UHFFFAOYSA-N -1 3 325.368 3.719 20 0 EHADHM CCCn1c2ccccc2nc1CN1CCC[C@@](CC)(C(=O)[O-])C1 ZINC000904401263 1032016132 /nfs/dbraw/zinc/01/61/32/1032016132.db2.gz 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EHADHM CC(C)Oc1ccccc1COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000061142306 1033738465 /nfs/dbraw/zinc/73/84/65/1033738465.db2.gz FUGCICBIHMAFAD-UHFFFAOYSA-N -1 3 326.352 3.814 20 0 EHADHM CC(C)Oc1ccccc1COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000061142306 1033738476 /nfs/dbraw/zinc/73/84/76/1033738476.db2.gz FUGCICBIHMAFAD-UHFFFAOYSA-N -1 3 326.352 3.814 20 0 EHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H](CC1CC1)c1ccccc1 ZINC000608694112 1033836775 /nfs/dbraw/zinc/83/67/75/1033836775.db2.gz JFYICMDYWLODGS-KRWDZBQOSA-N -1 3 328.387 3.872 20 0 EHADHM COc1ccc(S(=O)(=O)[N-]c2cccc([C@@H](C)OC)c2)c(C)c1C ZINC000117229383 1033943252 /nfs/dbraw/zinc/94/32/52/1033943252.db2.gz PESWWKOWFGTRTJ-CQSZACIVSA-N -1 3 349.452 3.820 20 0 EHADHM COc1ccc(C(=O)N2CCS[C@@H](C)[C@@H]2c2ccccc2)c([O-])c1 ZINC000118297904 1034018177 /nfs/dbraw/zinc/01/81/77/1034018177.db2.gz LKVFRDOAKUPFRM-SCLBCKFNSA-N -1 3 343.448 3.720 20 0 EHADHM COc1cc(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)ccc1Cl ZINC000534023699 1034029788 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1137278785 /nfs/dbraw/zinc/27/87/85/1137278785.db2.gz DJCLKRLOOBDJGH-MRVPVSSYSA-N -1 3 338.791 3.831 20 0 EHADHM COC(=O)[C@@H]1CC=C[C@H](OC(=O)c2cc3cc(Cl)sc3[n-]2)C1 ZINC000845808558 1137310399 /nfs/dbraw/zinc/31/03/99/1137310399.db2.gz TWPLLPNTIRKVMW-SCZZXKLOSA-N -1 3 339.800 3.547 20 0 EHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cc(-c2cccc(F)c2)ccn1 ZINC001144616297 1137318744 /nfs/dbraw/zinc/31/87/44/1137318744.db2.gz HMCABVQSAKHJCI-UHFFFAOYSA-N -1 3 340.329 3.914 20 0 EHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(C2CCOCC2)cc1 ZINC001144631347 1137320869 /nfs/dbraw/zinc/32/08/69/1137320869.db2.gz OHKQUPRLRXCNAR-UHFFFAOYSA-N -1 3 329.371 3.607 20 0 EHADHM COC(=O)C[C@H](C)N(Cc1ccccc1)Cc1cc(F)c([O-])cc1F ZINC001144659591 1137327302 /nfs/dbraw/zinc/32/73/02/1137327302.db2.gz MKCBPYAWXLKWJZ-ZDUSSCGKSA-N -1 3 349.377 3.624 20 0 EHADHM O=C(NC1(c2ccccc2Br)CCC1)c1ccccc1[O-] ZINC001144715160 1137334562 /nfs/dbraw/zinc/33/45/62/1137334562.db2.gz CJGMWPYFNUAWOG-UHFFFAOYSA-N -1 3 346.224 3.964 20 0 EHADHM [O-]c1cccc(CN2CCC[C@@]3(CC3(F)F)C2)c1Br ZINC000846104456 1137335781 /nfs/dbraw/zinc/33/57/81/1137335781.db2.gz HRXMPNSWZQIBNT-CYBMUJFWSA-N -1 3 332.188 3.776 20 0 EHADHM O=C1[N-]C(=O)C(=CNc2cccc(Cl)c2Cl)c2ccccc21 ZINC000016719393 1137384588 /nfs/dbraw/zinc/38/45/88/1137384588.db2.gz SUZVVIHAVFMWDO-DHZHZOJOSA-N -1 3 333.174 3.716 20 0 EHADHM CCC[C@H](NC(=O)N[N-]C(=O)c1ccccc1Cl)c1ccccc1 ZINC000043712983 1137396309 /nfs/dbraw/zinc/39/63/09/1137396309.db2.gz DGCQFGPCJIVBTQ-INIZCTEOSA-N -1 3 345.830 3.825 20 0 EHADHM CC[C@@H]1CCCCCN1C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001147324579 1137404567 /nfs/dbraw/zinc/40/45/67/1137404567.db2.gz ATTBADCWDLYZIT-GFCCVEGCSA-N -1 3 332.831 3.976 20 0 EHADHM COc1cccc(CNC(=O)c2cc3sccc3c([O-])c2)c1C ZINC001148440153 1137424224 /nfs/dbraw/zinc/42/42/24/1137424224.db2.gz OEOLKHUSEBSSLM-UHFFFAOYSA-N -1 3 327.405 3.854 20 0 EHADHM Cc1ccc(C(=O)N2CCc3c(cccc3C(F)(F)F)C2)c([O-])c1 ZINC001148503647 1137426986 /nfs/dbraw/zinc/42/69/86/1137426986.db2.gz BBXOJRXIWRZDAH-UHFFFAOYSA-N -1 3 335.325 3.918 20 0 EHADHM COC(=O)Cc1ccc(Nc2cccc([O-])c2Br)cc1 ZINC001212622634 1137499121 /nfs/dbraw/zinc/49/91/21/1137499121.db2.gz QURAPCLKWOLIRI-UHFFFAOYSA-N -1 3 336.185 3.614 20 0 EHADHM O=C(CCC(=O)c1ccc2c(c1)CCC2)[N-]OCCCC(F)(F)F ZINC000871210456 1137527075 /nfs/dbraw/zinc/52/70/75/1137527075.db2.gz KOAPEUWZWQQJQW-UHFFFAOYSA-N -1 3 343.345 3.529 20 0 EHADHM O=C(Cc1c[nH]c2ccc(Cl)cc12)[N-]OCCCC(F)(F)F ZINC000871213747 1137527521 /nfs/dbraw/zinc/52/75/21/1137527521.db2.gz WPHMJNSFMUCWLE-UHFFFAOYSA-N -1 3 334.725 3.754 20 0 EHADHM O=C([N-]OCCCC(F)(F)F)C1(Cc2cccc(F)c2)CCC1 ZINC000871215234 1137527780 /nfs/dbraw/zinc/52/77/80/1137527780.db2.gz UQKXPAFENIMDBD-UHFFFAOYSA-N -1 3 333.325 3.929 20 0 EHADHM O=C(CCCc1c(F)cccc1F)[N-]OCCCC(F)(F)F ZINC000871217379 1137528025 /nfs/dbraw/zinc/52/80/25/1137528025.db2.gz VQWYGSGIXSODLR-UHFFFAOYSA-N -1 3 325.277 3.678 20 0 EHADHM O=C([N-]OCCCC(F)(F)F)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC000871217457 1137528210 /nfs/dbraw/zinc/52/82/10/1137528210.db2.gz YMXMBDPMUQLTMP-TVUZUIDESA-N -1 3 347.299 3.991 20 0 EHADHM CCOc1cccc(F)c1CNC[C@H](Cc1cccc(C)c1)C(=O)[O-] ZINC000871877952 1137562007 /nfs/dbraw/zinc/56/20/07/1137562007.db2.gz ZYVZWVSAUBMYTE-INIZCTEOSA-N -1 3 345.414 3.566 20 0 EHADHM C[C@H](NCc1ccnc(N2CCCCC2)c1)c1cccc([O-])c1F ZINC000872025373 1137565768 /nfs/dbraw/zinc/56/57/68/1137565768.db2.gz LTMJTRUFBDZBMR-AWEZNQCLSA-N -1 3 329.419 3.767 20 0 EHADHM COCCCOc1ccc(CN[C@H](C)c2cccc([O-])c2F)cc1 ZINC000872070226 1137569618 /nfs/dbraw/zinc/56/96/18/1137569618.db2.gz SMWFIQYTLVJRLP-CQSZACIVSA-N -1 3 333.403 3.797 20 0 EHADHM CCOc1cc(CNCc2ccc([O-])c(Cl)c2)c(F)cc1OC ZINC000873179739 1137592842 /nfs/dbraw/zinc/59/28/42/1137592842.db2.gz PMRHGBYXQNFBTK-UHFFFAOYSA-N -1 3 339.794 3.882 20 0 EHADHM CC[C@H](C)Oc1cc(CNCc2ccccc2C(=O)[O-])ccc1OC ZINC000874042742 1137609765 /nfs/dbraw/zinc/60/97/65/1137609765.db2.gz DXZDKOXFTRFBKV-AWEZNQCLSA-N -1 3 343.423 3.861 20 0 EHADHM Cc1csc([C@@H]2CCN(C(=O)CCCc3ccc([O-])c(F)c3)C2)n1 ZINC000874496373 1137616159 /nfs/dbraw/zinc/61/61/59/1137616159.db2.gz CKIXQGNTTXUOHP-CQSZACIVSA-N -1 3 348.443 3.635 20 0 EHADHM CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000874834434 1137624363 /nfs/dbraw/zinc/62/43/63/1137624363.db2.gz RXUVWIAQPCOJKV-IRXDYDNUSA-N -1 3 344.842 3.508 20 0 EHADHM CC1(C)[C@H](c2ccc(F)cc2)CCN1C(=O)c1ccc(N)cc1[O-] ZINC000877042052 1137668526 /nfs/dbraw/zinc/66/85/26/1137668526.db2.gz LKGAVTSYEXQPNJ-INIZCTEOSA-N -1 3 328.387 3.522 20 0 EHADHM CCOc1cc([C@@H]2NC(=O)c3ccc(C)cc3N2)cc(Cl)c1[O-] ZINC000877863655 1137693991 /nfs/dbraw/zinc/69/39/91/1137693991.db2.gz JVWUANMCGYMWLS-INIZCTEOSA-N -1 3 332.787 3.607 20 0 EHADHM Cc1nc(C)c([C@@H](C)N(C)Cc2nnc(-c3ccccc3[O-])o2)s1 ZINC000878084473 1137701563 /nfs/dbraw/zinc/70/15/63/1137701563.db2.gz UIWXXQSHJCBATE-LLVKDONJSA-N -1 3 344.440 3.709 20 0 EHADHM Cc1nc(C)c([C@H](C)N(C)Cc2nnc(-c3ccccc3[O-])o2)s1 ZINC000878084474 1137701600 /nfs/dbraw/zinc/70/16/00/1137701600.db2.gz UIWXXQSHJCBATE-NSHDSACASA-N -1 3 344.440 3.709 20 0 EHADHM [O-]c1ccccc1-c1nnc(CN(CCC(F)(F)F)CC2CC2)o1 ZINC000878179084 1137706070 /nfs/dbraw/zinc/70/60/70/1137706070.db2.gz TZBALILIOOVKSC-UHFFFAOYSA-N -1 3 341.333 3.607 20 0 EHADHM CCc1cc(=O)[n-]c(CNC(C)(C)c2ccc(C(F)(F)F)cc2)n1 ZINC000880383472 1137777330 /nfs/dbraw/zinc/77/73/30/1137777330.db2.gz DUPHDDOZDDGAKH-UHFFFAOYSA-N -1 3 339.361 3.788 20 0 EHADHM CN(Cc1cc(=O)[n-]c(C2CC2)n1)[C@@H](CCc1ccccc1)C(F)F ZINC000626136863 1137796220 /nfs/dbraw/zinc/79/62/20/1137796220.db2.gz LEQBTGSPBPDXQR-INIZCTEOSA-N -1 3 347.409 3.758 20 0 EHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000881164589 1137802182 /nfs/dbraw/zinc/80/21/82/1137802182.db2.gz ZHISKEJYHUDENP-NEPJUHHUSA-N -1 3 336.285 3.839 20 0 EHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000881164589 1137802183 /nfs/dbraw/zinc/80/21/83/1137802183.db2.gz ZHISKEJYHUDENP-NEPJUHHUSA-N -1 3 336.285 3.839 20 0 EHADHM Cc1cc(C(=O)Nc2cc(Br)ccc2[O-])cc(Cl)n1 ZINC000133125482 1137878849 /nfs/dbraw/zinc/87/88/49/1137878849.db2.gz AUVNALIEWSYIAD-UHFFFAOYSA-N -1 3 341.592 3.764 20 0 EHADHM O=C(Nc1cnn(C2CCC2)c1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000889054247 1137880414 /nfs/dbraw/zinc/88/04/14/1137880414.db2.gz MVVMEBHNNXAZLT-UHFFFAOYSA-N -1 3 325.290 3.585 20 0 EHADHM Cc1cc([O-])c(NC(=O)NC2CCCCC2)cc1Br ZINC001202614821 1137885281 /nfs/dbraw/zinc/88/52/81/1137885281.db2.gz AGXOOSNXBWCMSY-UHFFFAOYSA-N -1 3 327.222 3.917 20 0 EHADHM Cc1cccc(C)c1NC(=O)CCC[S@](=O)c1ccc([O-])cc1 ZINC000108086706 1137888723 /nfs/dbraw/zinc/88/87/23/1137888723.db2.gz CNPUYARKVVLZQI-HSZRJFAPSA-N -1 3 331.437 3.536 20 0 EHADHM COc1ccc(C(=O)N2CCC[C@]2(C)Cc2cccs2)c([O-])c1 ZINC000885258018 1137993533 /nfs/dbraw/zinc/99/35/33/1137993533.db2.gz ALQSQQGRKFZUEO-GOSISDBHSA-N -1 3 331.437 3.700 20 0 EHADHM O=c1[n-]c(C2CCN(Cc3sc4ccccc4c3Cl)CC2)n[nH]1 ZINC000333484690 1138295535 /nfs/dbraw/zinc/29/55/35/1138295535.db2.gz TXDMGDXNDFKWMO-UHFFFAOYSA-N -1 3 348.859 3.758 20 0 EHADHM CC(C)(C)c1nnc([N-]C(=O)c2csc(-c3ccoc3)n2)s1 ZINC000336892232 1138422370 /nfs/dbraw/zinc/42/23/70/1138422370.db2.gz JMZIKSUSZXXXGV-UHFFFAOYSA-N -1 3 334.426 3.804 20 0 EHADHM Cc1noc(C)c1[N-]C(=O)c1csc(CCc2ccccc2)n1 ZINC000336969574 1138437908 /nfs/dbraw/zinc/43/79/08/1138437908.db2.gz BOXHKYYCWJOITM-UHFFFAOYSA-N -1 3 327.409 3.785 20 0 EHADHM C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)Nc2n[n-]c(-c3ccco3)n2)o1 ZINC000337397219 1138555908 /nfs/dbraw/zinc/55/59/08/1138555908.db2.gz NRJLKMPULISVTB-NOOOWODRSA-N -1 3 338.367 3.523 20 0 EHADHM Cc1nc(-c2ccc(NC(=O)NCC3CCCCC3)cc2)cc(=O)[n-]1 ZINC000337429643 1138566864 /nfs/dbraw/zinc/56/68/64/1138566864.db2.gz DMBFHVJQNLDOOQ-UHFFFAOYSA-N -1 3 340.427 3.859 20 0 EHADHM Cc1c2ccccc2oc1[C@H](C)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000337465112 1138577471 /nfs/dbraw/zinc/57/74/71/1138577471.db2.gz SSQWCOMEFYFFLG-JTQLQIEISA-N -1 3 338.342 3.643 20 0 EHADHM O=C(N[C@@H]1C[C@H]1c1cccc2ccccc21)c1cc(F)cc2n[n-]nc21 ZINC000337572955 1138609628 /nfs/dbraw/zinc/60/96/28/1138609628.db2.gz UFFUGUVCRZLUHG-DOTOQJQBSA-N -1 3 346.365 3.536 20 0 EHADHM Cc1nc(-c2ccc(NC(=O)NCCC(C)(C)C)cc2)cc(=O)[n-]1 ZINC000337602531 1138618351 /nfs/dbraw/zinc/61/83/51/1138618351.db2.gz SSDVVDLLZCMDKF-UHFFFAOYSA-N -1 3 328.416 3.715 20 0 EHADHM CC(C)[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(F)cc1 ZINC000337626273 1138625605 /nfs/dbraw/zinc/62/56/05/1138625605.db2.gz VFCYWGNPJUEKCC-LJQANCHMSA-N -1 3 338.382 3.794 20 0 EHADHM CCOc1ncc(Nc2cccc([O-])c2Br)cc1F ZINC001212833978 1138639437 /nfs/dbraw/zinc/63/94/37/1138639437.db2.gz FCVDTXUOPRHVTC-UHFFFAOYSA-N -1 3 327.153 3.831 20 0 EHADHM COc1ccc(C(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c([O-])c1 ZINC000135266270 1138738915 /nfs/dbraw/zinc/73/89/15/1138738915.db2.gz UIIAPIBPUJDYEK-GXTWGEPZSA-N -1 3 329.371 3.558 20 0 EHADHM COc1cc(F)c([N-]C(=O)c2cc(COC(C)(C)C)on2)cc1F ZINC000186390050 1140201573 /nfs/dbraw/zinc/20/15/73/1140201573.db2.gz FWPNOZHAPUTNQP-UHFFFAOYSA-N -1 3 340.326 3.529 20 0 EHADHM CCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@@H](C)Cc1ccsc1 ZINC000187371884 1140252629 /nfs/dbraw/zinc/25/26/29/1140252629.db2.gz NMAJUJZDPIIEOE-LBPRGKRZSA-N -1 3 349.452 3.564 20 0 EHADHM CCc1ccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)c([O-])c1 ZINC000188867650 1140311464 /nfs/dbraw/zinc/31/14/64/1140311464.db2.gz WFPGAHKXOWFNFM-UHFFFAOYSA-N -1 3 337.419 3.690 20 0 EHADHM CCS[C@H]1CCC[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000267296012 1140776510 /nfs/dbraw/zinc/77/65/10/1140776510.db2.gz WSJIMANTNKTMPZ-OLZOCXBDSA-N -1 3 330.453 3.735 20 0 EHADHM C[C@@H]1CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C[C@H]1C ZINC000267820979 1140839512 /nfs/dbraw/zinc/83/95/12/1140839512.db2.gz OUXXZDFEBJATRG-GHMZBOCLSA-N -1 3 329.425 3.745 20 0 EHADHM Cc1cnc(C(C)(C)[N-]C(=O)C(F)(F)c2ccccc2F)s1 ZINC000270863077 1141277302 /nfs/dbraw/zinc/27/73/02/1141277302.db2.gz DKTOLPBHHZZWFR-UHFFFAOYSA-N -1 3 328.359 3.734 20 0 EHADHM Cc1noc(C)c1[N-]C(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC000339193197 1141523843 /nfs/dbraw/zinc/52/38/43/1141523843.db2.gz APHXXBNNNMTTJQ-UHFFFAOYSA-N -1 3 331.372 3.730 20 0 EHADHM O=S(=O)([N-]c1ccc(F)cc1Br)c1ccccc1F ZINC000020430711 212127863 /nfs/dbraw/zinc/12/78/63/212127863.db2.gz HJWWPQPLDKZLDD-UHFFFAOYSA-N -1 3 348.168 3.528 20 0 EHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)c1ccccc1Cl ZINC000123717249 222322930 /nfs/dbraw/zinc/32/29/30/222322930.db2.gz KZMYQKHACTWDDW-SNVBAGLBSA-N -1 3 347.846 3.520 20 0 EHADHM O=C([O-])[C@@H]1CCCN(CCSc2cc(Cl)ccc2Cl)C1 ZINC000035296847 526273020 /nfs/dbraw/zinc/27/30/20/526273020.db2.gz RXYLJIKTLMEJCW-SNVBAGLBSA-N -1 3 334.268 3.882 20 0 EHADHM C[C@H]1CCCN(Cc2cc(C(=O)[O-])ccc2Br)[C@H]1C ZINC000675072867 564112750 /nfs/dbraw/zinc/11/27/50/564112750.db2.gz IWKFKPFZTSGAJJ-QWRGUYRKSA-N -1 3 326.234 3.768 20 0 EHADHM c1ccc2cc(CCSc3ccc(-c4nnn[n-]4)cn3)ccc2c1 ZINC000738442473 598901032 /nfs/dbraw/zinc/90/10/32/598901032.db2.gz ORYVZXUCPPTXER-UHFFFAOYSA-N -1 3 333.420 3.750 20 0 EHADHM c1ccc2cc(CCSc3ccc(-c4nn[n-]n4)cn3)ccc2c1 ZINC000738442473 598901033 /nfs/dbraw/zinc/90/10/33/598901033.db2.gz ORYVZXUCPPTXER-UHFFFAOYSA-N -1 3 333.420 3.750 20 0 EHADHM Cc1cccc([C@H](C)C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737389587 598910005 /nfs/dbraw/zinc/91/00/05/598910005.db2.gz PQRBKJLMYJPVJK-UONOGXRCSA-N -1 3 336.395 3.583 20 0 EHADHM Cc1cccc([C@H](C)C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737389587 598910006 /nfs/dbraw/zinc/91/00/06/598910006.db2.gz PQRBKJLMYJPVJK-UONOGXRCSA-N -1 3 336.395 3.583 20 0 EHADHM FC(F)(F)c1cccc(Oc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737635857 598935640 /nfs/dbraw/zinc/93/56/40/598935640.db2.gz NVRVAOUWDVMNNR-UHFFFAOYSA-N -1 3 341.680 3.726 20 0 EHADHM FC(F)(F)c1cccc(Oc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000737635857 598935642 /nfs/dbraw/zinc/93/56/42/598935642.db2.gz NVRVAOUWDVMNNR-UHFFFAOYSA-N -1 3 341.680 3.726 20 0 EHADHM Cc1cccc([C@H]2CCCN2c2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737388562 598938488 /nfs/dbraw/zinc/93/84/88/598938488.db2.gz FSDRFTRBXVSHOL-OAHLLOKOSA-N -1 3 340.818 3.565 20 0 EHADHM Cc1cccc([C@H]2CCCN2c2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000737388562 598938489 /nfs/dbraw/zinc/93/84/89/598938489.db2.gz FSDRFTRBXVSHOL-OAHLLOKOSA-N -1 3 340.818 3.565 20 0 EHADHM CCC(CC)c1cc(CNc2ccc(F)cc2-c2nnn[n-]2)on1 ZINC000820897566 599045680 /nfs/dbraw/zinc/04/56/80/599045680.db2.gz JWSNXSPPUOYPND-UHFFFAOYSA-N -1 3 330.367 3.510 20 0 EHADHM CCC(CC)c1cc(CNc2ccc(F)cc2-c2nn[n-]n2)on1 ZINC000820897566 599045683 /nfs/dbraw/zinc/04/56/83/599045683.db2.gz JWSNXSPPUOYPND-UHFFFAOYSA-N -1 3 330.367 3.510 20 0 EHADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2F)CC[C@@H]1c1ccccc1 ZINC000820769523 599050200 /nfs/dbraw/zinc/05/02/00/599050200.db2.gz VCPZGHGMLHVIQT-CJNGLKHVSA-N -1 3 337.402 3.636 20 0 EHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC(C(C)C)CC1 ZINC000822332721 599058606 /nfs/dbraw/zinc/05/86/06/599058606.db2.gz RRWPLRJKMHXXJR-UHFFFAOYSA-N -1 3 336.443 3.596 20 0 EHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCC(C(C)C)CC1 ZINC000822332721 599058609 /nfs/dbraw/zinc/05/86/09/599058609.db2.gz RRWPLRJKMHXXJR-UHFFFAOYSA-N -1 3 336.443 3.596 20 0 EHADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000820665796 599060241 /nfs/dbraw/zinc/06/02/41/599060241.db2.gz GTNZHNPEFBXVCK-BZNIZROVSA-N -1 3 341.365 3.732 20 0 EHADHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000820665796 599060242 /nfs/dbraw/zinc/06/02/42/599060242.db2.gz GTNZHNPEFBXVCK-BZNIZROVSA-N -1 3 341.365 3.732 20 0 EHADHM Fc1ccc(OCCCSc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737656957 599064000 /nfs/dbraw/zinc/06/40/00/599064000.db2.gz RFMVAPHLGCSQIZ-UHFFFAOYSA-N -1 3 348.378 3.706 20 0 EHADHM Fc1ccc(OCCCSc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737656957 599064003 /nfs/dbraw/zinc/06/40/03/599064003.db2.gz RFMVAPHLGCSQIZ-UHFFFAOYSA-N -1 3 348.378 3.706 20 0 EHADHM CS[C@@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC000821951381 599073320 /nfs/dbraw/zinc/07/33/20/599073320.db2.gz XTDZHVVKPNAQIA-NXEZZACHSA-N -1 3 343.378 3.582 20 0 EHADHM CCO[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C12CCCC2 ZINC000821360715 599101085 /nfs/dbraw/zinc/10/10/85/599101085.db2.gz SBNKBCQSJBOTLZ-HUUCEWRRSA-N -1 3 347.850 3.670 20 0 EHADHM CCO[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C12CCCC2 ZINC000821360715 599101088 /nfs/dbraw/zinc/10/10/88/599101088.db2.gz SBNKBCQSJBOTLZ-HUUCEWRRSA-N -1 3 347.850 3.670 20 0 EHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CCCC1CCCC1 ZINC000821406207 599144432 /nfs/dbraw/zinc/14/44/32/599144432.db2.gz COSGBDYYSAWCES-UHFFFAOYSA-N -1 3 343.431 3.564 20 0 EHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCC1CCCC1 ZINC000821406207 599144434 /nfs/dbraw/zinc/14/44/34/599144434.db2.gz COSGBDYYSAWCES-UHFFFAOYSA-N -1 3 343.431 3.564 20 0 EHADHM O=C(/C=C\C1CC1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822921935 599154315 /nfs/dbraw/zinc/15/43/15/599154315.db2.gz APVGLAZHVZSKOY-WDZFZDKYSA-N -1 3 347.378 3.564 20 0 EHADHM O=C(/C=C\C1CC1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822921935 599154317 /nfs/dbraw/zinc/15/43/17/599154317.db2.gz APVGLAZHVZSKOY-WDZFZDKYSA-N -1 3 347.378 3.564 20 0 EHADHM CC(C)[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000735750736 599168606 /nfs/dbraw/zinc/16/86/06/599168606.db2.gz SQUCOCMLNRTOAT-ZDUSSCGKSA-N -1 3 325.338 3.510 20 0 EHADHM CC(C)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000735750736 599168608 /nfs/dbraw/zinc/16/86/08/599168608.db2.gz SQUCOCMLNRTOAT-ZDUSSCGKSA-N -1 3 325.338 3.510 20 0 EHADHM CCCCCC[C@H](C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC000736446250 599184805 /nfs/dbraw/zinc/18/48/05/599184805.db2.gz ORAJJFYMNRSIIG-ZDUSSCGKSA-N -1 3 345.447 3.810 20 0 EHADHM CCCCCC[C@H](C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC000736446250 599184806 /nfs/dbraw/zinc/18/48/06/599184806.db2.gz ORAJJFYMNRSIIG-ZDUSSCGKSA-N -1 3 345.447 3.810 20 0 EHADHM CCCCCC[C@@H](CC)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736446797 599194528 /nfs/dbraw/zinc/19/45/28/599194528.db2.gz QDAWINJCLUJINF-CYBMUJFWSA-N -1 3 347.438 3.619 20 0 EHADHM CCCCCC[C@@H](CC)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736446797 599194532 /nfs/dbraw/zinc/19/45/32/599194532.db2.gz QDAWINJCLUJINF-CYBMUJFWSA-N -1 3 347.438 3.619 20 0 EHADHM Fc1ccc(Cl)cc1OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737659593 599247178 /nfs/dbraw/zinc/24/71/78/599247178.db2.gz JTHLQURTQKADPS-UHFFFAOYSA-N -1 3 348.765 3.507 20 0 EHADHM Cc1c(NC(=O)N(C)C2CCCCCCC2)cccc1-c1nnn[n-]1 ZINC000822075403 607287431 /nfs/dbraw/zinc/28/74/31/607287431.db2.gz DZEAKHOVZPYQDS-UHFFFAOYSA-N -1 3 342.447 3.752 20 0 EHADHM Cc1c(NC(=O)N(C)C2CCCCCCC2)cccc1-c1nn[n-]n1 ZINC000822075403 607287432 /nfs/dbraw/zinc/28/74/32/607287432.db2.gz DZEAKHOVZPYQDS-UHFFFAOYSA-N -1 3 342.447 3.752 20 0 EHADHM Cc1ncc(-c2ccc(NCc3cc(-c4nnn[n-]4)cs3)cc2)o1 ZINC000822468241 607311772 /nfs/dbraw/zinc/31/17/72/607311772.db2.gz YCPZCZMGXIILFL-UHFFFAOYSA-N -1 3 338.396 3.504 20 0 EHADHM Cc1ncc(-c2ccc(NCc3cc(-c4nn[n-]n4)cs3)cc2)o1 ZINC000822468241 607311773 /nfs/dbraw/zinc/31/17/73/607311773.db2.gz YCPZCZMGXIILFL-UHFFFAOYSA-N -1 3 338.396 3.504 20 0 EHADHM CCc1ccc([C@H]2CCCN2c2cccc(F)c2-c2nnn[n-]2)o1 ZINC000736683592 599265779 /nfs/dbraw/zinc/26/57/79/599265779.db2.gz FAFGHQUFJPUJHT-CYBMUJFWSA-N -1 3 327.363 3.503 20 0 EHADHM CCc1ccc([C@H]2CCCN2c2cccc(F)c2-c2nn[n-]n2)o1 ZINC000736683592 599265780 /nfs/dbraw/zinc/26/57/80/599265780.db2.gz FAFGHQUFJPUJHT-CYBMUJFWSA-N -1 3 327.363 3.503 20 0 EHADHM CCC[C@@]1(C)CCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000821028084 599269082 /nfs/dbraw/zinc/26/90/82/599269082.db2.gz UAUJRLQEYNLUFD-SFHVURJKSA-N -1 3 342.447 3.609 20 0 EHADHM CCC[C@@]1(C)CCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000821028084 599269084 /nfs/dbraw/zinc/26/90/84/599269084.db2.gz UAUJRLQEYNLUFD-SFHVURJKSA-N -1 3 342.447 3.609 20 0 EHADHM Cc1cc(NCc2ccc(-c3nnn[n-]3)s2)c2cccnc2c1C ZINC000822209696 607318598 /nfs/dbraw/zinc/31/85/98/607318598.db2.gz SKXSWRZQNQQSSO-UHFFFAOYSA-N -1 3 336.424 3.705 20 0 EHADHM COc1ccc([C@H](Nc2cccc(F)c2-c2nnn[n-]2)C(C)C)cc1 ZINC000737075635 598235799 /nfs/dbraw/zinc/23/57/99/598235799.db2.gz NPCOCTOLZFEMRW-QGZVFWFLSA-N -1 3 341.390 3.824 20 0 EHADHM COc1ccc([C@H](Nc2cccc(F)c2-c2nn[n-]n2)C(C)C)cc1 ZINC000737075635 598235801 /nfs/dbraw/zinc/23/58/01/598235801.db2.gz NPCOCTOLZFEMRW-QGZVFWFLSA-N -1 3 341.390 3.824 20 0 EHADHM CCOc1ccccc1[C@@H](CC)Nc1cccc(F)c1-c1nnn[n-]1 ZINC000736653770 598246650 /nfs/dbraw/zinc/24/66/50/598246650.db2.gz NHVYOZIXYLIXQX-CQSZACIVSA-N -1 3 341.390 3.968 20 0 EHADHM CCOc1ccccc1[C@@H](CC)Nc1cccc(F)c1-c1nn[n-]n1 ZINC000736653770 598246652 /nfs/dbraw/zinc/24/66/52/598246652.db2.gz NHVYOZIXYLIXQX-CQSZACIVSA-N -1 3 341.390 3.968 20 0 EHADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)c1nc(-c2ccccc2)cs1 ZINC000736140698 598426641 /nfs/dbraw/zinc/42/66/41/598426641.db2.gz ZYINGNBMSWJYQB-LLVKDONJSA-N -1 3 349.423 3.558 20 0 EHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)c1nc(-c2ccccc2)cs1 ZINC000736140698 598426644 /nfs/dbraw/zinc/42/66/44/598426644.db2.gz ZYINGNBMSWJYQB-LLVKDONJSA-N -1 3 349.423 3.558 20 0 EHADHM C[C@@H]1C[C@H](CC(=O)Nc2sccc2-c2nnn[n-]2)CC(C)(C)C1 ZINC000736227625 598441027 /nfs/dbraw/zinc/44/10/27/598441027.db2.gz LZMXIZGLKVPJCX-GHMZBOCLSA-N -1 3 333.461 3.719 20 0 EHADHM C[C@@H]1C[C@H](CC(=O)Nc2sccc2-c2nn[n-]n2)CC(C)(C)C1 ZINC000736227625 598441028 /nfs/dbraw/zinc/44/10/28/598441028.db2.gz LZMXIZGLKVPJCX-GHMZBOCLSA-N -1 3 333.461 3.719 20 0 EHADHM CC(=CC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000727368094 598440338 /nfs/dbraw/zinc/44/03/38/598440338.db2.gz MSPLXDRZRNYTSE-LUAWRHEFSA-N -1 3 339.786 3.562 20 0 EHADHM CC(=CC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000727368094 598440339 /nfs/dbraw/zinc/44/03/39/598440339.db2.gz MSPLXDRZRNYTSE-LUAWRHEFSA-N -1 3 339.786 3.562 20 0 EHADHM C[C@H](OC(=O)CCCc1cccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000736148231 598488943 /nfs/dbraw/zinc/48/89/43/598488943.db2.gz GGSVUABCSAZBHS-LBPRGKRZSA-N -1 3 342.424 3.555 20 0 EHADHM C[C@H](OC(=O)CCCc1cccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000736148231 598488944 /nfs/dbraw/zinc/48/89/44/598488944.db2.gz GGSVUABCSAZBHS-LBPRGKRZSA-N -1 3 342.424 3.555 20 0 EHADHM CCCC[C@H]1CCC[C@H]1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736442334 598513587 /nfs/dbraw/zinc/51/35/87/598513587.db2.gz WNZXIGZZLNYDRK-GXTWGEPZSA-N -1 3 344.488 3.512 20 0 EHADHM CCCC[C@H]1CCC[C@H]1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736442334 598513588 /nfs/dbraw/zinc/51/35/88/598513588.db2.gz WNZXIGZZLNYDRK-GXTWGEPZSA-N -1 3 344.488 3.512 20 0 EHADHM C[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000736279238 598577338 /nfs/dbraw/zinc/57/73/38/598577338.db2.gz WURUTQCYNIRCJZ-JTQLQIEISA-N -1 3 325.338 3.512 20 0 EHADHM C[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000736279238 598577340 /nfs/dbraw/zinc/57/73/40/598577340.db2.gz WURUTQCYNIRCJZ-JTQLQIEISA-N -1 3 325.338 3.512 20 0 EHADHM Fc1ccc(COc2cccc(Cl)c2Cl)c(-c2nnn[n-]2)c1 ZINC000737650372 598643948 /nfs/dbraw/zinc/64/39/48/598643948.db2.gz RASXAHNTGXJAEI-UHFFFAOYSA-N -1 3 339.157 3.892 20 0 EHADHM Fc1ccc(COc2cccc(Cl)c2Cl)c(-c2nn[n-]n2)c1 ZINC000737650372 598643950 /nfs/dbraw/zinc/64/39/50/598643950.db2.gz RASXAHNTGXJAEI-UHFFFAOYSA-N -1 3 339.157 3.892 20 0 EHADHM Fc1cccc(N[C@H](c2ccccc2)c2cccnc2)c1-c1nnn[n-]1 ZINC000737661752 598673190 /nfs/dbraw/zinc/67/31/90/598673190.db2.gz PULANFBRIVFMET-GOSISDBHSA-N -1 3 346.369 3.602 20 0 EHADHM Fc1cccc(N[C@H](c2ccccc2)c2cccnc2)c1-c1nn[n-]n1 ZINC000737661752 598673192 /nfs/dbraw/zinc/67/31/92/598673192.db2.gz PULANFBRIVFMET-GOSISDBHSA-N -1 3 346.369 3.602 20 0 EHADHM CC(C)(C)c1cnc(CSCc2ccc(F)cc2-c2nnn[n-]2)o1 ZINC000735652620 598695487 /nfs/dbraw/zinc/69/54/87/598695487.db2.gz ODFBCGAPSLHJMR-UHFFFAOYSA-N -1 3 347.419 3.725 20 0 EHADHM CC(C)(C)c1cnc(CSCc2ccc(F)cc2-c2nn[n-]n2)o1 ZINC000735652620 598695489 /nfs/dbraw/zinc/69/54/89/598695489.db2.gz ODFBCGAPSLHJMR-UHFFFAOYSA-N -1 3 347.419 3.725 20 0 EHADHM CC[C@@H](CC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736331387 598737533 /nfs/dbraw/zinc/73/75/33/598737533.db2.gz JMNCPRPNVQHDMA-LBPRGKRZSA-N -1 3 339.374 3.528 20 0 EHADHM CC[C@@H](CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736331387 598737535 /nfs/dbraw/zinc/73/75/35/598737535.db2.gz JMNCPRPNVQHDMA-LBPRGKRZSA-N -1 3 339.374 3.528 20 0 EHADHM CN(C)c1ccc(-c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)cc1 ZINC000141751686 598776524 /nfs/dbraw/zinc/77/65/24/598776524.db2.gz RTVVDUSDFAJBRV-UHFFFAOYSA-N -1 3 348.435 3.723 20 0 EHADHM CN(C)c1ccc(-c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)cc1 ZINC000141751686 598776526 /nfs/dbraw/zinc/77/65/26/598776526.db2.gz RTVVDUSDFAJBRV-UHFFFAOYSA-N -1 3 348.435 3.723 20 0 EHADHM CCC/C=C/C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736437875 598818573 /nfs/dbraw/zinc/81/85/73/598818573.db2.gz HFCISSCZLONZIX-SNAWJCMRSA-N -1 3 349.394 3.954 20 0 EHADHM CCC/C=C/C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736437875 598818574 /nfs/dbraw/zinc/81/85/74/598818574.db2.gz HFCISSCZLONZIX-SNAWJCMRSA-N -1 3 349.394 3.954 20 0 EHADHM CC[C@H](CC(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736332799 598818942 /nfs/dbraw/zinc/81/89/42/598818942.db2.gz OIDYBMFRTKHNGG-HUUCEWRRSA-N -1 3 343.475 3.849 20 0 EHADHM CC[C@H](CC(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736332799 598818944 /nfs/dbraw/zinc/81/89/44/598818944.db2.gz OIDYBMFRTKHNGG-HUUCEWRRSA-N -1 3 343.475 3.849 20 0 EHADHM Clc1cccc(NCCSc2ccccc2)c1-c1nnn[n-]1 ZINC000822585587 599316813 /nfs/dbraw/zinc/31/68/13/599316813.db2.gz GFXSDQANUQXFFC-UHFFFAOYSA-N -1 3 331.832 3.724 20 0 EHADHM Clc1cccc(NCCSc2ccccc2)c1-c1nn[n-]n1 ZINC000822585587 599316816 /nfs/dbraw/zinc/31/68/16/599316816.db2.gz GFXSDQANUQXFFC-UHFFFAOYSA-N -1 3 331.832 3.724 20 0 EHADHM CCO[C@H](C)c1nc(CSc2ccccc2-c2nnn[n-]2)cs1 ZINC000821346596 599344347 /nfs/dbraw/zinc/34/43/47/599344347.db2.gz MPGXLXLPJNLMBG-SNVBAGLBSA-N -1 3 347.469 3.713 20 0 EHADHM CCO[C@H](C)c1nc(CSc2ccccc2-c2nn[n-]n2)cs1 ZINC000821346596 599344351 /nfs/dbraw/zinc/34/43/51/599344351.db2.gz MPGXLXLPJNLMBG-SNVBAGLBSA-N -1 3 347.469 3.713 20 0 EHADHM Cc1ccc(CNc2ccc(Br)cc2-c2nnn[n-]2)cc1 ZINC000737340755 599361996 /nfs/dbraw/zinc/36/19/96/599361996.db2.gz CMIQPYYNIBGANJ-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM Cc1ccc(CNc2ccc(Br)cc2-c2nn[n-]n2)cc1 ZINC000737340755 599361999 /nfs/dbraw/zinc/36/19/99/599361999.db2.gz CMIQPYYNIBGANJ-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM C[C@@H](Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820455727 599365049 /nfs/dbraw/zinc/36/50/49/599365049.db2.gz MPFDCTFRYNEXNE-SNVBAGLBSA-N -1 3 349.316 3.938 20 0 EHADHM C[C@@H](Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820455727 599365053 /nfs/dbraw/zinc/36/50/53/599365053.db2.gz MPFDCTFRYNEXNE-SNVBAGLBSA-N -1 3 349.316 3.938 20 0 EHADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1ccccc1OC(F)F ZINC000822130865 599387249 /nfs/dbraw/zinc/38/72/49/599387249.db2.gz ZOVBQPLXBMHZFC-UHFFFAOYSA-N -1 3 346.337 3.664 20 0 EHADHM C[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccc(-c2ccccc2)cc1 ZINC000820432938 599390375 /nfs/dbraw/zinc/39/03/75/599390375.db2.gz UDGZCCKGRYJRCQ-AWEZNQCLSA-N -1 3 345.406 3.978 20 0 EHADHM c1cc(-c2nnn[n-]2)oc1CNCc1cccc(Oc2ccccc2)c1 ZINC000823791606 599405148 /nfs/dbraw/zinc/40/51/48/599405148.db2.gz FYQXVIBLXFMVIB-UHFFFAOYSA-N -1 3 347.378 3.542 20 0 EHADHM C[C@H]1C[C@@H]1c1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)o1 ZINC000736236335 599413916 /nfs/dbraw/zinc/41/39/16/599413916.db2.gz JKKJNIASLKBFLD-ZANVPECISA-N -1 3 329.791 3.849 20 0 EHADHM C[C@H]1C[C@@H]1c1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)o1 ZINC000736236335 599413921 /nfs/dbraw/zinc/41/39/21/599413921.db2.gz JKKJNIASLKBFLD-ZANVPECISA-N -1 3 329.791 3.849 20 0 EHADHM CCOc1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000736644382 599418412 /nfs/dbraw/zinc/41/84/12/599418412.db2.gz KEBYVUOJQVKJHB-UHFFFAOYSA-N -1 3 329.791 3.531 20 0 EHADHM CCOc1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000736644382 599418409 /nfs/dbraw/zinc/41/84/09/599418409.db2.gz KEBYVUOJQVKJHB-UHFFFAOYSA-N -1 3 329.791 3.531 20 0 EHADHM CC[C@@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1OC ZINC000820926369 599470835 /nfs/dbraw/zinc/47/08/35/599470835.db2.gz SDSWJOWBQPUONN-CQSZACIVSA-N -1 3 327.363 3.578 20 0 EHADHM CC[C@@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1OC ZINC000820926369 599470837 /nfs/dbraw/zinc/47/08/37/599470837.db2.gz SDSWJOWBQPUONN-CQSZACIVSA-N -1 3 327.363 3.578 20 0 EHADHM CC(C)Oc1cccc([C@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000820178728 599476489 /nfs/dbraw/zinc/47/64/89/599476489.db2.gz ZFYUSXDZYQLWCY-LBPRGKRZSA-N -1 3 341.390 3.966 20 0 EHADHM CC(C)Oc1cccc([C@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000820178728 599476490 /nfs/dbraw/zinc/47/64/90/599476490.db2.gz ZFYUSXDZYQLWCY-LBPRGKRZSA-N -1 3 341.390 3.966 20 0 EHADHM Cc1ccc2c(c1)CC[C@H]2Nc1c(Cl)cccc1-c1nnn[n-]1 ZINC000822275898 599493540 /nfs/dbraw/zinc/49/35/40/599493540.db2.gz ZOBVNBJWQVYJEH-OAHLLOKOSA-N -1 3 325.803 3.928 20 0 EHADHM Cc1ccc2c(c1)CC[C@H]2Nc1c(Cl)cccc1-c1nn[n-]n1 ZINC000822275898 599493541 /nfs/dbraw/zinc/49/35/41/599493541.db2.gz ZOBVNBJWQVYJEH-OAHLLOKOSA-N -1 3 325.803 3.928 20 0 EHADHM Fc1ccc(N[C@@H]2CCc3cc(Cl)ccc32)c(-c2nnn[n-]2)c1 ZINC000822778425 599493852 /nfs/dbraw/zinc/49/38/52/599493852.db2.gz HSAKGIFLBNCCLD-CQSZACIVSA-N -1 3 329.766 3.759 20 0 EHADHM Fc1ccc(N[C@@H]2CCc3cc(Cl)ccc32)c(-c2nn[n-]n2)c1 ZINC000822778425 599493854 /nfs/dbraw/zinc/49/38/54/599493854.db2.gz HSAKGIFLBNCCLD-CQSZACIVSA-N -1 3 329.766 3.759 20 0 EHADHM C[C@@H](Nc1c(Cl)cccc1-c1nnn[n-]1)c1nc2ccccc2[nH]1 ZINC000820450320 599494152 /nfs/dbraw/zinc/49/41/52/599494152.db2.gz JQSGWCAKQLSHHX-SECBINFHSA-N -1 3 339.790 3.570 20 0 EHADHM C[C@@H](Nc1c(Cl)cccc1-c1nn[n-]n1)c1nc2ccccc2[nH]1 ZINC000820450320 599494155 /nfs/dbraw/zinc/49/41/55/599494155.db2.gz JQSGWCAKQLSHHX-SECBINFHSA-N -1 3 339.790 3.570 20 0 EHADHM Fc1cccc2c1CC[C@@H]2Nc1c(Cl)cccc1-c1nnn[n-]1 ZINC000822791908 599494314 /nfs/dbraw/zinc/49/43/14/599494314.db2.gz MVKPNSNLZLZRIB-AWEZNQCLSA-N -1 3 329.766 3.759 20 0 EHADHM Fc1cccc2c1CC[C@@H]2Nc1c(Cl)cccc1-c1nn[n-]n1 ZINC000822791908 599494315 /nfs/dbraw/zinc/49/43/15/599494315.db2.gz MVKPNSNLZLZRIB-AWEZNQCLSA-N -1 3 329.766 3.759 20 0 EHADHM CC(C)c1ccsc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820197589 599528095 /nfs/dbraw/zinc/52/80/95/599528095.db2.gz MHMUTKLVGRNETR-LLVKDONJSA-N -1 3 341.440 3.543 20 0 EHADHM CC(C)c1ccsc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820197589 599528097 /nfs/dbraw/zinc/52/80/97/599528097.db2.gz MHMUTKLVGRNETR-LLVKDONJSA-N -1 3 341.440 3.543 20 0 EHADHM CC[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(C)cc1 ZINC000606187847 599538093 /nfs/dbraw/zinc/53/80/93/599538093.db2.gz QZONEKOENNYSBJ-AWEZNQCLSA-N -1 3 335.411 3.698 20 0 EHADHM CC[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(C)cc1 ZINC000606187847 599538096 /nfs/dbraw/zinc/53/80/96/599538096.db2.gz QZONEKOENNYSBJ-AWEZNQCLSA-N -1 3 335.411 3.698 20 0 EHADHM CC(C)(C)CCC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819906625 599632445 /nfs/dbraw/zinc/63/24/45/599632445.db2.gz HTWBHNRSGGKQGM-UHFFFAOYSA-N -1 3 341.337 3.650 20 0 EHADHM CC(C)(C)CCC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819906625 599632446 /nfs/dbraw/zinc/63/24/46/599632446.db2.gz HTWBHNRSGGKQGM-UHFFFAOYSA-N -1 3 341.337 3.650 20 0 EHADHM Cc1cscc1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826321073 607394997 /nfs/dbraw/zinc/39/49/97/607394997.db2.gz PCRNGBQYIHDODR-UHFFFAOYSA-N -1 3 334.792 3.534 20 0 EHADHM Cc1cscc1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826321073 607394999 /nfs/dbraw/zinc/39/49/99/607394999.db2.gz PCRNGBQYIHDODR-UHFFFAOYSA-N -1 3 334.792 3.534 20 0 EHADHM Cc1cc(C)c(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c(Cl)c1 ZINC000826263752 607428794 /nfs/dbraw/zinc/42/87/94/607428794.db2.gz OYXPGAXDSCRSMZ-UHFFFAOYSA-N -1 3 341.802 3.698 20 0 EHADHM Cc1cc(C)c(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c(Cl)c1 ZINC000826263752 607428795 /nfs/dbraw/zinc/42/87/95/607428795.db2.gz OYXPGAXDSCRSMZ-UHFFFAOYSA-N -1 3 341.802 3.698 20 0 EHADHM O=C([O-])[C@H]1CC12CCN(CCOc1cc(Cl)ccc1Cl)CC2 ZINC000572168599 600304367 /nfs/dbraw/zinc/30/43/67/600304367.db2.gz DJSOQWKRKFRWBH-GFCCVEGCSA-N -1 3 344.238 3.559 20 0 EHADHM O=C([O-])c1ccc(CN2CCC(c3c[nH]c4cc(F)ccc43)CC2)o1 ZINC000740123325 600331132 /nfs/dbraw/zinc/33/11/32/600331132.db2.gz GESVRYLJYRIGKC-UHFFFAOYSA-N -1 3 342.370 3.978 20 0 EHADHM COc1ccc2cc(CN[C@@H](C(=O)[O-])c3ccc(F)cc3)ccc2c1 ZINC000738078293 600419374 /nfs/dbraw/zinc/41/93/74/600419374.db2.gz BSBFVDUUNXYRKM-LJQANCHMSA-N -1 3 339.366 3.903 20 0 EHADHM Cc1ccc(OCc2nc(CNC(C)(C)CCC(=O)[O-])cs2)cc1 ZINC000738648703 600446272 /nfs/dbraw/zinc/44/62/72/600446272.db2.gz KIDUOAFWBJEDFV-UHFFFAOYSA-N -1 3 348.468 3.764 20 0 EHADHM O=C([O-])c1ccc(CN2CCC(OC3CCCCC3)CC2)cc1F ZINC000833312889 601626002 /nfs/dbraw/zinc/62/60/02/601626002.db2.gz JEGSSRXZMHHQCF-UHFFFAOYSA-N -1 3 335.419 3.838 20 0 EHADHM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(CCC(C)(C)C)CC2 ZINC000574165316 601844924 /nfs/dbraw/zinc/84/49/24/601844924.db2.gz VEPITWPFJJQKJC-OAHLLOKOSA-N -1 3 335.444 3.514 20 0 EHADHM CN(Cc1cccc(O)c1)[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000830852604 602043704 /nfs/dbraw/zinc/04/37/04/602043704.db2.gz QSFAOYKJQPCLHO-OAHLLOKOSA-N -1 3 340.206 3.957 20 0 EHADHM O=C([O-])Nc1ccccc1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000740716652 602174475 /nfs/dbraw/zinc/17/44/75/602174475.db2.gz XSZSPIONNIMULL-UHFFFAOYSA-N -1 3 339.395 3.625 20 0 EHADHM CC(C)(C)OCc1cccc(CNCc2ccc(NC(=O)[O-])nc2)c1 ZINC000823833203 603545883 /nfs/dbraw/zinc/54/58/83/603545883.db2.gz LFQFQPPCMNFIOJ-UHFFFAOYSA-N -1 3 343.427 3.776 20 0 EHADHM c1sc(NCc2ccccc2)nc1-c1cccc(-c2nnn[n-]2)c1 ZINC000826521421 607645409 /nfs/dbraw/zinc/64/54/09/607645409.db2.gz LLUOLMZPWWHICP-UHFFFAOYSA-N -1 3 334.408 3.602 20 0 EHADHM c1sc(NCc2ccccc2)nc1-c1cccc(-c2nn[n-]n2)c1 ZINC000826521421 607645411 /nfs/dbraw/zinc/64/54/11/607645411.db2.gz LLUOLMZPWWHICP-UHFFFAOYSA-N -1 3 334.408 3.602 20 0 EHADHM O=C([O-])N1CCc2cccc(CNCc3cccc4cccnc43)c21 ZINC000832087485 603858270 /nfs/dbraw/zinc/85/82/70/603858270.db2.gz VTQFJBGPMVLRLS-UHFFFAOYSA-N -1 3 333.391 3.565 20 0 EHADHM CC(C)c1ccc(NC(=O)C[C@H](C)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000827234358 604329652 /nfs/dbraw/zinc/32/96/52/604329652.db2.gz FABXVDCEZZAUKM-ZDUSSCGKSA-N -1 3 344.411 3.608 20 0 EHADHM c1cc2cccc(NCCOc3cccc(-c4nnn[n-]4)c3)c2s1 ZINC000826517950 607688210 /nfs/dbraw/zinc/68/82/10/607688210.db2.gz WCUKUUJMBRYOOB-UHFFFAOYSA-N -1 3 337.408 3.572 20 0 EHADHM c1cc2cccc(NCCOc3cccc(-c4nn[n-]n4)c3)c2s1 ZINC000826517950 607688212 /nfs/dbraw/zinc/68/82/12/607688212.db2.gz WCUKUUJMBRYOOB-UHFFFAOYSA-N -1 3 337.408 3.572 20 0 EHADHM C[C@@H](NC(=O)C[C@@H]1CCCCC1(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824479630 607693359 /nfs/dbraw/zinc/69/33/59/607693359.db2.gz PCROQEOMQHWPCS-CJNGLKHVSA-N -1 3 341.459 3.650 20 0 EHADHM C[C@@H](NC(=O)C[C@@H]1CCCCC1(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824479630 607693360 /nfs/dbraw/zinc/69/33/60/607693360.db2.gz PCROQEOMQHWPCS-CJNGLKHVSA-N -1 3 341.459 3.650 20 0 EHADHM CC[C@H](C)Oc1cc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)ccc1OC ZINC000833641410 604647397 /nfs/dbraw/zinc/64/73/97/604647397.db2.gz YBNBCHDMGOEPCJ-HOCLYGCPSA-N -1 3 347.455 3.559 20 0 EHADHM O=C([O-])[C@@H](NCc1ccc(OC2CCCCC2)cc1)c1cccnc1 ZINC000833170620 605000244 /nfs/dbraw/zinc/00/02/44/605000244.db2.gz ZOTMPULCSOSSDK-IBGZPJMESA-N -1 3 340.423 3.709 20 0 EHADHM C[C@@]1(NCc2ncc(-c3cccc(F)c3)o2)CCCC[C@H]1C(=O)[O-] ZINC000833569586 605071808 /nfs/dbraw/zinc/07/18/08/605071808.db2.gz NXHNJFDUJHIRCV-KBXCAEBGSA-N -1 3 332.375 3.604 20 0 EHADHM CC(C)OC1CCC(Nc2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000824309903 607734730 /nfs/dbraw/zinc/73/47/30/607734730.db2.gz ZOTOITJCXKKZBH-UHFFFAOYSA-N -1 3 335.839 3.668 20 0 EHADHM CC(C)OC1CCC(Nc2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000824309903 607734731 /nfs/dbraw/zinc/73/47/31/607734731.db2.gz ZOTOITJCXKKZBH-UHFFFAOYSA-N -1 3 335.839 3.668 20 0 EHADHM CC(C)(NCc1ccc(C(=O)[O-])[nH]1)c1ccc(Br)cc1 ZINC000833460764 605114990 /nfs/dbraw/zinc/11/49/90/605114990.db2.gz IWULBELDKGCKEO-UHFFFAOYSA-N -1 3 337.217 3.500 20 0 EHADHM CCc1ccc([C@H](C)N[C@H](C(=O)[O-])c2cccc(C(=O)OC)c2)cc1 ZINC000833669602 605194916 /nfs/dbraw/zinc/19/49/16/605194916.db2.gz HSBOMAQALWAUKD-UGSOOPFHSA-N -1 3 341.407 3.512 20 0 EHADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C[C@@H]1CC(C(=O)[O-])=C(C)O1 ZINC000833575723 605372726 /nfs/dbraw/zinc/37/27/26/605372726.db2.gz BXWFFQSEVGLNMK-YPMHNXCESA-N -1 3 338.473 3.715 20 0 EHADHM O=C([O-])Nc1cccc(CNC2(c3ccc(F)cc3)CCOCC2)c1 ZINC000834267878 605606369 /nfs/dbraw/zinc/60/63/69/605606369.db2.gz CQCVVLSMWFHCFX-UHFFFAOYSA-N -1 3 344.386 3.711 20 0 EHADHM C[C@H]1C[C@H]1c1ccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)o1 ZINC000820675139 606050794 /nfs/dbraw/zinc/05/07/94/606050794.db2.gz HZBVUDUMUZTVFA-SMDDNHRTSA-N -1 3 346.394 3.743 20 0 EHADHM C[C@H]1C[C@H]1c1ccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)o1 ZINC000820675139 606050800 /nfs/dbraw/zinc/05/08/00/606050800.db2.gz HZBVUDUMUZTVFA-SMDDNHRTSA-N -1 3 346.394 3.743 20 0 EHADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1Cl ZINC000820427865 606223988 /nfs/dbraw/zinc/22/39/88/606223988.db2.gz VMLSWJAWTUDGLN-SNVBAGLBSA-N -1 3 331.782 3.510 20 0 EHADHM CCCCOc1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000821077492 606410449 /nfs/dbraw/zinc/41/04/49/606410449.db2.gz HZRXMOBENNHAAI-UHFFFAOYSA-N -1 3 329.429 3.719 20 0 EHADHM CC(C)Oc1c(Cl)cccc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000820145574 606421126 /nfs/dbraw/zinc/42/11/26/606421126.db2.gz AWRPJMZBDYWPGU-UHFFFAOYSA-N -1 3 349.847 3.981 20 0 EHADHM CC(C)CCOc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000820076519 606425037 /nfs/dbraw/zinc/42/50/37/606425037.db2.gz KLIBCBYWWBZSLG-UHFFFAOYSA-N -1 3 343.456 3.965 20 0 EHADHM CC(C)(C)OCc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000819950681 606472969 /nfs/dbraw/zinc/47/29/69/606472969.db2.gz LAODRJDSZKJWRK-UHFFFAOYSA-N -1 3 343.456 3.855 20 0 EHADHM CC(C)(C)OCc1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819950333 606473042 /nfs/dbraw/zinc/47/30/42/606473042.db2.gz IUUAISWSJRRSLP-UHFFFAOYSA-N -1 3 337.427 3.794 20 0 EHADHM CC(C)(C)OCc1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819950333 606473043 /nfs/dbraw/zinc/47/30/43/606473043.db2.gz IUUAISWSJRRSLP-UHFFFAOYSA-N -1 3 337.427 3.794 20 0 EHADHM CCC1CCC(N(C(=O)c2cc(-c3nnn[n-]3)cs2)C2CC2)CC1 ZINC000820971302 606490663 /nfs/dbraw/zinc/49/06/63/606490663.db2.gz AXTAOGLEAYSTLY-UHFFFAOYSA-N -1 3 345.472 3.502 20 0 EHADHM CCC1CCC(N(C(=O)c2cc(-c3nn[n-]n3)cs2)C2CC2)CC1 ZINC000820971302 606490664 /nfs/dbraw/zinc/49/06/64/606490664.db2.gz AXTAOGLEAYSTLY-UHFFFAOYSA-N -1 3 345.472 3.502 20 0 EHADHM C[C@H](Nc1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1F ZINC000822000776 606592562 /nfs/dbraw/zinc/59/25/62/606592562.db2.gz ZFYFFBFKUDPAMZ-ZETCQYMHSA-N -1 3 337.280 3.596 20 0 EHADHM C[C@H](Nc1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1F ZINC000822000776 606592564 /nfs/dbraw/zinc/59/25/64/606592564.db2.gz ZFYFFBFKUDPAMZ-ZETCQYMHSA-N -1 3 337.280 3.596 20 0 EHADHM CCN(C(=O)/C=C1\CC[C@H](C)C1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149150 606619193 /nfs/dbraw/zinc/61/91/93/606619193.db2.gz STSGSWDJIWEPQT-HMVKAIMHSA-N -1 3 339.443 3.523 20 0 EHADHM CCN(C(=O)/C=C1\CC[C@H](C)C1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149150 606619195 /nfs/dbraw/zinc/61/91/95/606619195.db2.gz STSGSWDJIWEPQT-HMVKAIMHSA-N -1 3 339.443 3.523 20 0 EHADHM CC1(C)C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)c2ccccc2O1 ZINC000820589068 606725477 /nfs/dbraw/zinc/72/54/77/606725477.db2.gz ABLWPQAZYMJPHG-AWEZNQCLSA-N -1 3 339.374 3.720 20 0 EHADHM CC1(C)C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)c2ccccc2O1 ZINC000820589068 606725478 /nfs/dbraw/zinc/72/54/78/606725478.db2.gz ABLWPQAZYMJPHG-AWEZNQCLSA-N -1 3 339.374 3.720 20 0 EHADHM Fc1cccc([C@@H](Nc2ccc(-c3nnn[n-]3)cn2)c2ccccc2)c1 ZINC000822786437 606734144 /nfs/dbraw/zinc/73/41/44/606734144.db2.gz KGYSZSFKGOVZHA-SFHVURJKSA-N -1 3 346.369 3.602 20 0 EHADHM Fc1cccc([C@@H](Nc2ccc(-c3nn[n-]n3)cn2)c2ccccc2)c1 ZINC000822786437 606734146 /nfs/dbraw/zinc/73/41/46/606734146.db2.gz KGYSZSFKGOVZHA-SFHVURJKSA-N -1 3 346.369 3.602 20 0 EHADHM CCCC[C@@H](CCC)OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821042460 606757110 /nfs/dbraw/zinc/75/71/10/606757110.db2.gz BDWOFMWWKDGXEG-LLVKDONJSA-N -1 3 338.358 3.661 20 0 EHADHM CCCC[C@@H](CCC)OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821042460 606757108 /nfs/dbraw/zinc/75/71/08/606757108.db2.gz BDWOFMWWKDGXEG-LLVKDONJSA-N -1 3 338.358 3.661 20 0 EHADHM Fc1cc(-c2nnn[n-]2)ccc1SCc1ccn(C2CCCC2)n1 ZINC000822748007 606869129 /nfs/dbraw/zinc/86/91/29/606869129.db2.gz CETDTCVLABTGMU-UHFFFAOYSA-N -1 3 344.419 3.610 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1SCc1ccn(C2CCCC2)n1 ZINC000822748007 606869131 /nfs/dbraw/zinc/86/91/31/606869131.db2.gz CETDTCVLABTGMU-UHFFFAOYSA-N -1 3 344.419 3.610 20 0 EHADHM C[C@H]1CCC[C@H](CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000820696899 606962271 /nfs/dbraw/zinc/96/22/71/606962271.db2.gz CVASKIAWZKFHAW-RYUDHWBXSA-N -1 3 347.850 3.699 20 0 EHADHM C[C@H]1CCC[C@H](CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000820696899 606962273 /nfs/dbraw/zinc/96/22/73/606962273.db2.gz CVASKIAWZKFHAW-RYUDHWBXSA-N -1 3 347.850 3.699 20 0 EHADHM C[C@@H](c1ccccc1Cl)N(C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820570693 606963582 /nfs/dbraw/zinc/96/35/82/606963582.db2.gz PEMXDVGALSNHLK-NSHDSACASA-N -1 3 345.809 3.852 20 0 EHADHM COc1ccc(CSCc2cc(F)ccc2-c2nnn[n-]2)cc1F ZINC000821824513 607033353 /nfs/dbraw/zinc/03/33/53/607033353.db2.gz LBTDKIREIBOOLL-UHFFFAOYSA-N -1 3 348.378 3.587 20 0 EHADHM COc1ccc(CSCc2cc(F)ccc2-c2nn[n-]n2)cc1F ZINC000821824513 607033355 /nfs/dbraw/zinc/03/33/55/607033355.db2.gz LBTDKIREIBOOLL-UHFFFAOYSA-N -1 3 348.378 3.587 20 0 EHADHM Fc1ccc(CSCCCCC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000826374920 607785171 /nfs/dbraw/zinc/78/51/71/607785171.db2.gz RRGHKSCRZBDMKD-UHFFFAOYSA-N -1 3 334.342 3.972 20 0 EHADHM Fc1ccc(CSCCCCC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000826374920 607785172 /nfs/dbraw/zinc/78/51/72/607785172.db2.gz RRGHKSCRZBDMKD-UHFFFAOYSA-N -1 3 334.342 3.972 20 0 EHADHM FC(F)(F)CCCCSCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826367839 607785256 /nfs/dbraw/zinc/78/52/56/607785256.db2.gz QMISOEKEAJOBTJ-UHFFFAOYSA-N -1 3 346.378 3.711 20 0 EHADHM CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824507308 607793711 /nfs/dbraw/zinc/79/37/11/607793711.db2.gz WFBHUBICQGFPGN-KKUMJFAQSA-N -1 3 341.459 3.506 20 0 EHADHM CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824507308 607793712 /nfs/dbraw/zinc/79/37/12/607793712.db2.gz WFBHUBICQGFPGN-KKUMJFAQSA-N -1 3 341.459 3.506 20 0 EHADHM c1cc(COc2cccc(NCC3CCC3)c2)cc(-c2nnn[n-]2)c1 ZINC000826516896 607808596 /nfs/dbraw/zinc/80/85/96/607808596.db2.gz GZJLXKWKKKJLEU-UHFFFAOYSA-N -1 3 335.411 3.658 20 0 EHADHM c1cc(COc2cccc(NCC3CCC3)c2)cc(-c2nn[n-]n2)c1 ZINC000826516896 607808597 /nfs/dbraw/zinc/80/85/97/607808597.db2.gz GZJLXKWKKKJLEU-UHFFFAOYSA-N -1 3 335.411 3.658 20 0 EHADHM CCN(C(=O)CCC1CCCC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825372424 607878736 /nfs/dbraw/zinc/87/87/36/607878736.db2.gz XYGOHUWIBKVFBP-UHFFFAOYSA-N -1 3 347.850 3.843 20 0 EHADHM CCN(C(=O)CCC1CCCC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825372424 607878737 /nfs/dbraw/zinc/87/87/37/607878737.db2.gz XYGOHUWIBKVFBP-UHFFFAOYSA-N -1 3 347.850 3.843 20 0 EHADHM Cc1noc(C)c1CCS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826338973 607880946 /nfs/dbraw/zinc/88/09/46/607880946.db2.gz NIQVXZNSPSGGHA-GFCCVEGCSA-N -1 3 329.429 3.508 20 0 EHADHM Cc1noc(C)c1CCS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826338973 607880947 /nfs/dbraw/zinc/88/09/47/607880947.db2.gz NIQVXZNSPSGGHA-GFCCVEGCSA-N -1 3 329.429 3.508 20 0 EHADHM C[C@H](NC(=O)C[C@H]1CCCC(C)(C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000824480057 607905906 /nfs/dbraw/zinc/90/59/06/607905906.db2.gz SBHBAJPSXQWIBV-UONOGXRCSA-N -1 3 341.459 3.650 20 0 EHADHM C[C@H](NC(=O)C[C@H]1CCCC(C)(C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824480057 607905907 /nfs/dbraw/zinc/90/59/07/607905907.db2.gz SBHBAJPSXQWIBV-UONOGXRCSA-N -1 3 341.459 3.650 20 0 EHADHM CC1(C)CCC[C@@H](CC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000824801716 607927046 /nfs/dbraw/zinc/92/70/46/607927046.db2.gz GZBWRFBHLNCTPA-NSHDSACASA-N -1 3 331.395 3.551 20 0 EHADHM CC1(C)CCC[C@@H](CC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000824801716 607927047 /nfs/dbraw/zinc/92/70/47/607927047.db2.gz GZBWRFBHLNCTPA-NSHDSACASA-N -1 3 331.395 3.551 20 0 EHADHM CC(C)c1ccc([C@H]2CCCN2c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000824347815 607968659 /nfs/dbraw/zinc/96/86/59/607968659.db2.gz ORHIPCNPMNWHLB-GOSISDBHSA-N -1 3 334.427 3.727 20 0 EHADHM CC(C)c1ccc([C@H]2CCCN2c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000824347815 607968660 /nfs/dbraw/zinc/96/86/60/607968660.db2.gz ORHIPCNPMNWHLB-GOSISDBHSA-N -1 3 334.427 3.727 20 0 EHADHM CCC(CC)[C@@H](C)C(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825096332 608058214 /nfs/dbraw/zinc/05/82/14/608058214.db2.gz MFGGVFGZYBVHPH-ZIAGYGMSSA-N -1 3 343.475 3.849 20 0 EHADHM CCC(CC)[C@@H](C)C(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825096332 608058215 /nfs/dbraw/zinc/05/82/15/608058215.db2.gz MFGGVFGZYBVHPH-ZIAGYGMSSA-N -1 3 343.475 3.849 20 0 EHADHM CC(C)(C)[C@@H]1C[C@@H](Nc2c(Cl)cccc2-c2nnn[n-]2)CCO1 ZINC000824079000 608149249 /nfs/dbraw/zinc/14/92/49/608149249.db2.gz MAWJAMIGVGXBGE-GWCFXTLKSA-N -1 3 335.839 3.526 20 0 EHADHM CC(C)(C)[C@@H]1C[C@@H](Nc2c(Cl)cccc2-c2nn[n-]n2)CCO1 ZINC000824079000 608149250 /nfs/dbraw/zinc/14/92/50/608149250.db2.gz MAWJAMIGVGXBGE-GWCFXTLKSA-N -1 3 335.839 3.526 20 0 EHADHM CCC[C@@H](C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1)C(C)C ZINC000825225726 608159604 /nfs/dbraw/zinc/15/96/04/608159604.db2.gz WVXRLNKOJDKDJK-GFCCVEGCSA-N -1 3 335.839 3.555 20 0 EHADHM CCC[C@@H](C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1)C(C)C ZINC000825225726 608159606 /nfs/dbraw/zinc/15/96/06/608159606.db2.gz WVXRLNKOJDKDJK-GFCCVEGCSA-N -1 3 335.839 3.555 20 0 EHADHM C[C@@H](OC(=O)[C@@H](c1ccccc1)C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824712563 608247995 /nfs/dbraw/zinc/24/79/95/608247995.db2.gz BALONXRFPPHMLY-ACJLOTCBSA-N -1 3 348.406 3.665 20 0 EHADHM C[C@@H](OC(=O)[C@@H](c1ccccc1)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824712563 608247997 /nfs/dbraw/zinc/24/79/97/608247997.db2.gz BALONXRFPPHMLY-ACJLOTCBSA-N -1 3 348.406 3.665 20 0 EHADHM C[C@H](NCc1ccc(F)c(-c2nnn[n-]2)c1)c1c(F)cccc1Cl ZINC000824612949 608552851 /nfs/dbraw/zinc/55/28/51/608552851.db2.gz QBQTXNSXVKPJCM-VIFPVBQESA-N -1 3 349.772 3.649 20 0 EHADHM C[C@H](NCc1ccc(F)c(-c2nn[n-]n2)c1)c1c(F)cccc1Cl ZINC000824612949 608552853 /nfs/dbraw/zinc/55/28/53/608552853.db2.gz QBQTXNSXVKPJCM-VIFPVBQESA-N -1 3 349.772 3.649 20 0 EHADHM C[C@@H](Nc1ccc(OC(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824656535 609160668 /nfs/dbraw/zinc/16/06/68/609160668.db2.gz LJQJNKXYTHRAIR-SNVBAGLBSA-N -1 3 349.316 3.938 20 0 EHADHM C[C@@H](Nc1ccc(OC(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824656535 609160669 /nfs/dbraw/zinc/16/06/69/609160669.db2.gz LJQJNKXYTHRAIR-SNVBAGLBSA-N -1 3 349.316 3.938 20 0 EHADHM C[C@@H]1CCN(c2ccc(F)cc2-c2nnn[n-]2)[C@H](c2ccco2)C1 ZINC000824961413 609164533 /nfs/dbraw/zinc/16/45/33/609164533.db2.gz CLJMVXTZIHGHDN-ABAIWWIYSA-N -1 3 327.363 3.576 20 0 EHADHM C[C@@H]1CCN(c2ccc(F)cc2-c2nn[n-]n2)[C@H](c2ccco2)C1 ZINC000824961413 609164534 /nfs/dbraw/zinc/16/45/34/609164534.db2.gz CLJMVXTZIHGHDN-ABAIWWIYSA-N -1 3 327.363 3.576 20 0 EHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1cccc(Cl)c1 ZINC000825480991 609177682 /nfs/dbraw/zinc/17/76/82/609177682.db2.gz PUQMOPUKPFFYRL-UHFFFAOYSA-N -1 3 328.807 3.564 20 0 EHADHM CCOc1cccc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000825649774 609199357 /nfs/dbraw/zinc/19/93/57/609199357.db2.gz XNNCSQGEFAOUNI-UHFFFAOYSA-N -1 3 329.791 3.531 20 0 EHADHM CCOc1cccc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000825649774 609199358 /nfs/dbraw/zinc/19/93/58/609199358.db2.gz XNNCSQGEFAOUNI-UHFFFAOYSA-N -1 3 329.791 3.531 20 0 EHADHM CC(C)Oc1ccc(F)cc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000824324855 609477745 /nfs/dbraw/zinc/47/77/45/609477745.db2.gz WVRJONDAZJIOFW-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM CC(C)Oc1ccc(F)cc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000824324855 609477746 /nfs/dbraw/zinc/47/77/46/609477746.db2.gz WVRJONDAZJIOFW-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM Cc1c(NC(=O)c2ccc(-c3ccccc3)o2)cccc1-c1nnn[n-]1 ZINC000826242135 609508132 /nfs/dbraw/zinc/50/81/32/609508132.db2.gz BISHRIAKYBFBJR-UHFFFAOYSA-N -1 3 345.362 3.687 20 0 EHADHM Cc1c(NC(=O)c2ccc(-c3ccccc3)o2)cccc1-c1nn[n-]n1 ZINC000826242135 609508133 /nfs/dbraw/zinc/50/81/33/609508133.db2.gz BISHRIAKYBFBJR-UHFFFAOYSA-N -1 3 345.362 3.687 20 0 EHADHM Cc1cc(CCCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(C)s1 ZINC000439816633 944632876 /nfs/dbraw/zinc/63/28/76/944632876.db2.gz HVKVUEHJJGINGG-UHFFFAOYSA-N -1 3 341.440 3.506 20 0 EHADHM Cc1cc(CCCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c(C)s1 ZINC000439816633 944632885 /nfs/dbraw/zinc/63/28/85/944632885.db2.gz HVKVUEHJJGINGG-UHFFFAOYSA-N -1 3 341.440 3.506 20 0 EHADHM CC(C)[C@@H](C)C(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735701216 944691338 /nfs/dbraw/zinc/69/13/38/944691338.db2.gz KKROOLULNANDOB-CYBMUJFWSA-N -1 3 336.395 3.731 20 0 EHADHM CC(C)[C@@H](C)C(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735701216 944691344 /nfs/dbraw/zinc/69/13/44/944691344.db2.gz KKROOLULNANDOB-CYBMUJFWSA-N -1 3 336.395 3.731 20 0 EHADHM CCSCCSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000736668060 944866627 /nfs/dbraw/zinc/86/66/27/944866627.db2.gz WZXSWCXIHCDFRR-UHFFFAOYSA-N -1 3 343.481 3.774 20 0 EHADHM CCSCCSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000736668060 944866632 /nfs/dbraw/zinc/86/66/32/944866632.db2.gz WZXSWCXIHCDFRR-UHFFFAOYSA-N -1 3 343.481 3.774 20 0 EHADHM Brc1ccc(-c2nnn[n-]2)c(OCCCC2CCC2)c1 ZINC001573280995 946670402 /nfs/dbraw/zinc/67/04/02/946670402.db2.gz XGIHRQDFYDBWPC-UHFFFAOYSA-N -1 3 337.221 3.588 20 0 EHADHM Brc1ccc(-c2nn[n-]n2)c(OCCCC2CCC2)c1 ZINC001573280995 946670410 /nfs/dbraw/zinc/67/04/10/946670410.db2.gz XGIHRQDFYDBWPC-UHFFFAOYSA-N -1 3 337.221 3.588 20 0 EHADHM Brc1ccc(-c2nnn[n-]2)c(Sc2ccccc2)c1 ZINC001573281113 946672995 /nfs/dbraw/zinc/67/29/95/946672995.db2.gz ZSLFZLCQPTUUCE-UHFFFAOYSA-N -1 3 333.214 3.780 20 0 EHADHM Brc1ccc(-c2nn[n-]n2)c(Sc2ccccc2)c1 ZINC001573281113 946673006 /nfs/dbraw/zinc/67/30/06/946673006.db2.gz ZSLFZLCQPTUUCE-UHFFFAOYSA-N -1 3 333.214 3.780 20 0 EHADHM Cc1c(C(=O)[O-])cc(CN[C@@H](C)c2cccc(OC(C)C)c2)n1C ZINC000326446846 971293928 /nfs/dbraw/zinc/29/39/28/971293928.db2.gz XUONLWITLZUVDU-ZDUSSCGKSA-N -1 3 330.428 3.670 20 0 EHADHM O=C([O-])[C@H]1c2ccccc2CCN1Cc1ccc(F)c2cccnc12 ZINC000326503137 971299168 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EHADHM Cc1c(NC(=O)[C@@H](C)CCCc2ccccc2)cccc1-c1nn[n-]n1 ZINC000826240682 947714746 /nfs/dbraw/zinc/71/47/46/947714746.db2.gz DJXGGMJCHUMNDS-AWEZNQCLSA-N -1 3 349.438 3.773 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H](C)c2ccccc2C(F)(F)F)n1 ZINC000826274803 947793793 /nfs/dbraw/zinc/79/37/93/947793793.db2.gz FSURSGNUUJQNPM-SNVBAGLBSA-N -1 3 348.332 3.762 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H](C)c2ccccc2C(F)(F)F)n1 ZINC000826274803 947793797 /nfs/dbraw/zinc/79/37/97/947793797.db2.gz FSURSGNUUJQNPM-SNVBAGLBSA-N -1 3 348.332 3.762 20 0 EHADHM CC(C)(C)c1cccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001460803851 948528296 /nfs/dbraw/zinc/52/82/96/948528296.db2.gz YJHMVZXDLLYTFP-UHFFFAOYSA-N -1 3 339.374 3.556 20 0 EHADHM CC(C)(C)c1cccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001460803851 948528301 /nfs/dbraw/zinc/52/83/01/948528301.db2.gz YJHMVZXDLLYTFP-UHFFFAOYSA-N -1 3 339.374 3.556 20 0 EHADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2cccc(Br)c2)C1 ZINC000062877594 948964132 /nfs/dbraw/zinc/96/41/32/948964132.db2.gz 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/nfs/dbraw/zinc/25/55/14/1021255514.db2.gz IPIJTOGYDPFOLK-UHFFFAOYSA-N -1 3 338.407 3.642 20 0 EHADHM CCc1ccc(C(=O)N2CCC[C@H]2Cn2cnc3ccccc32)c([O-])c1 ZINC000436830971 1021262983 /nfs/dbraw/zinc/26/29/83/1021262983.db2.gz OTLRQJNYUKBGAV-INIZCTEOSA-N -1 3 349.434 3.609 20 0 EHADHM CC(=O)c1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1[O-] ZINC000436856254 1021280471 /nfs/dbraw/zinc/28/04/71/1021280471.db2.gz LWNSCDYZCHFYSF-UHFFFAOYSA-N -1 3 337.297 3.544 20 0 EHADHM Cc1cc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2cccc(F)c2)sc1Cl ZINC000473857714 1021291834 /nfs/dbraw/zinc/29/18/34/1021291834.db2.gz ZBJQBLVDNHLXAU-NEPJUHHUSA-N -1 3 345.848 3.683 20 0 EHADHM CC(C)(C)c1nc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cs1 ZINC000656767020 1021299218 /nfs/dbraw/zinc/29/92/18/1021299218.db2.gz UITFSJXFBDANMG-KKUMJFAQSA-N -1 3 336.501 3.906 20 0 EHADHM COc1ccc(C(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)c([O-])c1 ZINC000436867972 1021305424 /nfs/dbraw/zinc/30/54/24/1021305424.db2.gz GQSPMRNDZXTUPY-AWEZNQCLSA-N -1 3 348.402 3.954 20 0 EHADHM O=C(Nc1cccc(-c2noc(-c3ccccc3[O-])n2)c1)c1ccco1 ZINC000436891754 1021347363 /nfs/dbraw/zinc/34/73/63/1021347363.db2.gz HHOAQTNBLGLOPK-UHFFFAOYSA-N -1 3 347.330 3.955 20 0 EHADHM CCc1ccc(C(=O)N[C@H](C)c2ccc(Br)cn2)c([O-])c1 ZINC000436904130 1021349660 /nfs/dbraw/zinc/34/96/60/1021349660.db2.gz VOVIOIVRDZTDQG-SNVBAGLBSA-N -1 3 349.228 3.603 20 0 EHADHM COCCOc1ccc(-c2noc(-c3ccc(C)cc3[O-])n2)cc1F ZINC000436941373 1021402371 /nfs/dbraw/zinc/40/23/71/1021402371.db2.gz PNNBIOMKXQBRMQ-UHFFFAOYSA-N -1 3 344.342 3.582 20 0 EHADHM CCC[C@@H](NC(=O)c1ccccc1)c1noc(-c2ccccc2[O-])n1 ZINC000436941920 1021403808 /nfs/dbraw/zinc/40/38/08/1021403808.db2.gz GUJXCLLFQRYNKV-OAHLLOKOSA-N -1 3 337.379 3.713 20 0 EHADHM O=c1[n-]c(CN2CC[C@H]3CC[C@@H](C2)S3)nc2c3ccccc3oc21 ZINC000625775830 1021411534 /nfs/dbraw/zinc/41/15/34/1021411534.db2.gz RNWQNMVTCFBZHR-NEPJUHHUSA-N -1 3 341.436 3.552 20 0 EHADHM CCOc1cc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)ccc1O ZINC000436968080 1021415052 /nfs/dbraw/zinc/41/50/52/1021415052.db2.gz SCNDTAKETKSSAK-LGMDPLHJSA-N -1 3 348.402 3.658 20 0 EHADHM CCN(CC(F)F)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436990429 1021443670 /nfs/dbraw/zinc/44/36/70/1021443670.db2.gz RTJKWHLSEIXPGO-UHFFFAOYSA-N -1 3 333.378 3.905 20 0 EHADHM CCN(C(=O)c1cc([O-])c2ccccc2c1)[C@H]1CCOC(C)(C)C1 ZINC000292869842 1021622722 /nfs/dbraw/zinc/62/27/22/1021622722.db2.gz ZKFCSZHDTKVKCL-INIZCTEOSA-N -1 3 327.424 3.965 20 0 EHADHM O=C(Nc1ccccc1-c1cn[nH]c1)c1cc2c(cc1[O-])CCCC2 ZINC000439750939 1021693559 /nfs/dbraw/zinc/69/35/59/1021693559.db2.gz KHAUXZGKMQKRPB-UHFFFAOYSA-N -1 3 333.391 3.913 20 0 EHADHM O=S(=O)([N-][C@H]1CCC[C@H]1c1ccccc1)c1ccc(F)cc1F ZINC000518968778 1021723147 /nfs/dbraw/zinc/72/31/47/1021723147.db2.gz WGVGLOBUENLDNF-HOCLYGCPSA-N -1 3 337.391 3.579 20 0 EHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@]3(C)C[C@H]4C[C@H]4C3)c2)n1 ZINC000559074200 1021724644 /nfs/dbraw/zinc/72/46/44/1021724644.db2.gz CWWCHEHUCYXBMW-VTEUUUEMSA-N -1 3 337.423 3.786 20 0 EHADHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1 ZINC000520037534 1021888432 /nfs/dbraw/zinc/88/84/32/1021888432.db2.gz HOYPFQPWSVOHJV-UHFFFAOYSA-N -1 3 325.380 3.964 20 0 EHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c(F)cc1F ZINC000440289801 1022068840 /nfs/dbraw/zinc/06/88/40/1022068840.db2.gz DBYMCKYBUHSJJH-UHFFFAOYSA-N -1 3 335.734 3.867 20 0 EHADHM CC[C@@H](CNCc1csc(COc2ccc(C)cc2)n1)CC(=O)[O-] ZINC000426632785 1022096175 /nfs/dbraw/zinc/09/61/75/1022096175.db2.gz ZVLJEDPMECNPGH-CQSZACIVSA-N -1 3 348.468 3.621 20 0 EHADHM O=C([O-])[C@@H](CCNCc1c(F)cccc1Cl)Cc1ccccc1 ZINC000426640705 1022124229 /nfs/dbraw/zinc/12/42/29/1022124229.db2.gz UGMPGSIQTLUNQM-AWEZNQCLSA-N -1 3 335.806 3.902 20 0 EHADHM C[C@@H](c1ccc(Cl)cc1)[S@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000520366595 1022168939 /nfs/dbraw/zinc/16/89/39/1022168939.db2.gz CPBDSYDAJSGCEP-MLMJSJRWSA-N -1 3 336.844 3.723 20 0 EHADHM CCC1(CC)[C@H](NC(=O)c2cc([O-])ccc2Cl)[C@H](C)[C@H]1OC ZINC000517267390 1022199719 /nfs/dbraw/zinc/19/97/19/1022199719.db2.gz QAMKNWCYXBMSDD-COLVAYQJSA-N -1 3 325.836 3.615 20 0 EHADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCc3ccccc32)sc1Cl ZINC000473908578 1022262841 /nfs/dbraw/zinc/26/28/41/1022262841.db2.gz GEKSDTQBKAHRSO-LBPRGKRZSA-N -1 3 327.858 3.676 20 0 EHADHM CC(C)=CCSc1ccccc1C(=O)NCc1ncccc1[O-] ZINC000473629567 1022278994 /nfs/dbraw/zinc/27/89/94/1022278994.db2.gz NKGWPYOAWKMLDJ-UHFFFAOYSA-N -1 3 328.437 3.776 20 0 EHADHM Cc1ccc(C(=O)N2C[C@H](c3ccccc3Cl)OC[C@H]2C)c([O-])c1 ZINC000110517876 1022279740 /nfs/dbraw/zinc/27/97/40/1022279740.db2.gz MIEKNTINJAPKKK-FZKQIMNGSA-N -1 3 345.826 3.956 20 0 EHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000517754850 1022628541 /nfs/dbraw/zinc/62/85/41/1022628541.db2.gz NQQRITPSIONAPB-CTYIDZIISA-N -1 3 348.805 3.930 20 0 EHADHM CC(C)(C)c1nc2ccc([N-]S(=O)(=O)c3ccsc3)cc2[nH]1 ZINC000506852421 1022634447 /nfs/dbraw/zinc/63/44/47/1022634447.db2.gz WQPYVJFVPZHUJQ-UHFFFAOYSA-N -1 3 335.454 3.723 20 0 EHADHM CC(=O)N(c1ccc(NCc2ccc([O-])c(F)c2)cc1)[C@@H]1C[C@@H]1C ZINC000894644212 1022659481 /nfs/dbraw/zinc/65/94/81/1022659481.db2.gz BBSGNDJYSIDWQE-KPZWWZAWSA-N -1 3 328.387 3.905 20 0 EHADHM CCC[C@@H]1C[C@@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CCO1 ZINC000330785695 1022685691 /nfs/dbraw/zinc/68/56/91/1022685691.db2.gz UNAISHLVMXYURM-CMPLNLGQSA-N -1 3 331.334 3.945 20 0 EHADHM [O-]c1ccccc1-c1nc(Cc2ccc(Br)cc2)no1 ZINC000111687575 1022704479 /nfs/dbraw/zinc/70/44/79/1022704479.db2.gz HWAYDIVSLCVZHG-UHFFFAOYSA-N -1 3 331.169 3.796 20 0 EHADHM CC1(C)C(=O)Nc2cc(C(=O)Nc3cc(Cl)ccc3[O-])ccc21 ZINC000146438903 1033076592 /nfs/dbraw/zinc/07/65/92/1033076592.db2.gz JIWAQCGJQVOXRB-UHFFFAOYSA-N -1 3 330.771 3.528 20 0 EHADHM CC(=O)c1ccc(C(=O)N2CC[C@@H](c3cc(C)cc(C)c3)C2)cc1[O-] ZINC000331346061 1022798070 /nfs/dbraw/zinc/79/80/70/1022798070.db2.gz LVKBBPOKUHRLMH-QGZVFWFLSA-N -1 3 337.419 3.841 20 0 EHADHM Cc1nc(-c2ccccc2)sc1C(=O)Nc1nc(C)ccc1[O-] ZINC000345988133 1022933021 /nfs/dbraw/zinc/93/30/21/1022933021.db2.gz OTDCHFWMFLLWDP-UHFFFAOYSA-N -1 3 325.393 3.780 20 0 EHADHM CC(C)[C@@H](CC1CCCCC1)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473846996 1022952714 /nfs/dbraw/zinc/95/27/14/1022952714.db2.gz LAHNIDGXZIPWFJ-WBVHZDCISA-N -1 3 333.476 3.864 20 0 EHADHM O=C(NCc1ncccc1[O-])N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000458978676 1022967550 /nfs/dbraw/zinc/96/75/50/1022967550.db2.gz DEDFZFXFPKRBGZ-MRXNPFEDSA-N -1 3 349.793 3.530 20 0 EHADHM O=C([O-])C[C@@H](CNCc1c(F)cccc1F)c1ccc(Cl)cc1 ZINC000426704551 1022975978 /nfs/dbraw/zinc/97/59/78/1022975978.db2.gz KZGMRYGUUMFRID-LBPRGKRZSA-N -1 3 339.769 3.966 20 0 EHADHM COc1ccc([C@H](CCC(=O)[O-])NCc2cc(F)cc(F)c2)cc1 ZINC000426723651 1022990079 /nfs/dbraw/zinc/99/00/79/1022990079.db2.gz ZQMXXHAKVVUWNV-KRWDZBQOSA-N -1 3 335.350 3.669 20 0 EHADHM Cc1ccc(C(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)c([O-])c1 ZINC000518084320 1022990760 /nfs/dbraw/zinc/99/07/60/1022990760.db2.gz DZRLMDOWJJCMAZ-HUUCEWRRSA-N -1 3 346.224 3.749 20 0 EHADHM Cc1ccc([C@@H](NCc2cccc3c2OC(C)(C)C3)C(=O)[O-])cc1 ZINC000426706372 1022992145 /nfs/dbraw/zinc/99/21/45/1022992145.db2.gz SFEFPVCURLCRPO-QGZVFWFLSA-N -1 3 325.408 3.624 20 0 EHADHM CCOc1cccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)c1 ZINC000426780041 1023041375 /nfs/dbraw/zinc/04/13/75/1023041375.db2.gz NSUMCJLFASDBFE-KRWDZBQOSA-N -1 3 333.815 3.963 20 0 EHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccccc1Oc1ccccc1 ZINC000473853072 1023153283 /nfs/dbraw/zinc/15/32/83/1023153283.db2.gz VPDKZAIFPLWSHS-SFHVURJKSA-N -1 3 349.390 3.728 20 0 EHADHM CCc1ccc(-c2nc([C@H](OC)c3cccc(OC)c3)no2)c([O-])c1 ZINC000665067291 1023161169 /nfs/dbraw/zinc/16/11/69/1023161169.db2.gz SWZISDGCAUKNNZ-QGZVFWFLSA-N -1 3 340.379 3.749 20 0 EHADHM O=C(NCc1ccc([O-])c(F)c1)c1c[nH]cc1-c1ccccc1F ZINC000427060610 1023192678 /nfs/dbraw/zinc/19/26/78/1023192678.db2.gz HBGKDJXSKRGKHR-UHFFFAOYSA-N -1 3 328.318 3.596 20 0 EHADHM CCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000190360773 1023195184 /nfs/dbraw/zinc/19/51/84/1023195184.db2.gz BGZLBXKUQMFQET-AUUYWEPGSA-N -1 3 325.408 3.557 20 0 EHADHM CCN(Cc1ccc(OC)cc1OC)Cc1c(F)ccc([O-])c1F ZINC000507329761 1023252793 /nfs/dbraw/zinc/25/27/93/1023252793.db2.gz NPYHNAWEJHXTJX-UHFFFAOYSA-N -1 3 337.366 3.710 20 0 EHADHM O=C(/C=C\c1ccc(O)cc1)Nc1cc(Br)ccc1[O-] ZINC000588466225 1023350234 /nfs/dbraw/zinc/35/02/34/1023350234.db2.gz AHPKEQDGHVCICE-BAQGIRSFSA-N -1 3 334.169 3.512 20 0 EHADHM Cc1nc(-c2cccc(NC(=O)c3c([O-])cccc3O)c2)cs1 ZINC000092106440 1023354415 /nfs/dbraw/zinc/35/44/15/1023354415.db2.gz QUBNFQMQSXVAFP-UHFFFAOYSA-N -1 3 326.377 3.782 20 0 EHADHM COc1c(C)cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1C ZINC000431180619 1023390839 /nfs/dbraw/zinc/39/08/39/1023390839.db2.gz HPWRMZLIMGLTLF-UHFFFAOYSA-N -1 3 345.342 3.530 20 0 EHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1Cl ZINC000431184889 1023432116 /nfs/dbraw/zinc/43/21/16/1023432116.db2.gz VXDIEPDSMFTKSK-UHFFFAOYSA-N -1 3 335.734 3.867 20 0 EHADHM COc1cc(C(=O)N2CC3(CCCCC3)[C@@H]2C(C)C)cc(OC)c1[O-] ZINC000458184750 1023620099 /nfs/dbraw/zinc/62/00/99/1023620099.db2.gz JQLQZIXBKPJFLK-SFHVURJKSA-N -1 3 347.455 3.840 20 0 EHADHM S=c1[n-]nc(Cc2cccs2)n1CN1C[C@H]2CCCC[C@@H]2C1 ZINC000176192208 1023858281 /nfs/dbraw/zinc/85/82/81/1023858281.db2.gz OZJHNFJPJXSSTM-CHWSQXEVSA-N -1 3 334.514 3.672 20 0 EHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1C[C@@H]2C[C@H]1CS2 ZINC000458335167 1023959695 /nfs/dbraw/zinc/95/96/95/1023959695.db2.gz PQCXMVMFFLXUIE-IRXDYDNUSA-N -1 3 339.460 3.507 20 0 EHADHM COc1ccc([C@H](CCC(=O)[O-])NCc2cnc(C(C)C)s2)cc1 ZINC000417568427 1024073091 /nfs/dbraw/zinc/07/30/91/1024073091.db2.gz BMCKRYVJLWAHAN-INIZCTEOSA-N -1 3 348.468 3.971 20 0 EHADHM C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)cn1 ZINC000187734224 1033186887 /nfs/dbraw/zinc/18/68/87/1033186887.db2.gz UJHBMTCUNNIVNA-ZDUSSCGKSA-N -1 3 343.452 3.583 20 0 EHADHM CO[C@H](C)c1nc(C)c(C(=O)[N-]c2ncn(C3CCCCC3)n2)s1 ZINC000182684882 1024120441 /nfs/dbraw/zinc/12/04/41/1024120441.db2.gz RNNMCGVFWMTLHT-LLVKDONJSA-N -1 3 349.460 3.508 20 0 EHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3ccc(C)c(C)c3)cc2)n1 ZINC000522261661 1024121101 /nfs/dbraw/zinc/12/11/01/1024121101.db2.gz GTSZHLDPTGTSOL-UHFFFAOYSA-N -1 3 347.418 3.543 20 0 EHADHM CC(C)(C)CN(CC(=O)[O-])Cc1c(Cl)cccc1OC(F)F ZINC000665350320 1024145939 /nfs/dbraw/zinc/14/59/39/1024145939.db2.gz MDJLIHSYVVIBLJ-UHFFFAOYSA-N -1 3 335.778 3.874 20 0 EHADHM CCc1ccc([O-])c(C(=O)N(C)[C@H]2CCCc3nc(C)sc32)c1 ZINC000094130504 1024163892 /nfs/dbraw/zinc/16/38/92/1024163892.db2.gz UOYXFWKEORVWRP-HNNXBMFYSA-N -1 3 330.453 3.869 20 0 EHADHM O=C([O-])[C@@H]1C[C@H](NCc2ccccc2OCC2CC2)c2ccccc21 ZINC000417632940 1024205430 /nfs/dbraw/zinc/20/54/30/1024205430.db2.gz TYEITDOZPTZGIC-MOPGFXCFSA-N -1 3 337.419 3.878 20 0 EHADHM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000434626333 1024225399 /nfs/dbraw/zinc/22/53/99/1024225399.db2.gz HVODNUUFMSNJFA-UHFFFAOYSA-N -1 3 345.342 3.530 20 0 EHADHM COCc1cccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)c1 ZINC000277240859 1024289998 /nfs/dbraw/zinc/28/99/98/1024289998.db2.gz JGOGBBTZIXIERG-KRWDZBQOSA-N -1 3 333.815 3.710 20 0 EHADHM CC(C)C[C@H]1C[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)CCO1 ZINC000469798280 1024470088 /nfs/dbraw/zinc/47/00/88/1024470088.db2.gz MHPCJPDKAMMQNF-CVEARBPZSA-N -1 3 337.435 3.564 20 0 EHADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)[C@H](C)c1ccccc1 ZINC000474214393 1024583483 /nfs/dbraw/zinc/58/34/83/1024583483.db2.gz KKNKWMGOBOVBIE-WDEREUQCSA-N -1 3 343.370 3.574 20 0 EHADHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(OC)c(Cl)c2)c1 ZINC000277342194 1024702614 /nfs/dbraw/zinc/70/26/14/1024702614.db2.gz OXOKEJILOYAZQC-INIZCTEOSA-N -1 3 349.814 3.663 20 0 EHADHM Cc1nc(SCc2cc(=O)[n-]c(C3CC3)n2)n(CC(C)C)c1C ZINC000514781294 1024749285 /nfs/dbraw/zinc/74/92/85/1024749285.db2.gz HSQYJDGSKQJNHM-UHFFFAOYSA-N -1 3 332.473 3.821 20 0 EHADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc([O-])c(F)c1 ZINC000427950023 1024901236 /nfs/dbraw/zinc/90/12/36/1024901236.db2.gz LGDGQRZUCTWDIG-QIIPPGSGSA-N -1 3 337.435 3.625 20 0 EHADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1c[nH]cc1-c1ccc(F)cc1 ZINC000435674226 1025078507 /nfs/dbraw/zinc/07/85/07/1025078507.db2.gz FOOLYRFASGOBLK-UHFFFAOYSA-N -1 3 346.365 3.885 20 0 EHADHM CCc1ccc(C(=O)N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000191826378 1025139777 /nfs/dbraw/zinc/13/97/77/1025139777.db2.gz BOFZJOKINYARRE-ORAYPTAESA-N -1 3 343.398 3.696 20 0 EHADHM CCCN(Cc1ccccc1Br)Cc1ncccc1[O-] ZINC000515332189 1025174058 /nfs/dbraw/zinc/17/40/58/1025174058.db2.gz TVWFVAJBLOFMBV-UHFFFAOYSA-N -1 3 335.245 3.962 20 0 EHADHM [O-]c1coc2cc(OCc3ccc(Br)s3)ccc12 ZINC000057523990 1025223547 /nfs/dbraw/zinc/22/35/47/1025223547.db2.gz RIWNXKJIBDHJRD-UHFFFAOYSA-N -1 3 325.183 3.665 20 0 EHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1cc(Cl)ccc1Cl ZINC000346961284 1025334979 /nfs/dbraw/zinc/33/49/79/1025334979.db2.gz FXQDACVEVKJDFX-SSDOTTSWSA-N -1 3 349.239 3.638 20 0 EHADHM Cc1nc(-c2ccc(NC[C@@H]3C(C)(C)C3(F)F)nc2)[n-]c(=O)c1C ZINC000664523598 1025381436 /nfs/dbraw/zinc/38/14/36/1025381436.db2.gz IZORDFHINZXGOL-GFCCVEGCSA-N -1 3 334.370 3.564 20 0 EHADHM CCCN(C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)C(C)C ZINC000521456824 1025392773 /nfs/dbraw/zinc/39/27/73/1025392773.db2.gz GVVLCSGQRSOSOI-UHFFFAOYSA-N -1 3 328.416 3.810 20 0 EHADHM COc1ccc(S(=O)(=O)[N-]c2cc3[nH]ccc3cc2C)c(C)c1 ZINC000436160092 1025425775 /nfs/dbraw/zinc/42/57/75/1025425775.db2.gz HPOLZCXUTHNTDX-UHFFFAOYSA-N -1 3 330.409 3.594 20 0 EHADHM Cc1nc(C)c(CCC(=O)NCC[C@H]2C[C@H](C)CC(C)(C)C2)c(=O)[n-]1 ZINC000436238428 1025504187 /nfs/dbraw/zinc/50/41/87/1025504187.db2.gz KNPIYXCOKKJUQR-BBRMVZONSA-N -1 3 347.503 3.700 20 0 EHADHM O=C([N-]c1nc(-c2ccccc2)ns1)c1cc(F)c(F)c(F)c1 ZINC000102992685 1025554057 /nfs/dbraw/zinc/55/40/57/1025554057.db2.gz SEMBKTACGLFBIS-UHFFFAOYSA-N -1 3 335.310 3.875 20 0 EHADHM CSc1ccccc1[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000443099667 1025730708 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CC(C)c1ccc(C(=O)N2CCOC[C@@H]2c2ccccc2)c([O-])c1 ZINC000436574853 1025907940 /nfs/dbraw/zinc/90/79/40/1025907940.db2.gz MUYJMNXKLITZGQ-GOSISDBHSA-N -1 3 325.408 3.729 20 0 EHADHM COc1ccc(C(=O)N(C)[C@@H](Cc2ccc(F)cc2)C(C)C)c([O-])c1 ZINC000436578073 1025920189 /nfs/dbraw/zinc/92/01/89/1025920189.db2.gz VUNXCADVZAOUQF-SFHVURJKSA-N -1 3 345.414 3.879 20 0 EHADHM COc1ccc(C(=O)N2CCC(=Cc3ccccc3F)CC2)c([O-])c1 ZINC000436584027 1025924168 /nfs/dbraw/zinc/92/41/68/1025924168.db2.gz GFONBVZJFWVEMI-UHFFFAOYSA-N -1 3 341.382 3.860 20 0 EHADHM CCOc1ccc2c(c1)CCN(C(=O)c1cc(CC)ccc1[O-])C2 ZINC000436600344 1025931817 /nfs/dbraw/zinc/93/18/17/1025931817.db2.gz GVMABKAMPHLGOS-UHFFFAOYSA-N -1 3 325.408 3.552 20 0 EHADHM Cc1cc(C[C@@H](C)NC(=O)c2ccc(C)cc2[O-])n(-c2ccccc2)n1 ZINC000436605481 1025938196 /nfs/dbraw/zinc/93/81/96/1025938196.db2.gz PMIDGEBPTZAGAI-OAHLLOKOSA-N -1 3 349.434 3.556 20 0 EHADHM CC1(C)Cc2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2O1 ZINC000443402979 1025999898 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CCCCOc1ccc(C(=O)NC2CC(C(F)(F)F)C2)c([O-])c1 ZINC000436734483 1026098103 /nfs/dbraw/zinc/09/81/03/1026098103.db2.gz ACEXSYLJFCCYSH-UHFFFAOYSA-N -1 3 331.334 3.642 20 0 EHADHM O=C(NC1(c2cccc(C(F)(F)F)c2)CC1)c1ccc(O)cc1[O-] ZINC000436746161 1026114892 /nfs/dbraw/zinc/11/48/92/1026114892.db2.gz GAFYFIAVPYWSEL-UHFFFAOYSA-N -1 3 337.297 3.536 20 0 EHADHM O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccccc1[O-] ZINC000436729869 1026120063 /nfs/dbraw/zinc/12/00/63/1026120063.db2.gz TZVNJFFVBGVUCW-CYBMUJFWSA-N -1 3 327.277 3.955 20 0 EHADHM Cc1ccc(C(=O)N2CCCN(c3ccccc3Cl)CC2)c([O-])c1 ZINC000436733966 1026124940 /nfs/dbraw/zinc/12/49/40/1026124940.db2.gz ZYRZTUSMXNOJBX-UHFFFAOYSA-N -1 3 344.842 3.707 20 0 EHADHM CC(=O)Nc1cc(NC(=O)c2cc3c(cc2[O-])CCCC3)ccc1F ZINC000436757252 1026128115 /nfs/dbraw/zinc/12/81/15/1026128115.db2.gz URZHPGJIOHMOLZ-UHFFFAOYSA-N -1 3 342.370 3.621 20 0 EHADHM CCN(Cc1ccccc1Br)C(=O)c1ccccc1[O-] ZINC000436761153 1026130899 /nfs/dbraw/zinc/13/08/99/1026130899.db2.gz WQFQLGKUPCLWGC-UHFFFAOYSA-N -1 3 334.213 3.817 20 0 EHADHM CCOc1ccc([C@@H](C)NC(=O)c2ccc(C)cc2[O-])cc1OC ZINC000436760152 1026131104 /nfs/dbraw/zinc/13/11/04/1026131104.db2.gz MVCYEZXFKMVBQQ-CYBMUJFWSA-N -1 3 329.396 3.599 20 0 EHADHM CC(F)(F)CCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000451608290 1026140920 /nfs/dbraw/zinc/14/09/20/1026140920.db2.gz MWJOQTKRGWAMLO-UHFFFAOYSA-N -1 3 349.296 3.558 20 0 EHADHM O=S(=O)([N-]C[C@@H]1CCCC1(F)F)c1ccc(Cl)cc1Cl ZINC000451829276 1026312516 /nfs/dbraw/zinc/31/25/16/1026312516.db2.gz XMFRLEFWDLDBHB-QMMMGPOBSA-N -1 3 344.210 3.707 20 0 EHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CC34CCCC4)c2)n1 ZINC000530853229 1026352828 /nfs/dbraw/zinc/35/28/28/1026352828.db2.gz GYVIPJSCVFWUIR-MRXNPFEDSA-N -1 3 337.423 3.930 20 0 EHADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000530897366 1026383404 /nfs/dbraw/zinc/38/34/04/1026383404.db2.gz VBCVHLRRIHCXBD-UHFFFAOYSA-N -1 3 329.249 3.725 20 0 EHADHM [O-]c1ccc(Cc2nc([C@@H]3CCOC4(CCCC4)C3)no2)cc1F ZINC000897183322 1026460170 /nfs/dbraw/zinc/46/01/70/1026460170.db2.gz HXGZZNIWHNCJTP-CYBMUJFWSA-N -1 3 332.375 3.712 20 0 EHADHM COc1ccc([O-])c(-c2nc([C@@H]3CCOC4(CCCC4)C3)no2)c1 ZINC000897186729 1026467605 /nfs/dbraw/zinc/46/76/05/1026467605.db2.gz GWFNTSWUSKOSOL-GFCCVEGCSA-N -1 3 330.384 3.658 20 0 EHADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(F)c(F)c1F ZINC000531184327 1026655431 /nfs/dbraw/zinc/65/54/31/1026655431.db2.gz KQPZEEHVVABISX-UHFFFAOYSA-N -1 3 346.102 3.824 20 0 EHADHM O=C([O-])c1cnc2ccccc2c1N1CCC(c2nccs2)CC1 ZINC000582668833 1026899535 /nfs/dbraw/zinc/89/95/35/1026899535.db2.gz MTGCHXYXBKAOQV-UHFFFAOYSA-N -1 3 339.420 3.774 20 0 EHADHM CCS[C@@H]1CCC[C@H]1Nc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000301741088 1026921661 /nfs/dbraw/zinc/92/16/61/1026921661.db2.gz XWPMCJLJBIMUFV-HUUCEWRRSA-N -1 3 344.484 3.893 20 0 EHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CC(C)(C)OC3(C)C)nc2)n1 ZINC000302059981 1027038632 /nfs/dbraw/zinc/03/86/32/1027038632.db2.gz QWZRMKWSJUPCIT-AWEZNQCLSA-N -1 3 342.443 3.565 20 0 EHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCC[C@H]3CCCCO3)nc2)n1 ZINC000302224978 1027095729 /nfs/dbraw/zinc/09/57/29/1027095729.db2.gz OHQCJDRMKIVUOF-MRXNPFEDSA-N -1 3 342.443 3.568 20 0 EHADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@H]2CC23CCCC3)[nH][n-]1 ZINC000475480098 1027387872 /nfs/dbraw/zinc/38/78/72/1027387872.db2.gz IITOLNNHXAKGEY-CYBMUJFWSA-N -1 3 345.830 3.679 20 0 EHADHM COC(=O)c1sc([N-]C(=O)c2cc(-c3ccccc3)no2)cc1C ZINC000078048316 1027487702 /nfs/dbraw/zinc/48/77/02/1027487702.db2.gz DBEXEMWVEWPFSZ-UHFFFAOYSA-N -1 3 342.376 3.750 20 0 EHADHM O=C(c1ccc(O)cc1[O-])N1CC=C(c2ccccc2Cl)CC1 ZINC000129583278 1027577099 /nfs/dbraw/zinc/57/70/99/1027577099.db2.gz QSVUYAICYJOWRU-UHFFFAOYSA-N -1 3 329.783 3.681 20 0 EHADHM Cc1ncc(CN(C)Cc2cccc([O-])c2Br)s1 ZINC000459332319 1027676253 /nfs/dbraw/zinc/67/62/53/1027676253.db2.gz VNEXTIZFEMRRJI-UHFFFAOYSA-N -1 3 327.247 3.552 20 0 EHADHM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000106006519 1027684275 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Cc1onc(-c2ccccn2)c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000135142552 1028171603 /nfs/dbraw/zinc/17/16/03/1028171603.db2.gz OJLCXBRNQYRUON-UHFFFAOYSA-N -1 3 329.743 3.656 20 0 EHADHM CC[C@@H](C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1)c1ccccc1 ZINC000068225148 1028390206 /nfs/dbraw/zinc/39/02/06/1028390206.db2.gz GTIFXLNWJYBYDA-GOSISDBHSA-N -1 3 347.418 3.878 20 0 EHADHM COC(=O)c1c(Cl)cc(Cl)nc1Nc1ccc([O-])c(F)c1F ZINC001212000399 1028482791 /nfs/dbraw/zinc/48/27/91/1028482791.db2.gz YIIIWLKYNMZWTA-UHFFFAOYSA-N -1 3 349.120 3.902 20 0 EHADHM Cc1ccc([O-])c(CNCc2cc(Oc3ccc(F)cc3)ccn2)n1 ZINC000342981572 1028514157 /nfs/dbraw/zinc/51/41/57/1028514157.db2.gz TWZQVGXBSJLHBZ-UHFFFAOYSA-N -1 3 339.370 3.712 20 0 EHADHM Cc1ccc2c(c1)C(=O)N(C)[C@H](c1ccc([O-])c(Br)c1)N2 ZINC000153721597 1028657731 /nfs/dbraw/zinc/65/77/31/1028657731.db2.gz SKFZNFVQWXQTSM-OAHLLOKOSA-N -1 3 347.212 3.659 20 0 EHADHM O=S(=O)([N-]CC1=CCCCC1)c1cnc(-c2ccccc2)s1 ZINC001212014873 1028697282 /nfs/dbraw/zinc/69/72/82/1028697282.db2.gz 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O=C(Nc1ccc(Sc2ccccc2)c(Cl)c1)c1cn[n-]n1 ZINC000338104716 1138752418 /nfs/dbraw/zinc/75/24/18/1138752418.db2.gz OSQYYCPQNZPOSI-UHFFFAOYSA-N -1 3 330.800 3.862 20 0 EHADHM Cc1nc(C(F)(F)F)c(CO[N-]C(=O)Cc2ccc(C)cc2)s1 ZINC000184199478 1140087128 /nfs/dbraw/zinc/08/71/28/1140087128.db2.gz ZDZRITLPYSALIF-UHFFFAOYSA-N -1 3 344.358 3.569 20 0 EHADHM Cc1cc(C)c(C(=O)Nc2cc(F)ccc2[O-])c(OC2CCC2)n1 ZINC000350699892 1140441920 /nfs/dbraw/zinc/44/19/20/1140441920.db2.gz IEEFNJBBNIDFOU-UHFFFAOYSA-N -1 3 330.359 3.727 20 0 EHADHM CCC[C@@H]1CCc2nc(NC(=O)[N-]OCc3cccnc3)sc2C1 ZINC000194554410 1140614802 /nfs/dbraw/zinc/61/48/02/1140614802.db2.gz GQAFJCBEIVCXEU-GFCCVEGCSA-N -1 3 346.456 3.696 20 0 EHADHM CC(C)(C)c1nsc([N-]C(=O)c2ncccc2C(F)(F)F)n1 ZINC000271311919 1141343429 /nfs/dbraw/zinc/34/34/29/1141343429.db2.gz ZEXRMQKZADSTMJ-UHFFFAOYSA-N -1 3 330.335 3.502 20 0 EHADHM CC(C)(C)OC(=O)N1CCC[C@H](c2noc(-c3ccccc3[O-])n2)C1 ZINC000273845620 1141432036 /nfs/dbraw/zinc/43/20/36/1141432036.db2.gz 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Cc1cc(OC(C)C)ccc1Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737279159 598938725 /nfs/dbraw/zinc/93/87/25/598938725.db2.gz OAQFJZSPUIHTQN-UHFFFAOYSA-N -1 3 344.806 3.754 20 0 EHADHM Cc1cc(OC(C)C)ccc1Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737279159 598938727 /nfs/dbraw/zinc/93/87/27/598938727.db2.gz OAQFJZSPUIHTQN-UHFFFAOYSA-N -1 3 344.806 3.754 20 0 EHADHM CSCc1cccc(Nc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737187463 598943202 /nfs/dbraw/zinc/94/32/02/598943202.db2.gz RUBYPQBUFFLFNQ-UHFFFAOYSA-N -1 3 332.820 3.522 20 0 EHADHM CSCc1cccc(Nc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000737187463 598943203 /nfs/dbraw/zinc/94/32/03/598943203.db2.gz RUBYPQBUFFLFNQ-UHFFFAOYSA-N -1 3 332.820 3.522 20 0 EHADHM CC[C@H]1CCCC[C@@H]1Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736400137 599044292 /nfs/dbraw/zinc/04/42/92/599044292.db2.gz MEGIKTRCCFSXKT-ONGXEEELSA-N -1 3 340.353 3.661 20 0 EHADHM CC[C@H]1CCCC[C@@H]1Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736400137 599044295 /nfs/dbraw/zinc/04/42/95/599044295.db2.gz MEGIKTRCCFSXKT-ONGXEEELSA-N -1 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599111645 /nfs/dbraw/zinc/11/16/45/599111645.db2.gz WYGUHNXBFFJAGA-UHFFFAOYSA-N -1 3 335.392 3.814 20 0 EHADHM c1oc(-c2ccccc2)nc1CSc1ccccc1-c1nn[n-]n1 ZINC000738424184 599111649 /nfs/dbraw/zinc/11/16/49/599111649.db2.gz WYGUHNXBFFJAGA-UHFFFAOYSA-N -1 3 335.392 3.814 20 0 EHADHM O=C(CCC1CC1)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000737824405 599142986 /nfs/dbraw/zinc/14/29/86/599142986.db2.gz RGIKWEHNGUYZGI-UHFFFAOYSA-N -1 3 348.406 3.767 20 0 EHADHM O=C(CCC1CC1)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000737824405 599142990 /nfs/dbraw/zinc/14/29/90/599142990.db2.gz RGIKWEHNGUYZGI-UHFFFAOYSA-N -1 3 348.406 3.767 20 0 EHADHM Cc1nc(C)c(CSCc2cc(-c3nnn[n-]3)ccc2F)s1 ZINC000822431717 599226987 /nfs/dbraw/zinc/22/69/87/599226987.db2.gz HDXWZANEUVCFQA-UHFFFAOYSA-N -1 3 335.433 3.513 20 0 EHADHM Cc1nc(C)c(CSCc2cc(-c3nn[n-]n3)ccc2F)s1 ZINC000822431717 599226990 /nfs/dbraw/zinc/22/69/90/599226990.db2.gz HDXWZANEUVCFQA-UHFFFAOYSA-N -1 3 335.433 3.513 20 0 EHADHM Brc1ccccc1CSc1ccccc1-c1nnn[n-]1 ZINC000819688966 599234982 /nfs/dbraw/zinc/23/49/82/599234982.db2.gz RTZLGSGCCKEECE-UHFFFAOYSA-N -1 3 347.241 3.922 20 0 EHADHM Brc1ccccc1CSc1ccccc1-c1nn[n-]n1 ZINC000819688966 599234983 /nfs/dbraw/zinc/23/49/83/599234983.db2.gz RTZLGSGCCKEECE-UHFFFAOYSA-N -1 3 347.241 3.922 20 0 EHADHM Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1nnn[n-]1 ZINC000822109488 607270726 /nfs/dbraw/zinc/27/07/26/607270726.db2.gz RJKMRZFSBCVCGV-UHFFFAOYSA-N -1 3 335.411 3.725 20 0 EHADHM Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1nn[n-]n1 ZINC000822109488 607270727 /nfs/dbraw/zinc/27/07/27/607270727.db2.gz RJKMRZFSBCVCGV-UHFFFAOYSA-N -1 3 335.411 3.725 20 0 EHADHM CC[C@]1(C)CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820950162 599249791 /nfs/dbraw/zinc/24/97/91/599249791.db2.gz KDJFYIUGMIHUPU-MRXNPFEDSA-N -1 3 348.838 3.564 20 0 EHADHM CC[C@]1(C)CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820950162 599249793 /nfs/dbraw/zinc/24/97/93/599249793.db2.gz KDJFYIUGMIHUPU-MRXNPFEDSA-N -1 3 348.838 3.564 20 0 EHADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821014421 607288811 /nfs/dbraw/zinc/28/88/11/607288811.db2.gz GVKOSNXACNUCFZ-WBMJQRKESA-N -1 3 342.447 3.608 20 0 EHADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821014421 607288812 /nfs/dbraw/zinc/28/88/12/607288812.db2.gz GVKOSNXACNUCFZ-WBMJQRKESA-N -1 3 342.447 3.608 20 0 EHADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820863872 607289730 /nfs/dbraw/zinc/28/97/30/607289730.db2.gz VLJKFSNGARCWBH-MLGOLLRUSA-N -1 3 342.447 3.608 20 0 EHADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820863872 607289731 /nfs/dbraw/zinc/28/97/31/607289731.db2.gz VLJKFSNGARCWBH-MLGOLLRUSA-N -1 3 342.447 3.608 20 0 EHADHM c1sc(CNc2cccc(N3CCCCC3)c2)cc1-c1nnn[n-]1 ZINC000823757063 607310383 /nfs/dbraw/zinc/31/03/83/607310383.db2.gz KOPVOJCZVOMDGB-UHFFFAOYSA-N -1 3 340.456 3.531 20 0 EHADHM c1sc(CNc2cccc(N3CCCCC3)c2)cc1-c1nn[n-]n1 ZINC000823757063 607310384 /nfs/dbraw/zinc/31/03/84/607310384.db2.gz KOPVOJCZVOMDGB-UHFFFAOYSA-N -1 3 340.456 3.531 20 0 EHADHM Cc1ncc(-c2ccc(NCc3ccc(-c4nnn[n-]4)s3)cc2)o1 ZINC000822466860 607311888 /nfs/dbraw/zinc/31/18/88/607311888.db2.gz DKGLKSWIOXIUNM-UHFFFAOYSA-N -1 3 338.396 3.504 20 0 EHADHM CCCOc1ccc(NCc2ccc(-c3nnn[n-]3)s2)c(C)c1 ZINC000821134299 607313197 /nfs/dbraw/zinc/31/31/97/607313197.db2.gz SHICSFYGHLTQMN-UHFFFAOYSA-N -1 3 329.429 3.638 20 0 EHADHM Fc1cc(NCc2cc(-c3nnn[n-]3)cs2)ccc1OC1CCC1 ZINC000822753956 607319153 /nfs/dbraw/zinc/31/91/53/607319153.db2.gz TYXCXYWGZMXBNC-UHFFFAOYSA-N -1 3 345.403 3.611 20 0 EHADHM Fc1cc(NCc2cc(-c3nn[n-]n3)cs2)ccc1OC1CCC1 ZINC000822753956 607319154 /nfs/dbraw/zinc/31/91/54/607319154.db2.gz TYXCXYWGZMXBNC-UHFFFAOYSA-N -1 3 345.403 3.611 20 0 EHADHM O=C([O-])C1CCC(N[C@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000821494875 598116113 /nfs/dbraw/zinc/11/61/13/598116113.db2.gz WBHMYSHQZLTAMP-JFUPDXTOSA-N -1 3 328.387 3.543 20 0 EHADHM CN(Cc1ccccc1-c1ccccc1)c1ncccc1-c1nnn[n-]1 ZINC000736827343 598246923 /nfs/dbraw/zinc/24/69/23/598246923.db2.gz BBTMHQKBMLQNSN-UHFFFAOYSA-N -1 3 342.406 3.565 20 0 EHADHM CN(Cc1ccccc1-c1ccccc1)c1ncccc1-c1nn[n-]n1 ZINC000736827343 598246924 /nfs/dbraw/zinc/24/69/24/598246924.db2.gz BBTMHQKBMLQNSN-UHFFFAOYSA-N -1 3 342.406 3.565 20 0 EHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@H](c1ccccc1)C1CCC1 ZINC000738177667 598254903 /nfs/dbraw/zinc/25/49/03/598254903.db2.gz CHPHJVHGZMEGAJ-QGZVFWFLSA-N -1 3 348.410 3.530 20 0 EHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@H](c1ccccc1)C1CCC1 ZINC000738177667 598254904 /nfs/dbraw/zinc/25/49/04/598254904.db2.gz CHPHJVHGZMEGAJ-QGZVFWFLSA-N -1 3 348.410 3.530 20 0 EHADHM CN(Cc1cccs1)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736829660 598275290 /nfs/dbraw/zinc/27/52/90/598275290.db2.gz JSMXQULLUBBHAU-UHFFFAOYSA-N -1 3 339.346 3.583 20 0 EHADHM CC[C@H](COC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736355050 598331201 /nfs/dbraw/zinc/33/12/01/598331201.db2.gz XDOFSKJOQUGFHJ-RDRICISKSA-N -1 3 348.406 3.617 20 0 EHADHM CC[C@H](COC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000736355050 598331203 /nfs/dbraw/zinc/33/12/03/598331203.db2.gz XDOFSKJOQUGFHJ-RDRICISKSA-N -1 3 348.406 3.617 20 0 EHADHM C[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1Cl ZINC000737194554 598331669 /nfs/dbraw/zinc/33/16/69/598331669.db2.gz ODPPIQFRZCDANJ-SECBINFHSA-N -1 3 346.749 3.577 20 0 EHADHM C[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1Cl ZINC000737194554 598331671 /nfs/dbraw/zinc/33/16/71/598331671.db2.gz ODPPIQFRZCDANJ-SECBINFHSA-N -1 3 346.749 3.577 20 0 EHADHM CC(C)(C)c1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000735651398 598392051 /nfs/dbraw/zinc/39/20/51/598392051.db2.gz UBCFFSPTYHHQCI-UHFFFAOYSA-N -1 3 342.834 3.825 20 0 EHADHM CC(C)(C)c1ccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000735651398 598392052 /nfs/dbraw/zinc/39/20/52/598392052.db2.gz UBCFFSPTYHHQCI-UHFFFAOYSA-N -1 3 342.834 3.825 20 0 EHADHM CC=CC=CC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736302814 598552817 /nfs/dbraw/zinc/55/28/17/598552817.db2.gz HCFYCYGOYJZDEX-CRBCFSCISA-N -1 3 347.378 3.730 20 0 EHADHM CC=CC=CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736302814 598552819 /nfs/dbraw/zinc/55/28/19/598552819.db2.gz HCFYCYGOYJZDEX-CRBCFSCISA-N -1 3 347.378 3.730 20 0 EHADHM Cc1ccc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)s1 ZINC000737340781 598575024 /nfs/dbraw/zinc/57/50/24/598575024.db2.gz CRFOXKNRWXRKCS-UHFFFAOYSA-N -1 3 339.346 3.868 20 0 EHADHM Cc1ccc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000737340781 598575026 /nfs/dbraw/zinc/57/50/26/598575026.db2.gz CRFOXKNRWXRKCS-UHFFFAOYSA-N -1 3 339.346 3.868 20 0 EHADHM C[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000736279241 598577705 /nfs/dbraw/zinc/57/77/05/598577705.db2.gz WURUTQCYNIRCJZ-SNVBAGLBSA-N -1 3 325.338 3.512 20 0 EHADHM C[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000736279241 598577706 /nfs/dbraw/zinc/57/77/06/598577706.db2.gz WURUTQCYNIRCJZ-SNVBAGLBSA-N -1 3 325.338 3.512 20 0 EHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1Nc1ncccn1 ZINC000737279166 598582179 /nfs/dbraw/zinc/58/21/79/598582179.db2.gz HONPMQXXLIQMDJ-UHFFFAOYSA-N -1 3 345.366 3.501 20 0 EHADHM CCC[C@H]1CCCC[C@@H]1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736438454 598607234 /nfs/dbraw/zinc/60/72/34/598607234.db2.gz ZXLXBJSDGFNTNQ-JSGCOSHPSA-N -1 3 344.488 3.512 20 0 EHADHM CCC[C@H]1CCCC[C@@H]1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736438454 598607236 /nfs/dbraw/zinc/60/72/36/598607236.db2.gz ZXLXBJSDGFNTNQ-JSGCOSHPSA-N -1 3 344.488 3.512 20 0 EHADHM Clc1cc(NCc2cc3ccccc3o2)ccc1-c1nnn[n-]1 ZINC000737564709 598653585 /nfs/dbraw/zinc/65/35/85/598653585.db2.gz JNSXQBCQZIXOHD-UHFFFAOYSA-N -1 3 325.759 3.878 20 0 EHADHM Clc1cc(NCc2cc3ccccc3o2)ccc1-c1nn[n-]n1 ZINC000737564709 598653586 /nfs/dbraw/zinc/65/35/86/598653586.db2.gz JNSXQBCQZIXOHD-UHFFFAOYSA-N -1 3 325.759 3.878 20 0 EHADHM CCc1nc([C@H](C)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cs1 ZINC000736701103 598680881 /nfs/dbraw/zinc/68/08/81/598680881.db2.gz ZCVMTWJGJZYSBS-QMMMGPOBSA-N -1 3 334.836 3.712 20 0 EHADHM CCc1nc([C@H](C)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cs1 ZINC000736701103 598680882 /nfs/dbraw/zinc/68/08/82/598680882.db2.gz ZCVMTWJGJZYSBS-QMMMGPOBSA-N -1 3 334.836 3.712 20 0 EHADHM COc1ccc(CSCc2ccc(F)cc2-c2nnn[n-]2)cc1F ZINC000737096545 598694914 /nfs/dbraw/zinc/69/49/14/598694914.db2.gz CMIPHHMLJOWGIH-UHFFFAOYSA-N -1 3 348.378 3.587 20 0 EHADHM COc1ccc(CSCc2ccc(F)cc2-c2nn[n-]n2)cc1F ZINC000737096545 598694916 /nfs/dbraw/zinc/69/49/16/598694916.db2.gz CMIPHHMLJOWGIH-UHFFFAOYSA-N -1 3 348.378 3.587 20 0 EHADHM CCC1CCC(N(C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)CC1 ZINC000736398114 598725852 /nfs/dbraw/zinc/72/58/52/598725852.db2.gz YTENRDQDPUEKKQ-UHFFFAOYSA-N -1 3 342.447 3.608 20 0 EHADHM CCC1CCC(N(C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000736398114 598725854 /nfs/dbraw/zinc/72/58/54/598725854.db2.gz YTENRDQDPUEKKQ-UHFFFAOYSA-N -1 3 342.447 3.608 20 0 EHADHM CCc1c(C)sc(NC(=O)CCCC(C)(C)C)c1-c1nnn[n-]1 ZINC000736670401 598737417 /nfs/dbraw/zinc/73/74/17/598737417.db2.gz OWEAOPYFEIZZFV-UHFFFAOYSA-N -1 3 335.477 3.954 20 0 EHADHM CCc1c(C)sc(NC(=O)CCCC(C)(C)C)c1-c1nn[n-]n1 ZINC000736670401 598737418 /nfs/dbraw/zinc/73/74/18/598737418.db2.gz OWEAOPYFEIZZFV-UHFFFAOYSA-N -1 3 335.477 3.954 20 0 EHADHM CCC(=CC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)c1ccccc1 ZINC000736305396 598737503 /nfs/dbraw/zinc/73/75/03/598737503.db2.gz VFMHFSJZXOOTOC-WYMLVPIESA-N -1 3 333.395 3.607 20 0 EHADHM CCC(=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)c1ccccc1 ZINC000736305396 598737504 /nfs/dbraw/zinc/73/75/04/598737504.db2.gz VFMHFSJZXOOTOC-WYMLVPIESA-N -1 3 333.395 3.607 20 0 EHADHM Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737421177 598764683 /nfs/dbraw/zinc/76/46/83/598764683.db2.gz KKJGCBSBHXOKJE-GOSISDBHSA-N -1 3 349.438 3.692 20 0 EHADHM Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737421177 598764684 /nfs/dbraw/zinc/76/46/84/598764684.db2.gz KKJGCBSBHXOKJE-GOSISDBHSA-N -1 3 349.438 3.692 20 0 EHADHM CC(C)[C@@H](C)C(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000735701779 598803700 /nfs/dbraw/zinc/80/37/00/598803700.db2.gz MFPAQSYODVQOMR-LLVKDONJSA-N -1 3 341.440 3.826 20 0 EHADHM CC(C)[C@@H](C)C(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000735701779 598803701 /nfs/dbraw/zinc/80/37/01/598803701.db2.gz MFPAQSYODVQOMR-LLVKDONJSA-N -1 3 341.440 3.826 20 0 EHADHM CCC/C=C\C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736439874 598821229 /nfs/dbraw/zinc/82/12/29/598821229.db2.gz VTOVLVYMNNMJTR-YWEYNIOJSA-N -1 3 349.394 3.954 20 0 EHADHM CCC/C=C\C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736439874 598821230 /nfs/dbraw/zinc/82/12/30/598821230.db2.gz VTOVLVYMNNMJTR-YWEYNIOJSA-N -1 3 349.394 3.954 20 0 EHADHM CC=CC=CC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736302856 598821364 /nfs/dbraw/zinc/82/13/64/598821364.db2.gz HNCGHBHARQBNHD-HOJFPOIOSA-N -1 3 347.378 3.730 20 0 EHADHM CC=CC=CC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736302856 598821366 /nfs/dbraw/zinc/82/13/66/598821366.db2.gz HNCGHBHARQBNHD-HOJFPOIOSA-N -1 3 347.378 3.730 20 0 EHADHM c1ccc2cc(NCCOc3cccc(-c4nnn[n-]4)c3)ccc2c1 ZINC000738418964 599324984 /nfs/dbraw/zinc/32/49/84/599324984.db2.gz KGRAMVNJRVKQGK-UHFFFAOYSA-N -1 3 331.379 3.511 20 0 EHADHM c1ccc2cc(NCCOc3cccc(-c4nn[n-]n4)c3)ccc2c1 ZINC000738418964 599324985 /nfs/dbraw/zinc/32/49/85/599324985.db2.gz KGRAMVNJRVKQGK-UHFFFAOYSA-N -1 3 331.379 3.511 20 0 EHADHM C[C@H](SCc1ccc(Cl)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190987 599328432 /nfs/dbraw/zinc/32/84/32/599328432.db2.gz USGSBIVYFUSWFJ-JTQLQIEISA-N -1 3 331.832 3.910 20 0 EHADHM C[C@H](SCc1ccc(Cl)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190987 599328434 /nfs/dbraw/zinc/32/84/34/599328434.db2.gz USGSBIVYFUSWFJ-JTQLQIEISA-N -1 3 331.832 3.910 20 0 EHADHM CSc1ccc(OCCSc2ccccc2-c2nnn[n-]2)cc1 ZINC000821984342 599342526 /nfs/dbraw/zinc/34/25/26/599342526.db2.gz NLKIKKWTHYYPJA-UHFFFAOYSA-N -1 3 344.465 3.760 20 0 EHADHM CSc1ccc(OCCSc2ccccc2-c2nn[n-]n2)cc1 ZINC000821984342 599342528 /nfs/dbraw/zinc/34/25/28/599342528.db2.gz NLKIKKWTHYYPJA-UHFFFAOYSA-N -1 3 344.465 3.760 20 0 EHADHM Cc1cc(COc2ccc(-c3nn[n-]n3)cc2C)c2ccccc2n1 ZINC000737264145 599364289 /nfs/dbraw/zinc/36/42/89/599364289.db2.gz NVPJNQQRQIVVSK-UHFFFAOYSA-N -1 3 331.379 3.611 20 0 EHADHM CC(C)Oc1cccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000735913782 599410424 /nfs/dbraw/zinc/41/04/24/599410424.db2.gz QVFUWCCVJFMBMY-UHFFFAOYSA-N -1 3 343.818 3.919 20 0 EHADHM CC(C)Oc1cccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000735913782 599410429 /nfs/dbraw/zinc/41/04/29/599410429.db2.gz QVFUWCCVJFMBMY-UHFFFAOYSA-N -1 3 343.818 3.919 20 0 EHADHM C[C@@H]1C[C@H]1c1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)o1 ZINC000736236327 599413455 /nfs/dbraw/zinc/41/34/55/599413455.db2.gz JKKJNIASLKBFLD-NOZJJQNGSA-N -1 3 329.791 3.849 20 0 EHADHM C[C@@H]1C[C@H]1c1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)o1 ZINC000736236327 599413458 /nfs/dbraw/zinc/41/34/58/599413458.db2.gz JKKJNIASLKBFLD-NOZJJQNGSA-N -1 3 329.791 3.849 20 0 EHADHM CC(C)Oc1ccccc1CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000735913140 599413589 /nfs/dbraw/zinc/41/35/89/599413589.db2.gz HEFJBDCFMXDQJU-UHFFFAOYSA-N -1 3 343.818 3.919 20 0 EHADHM CC(C)Oc1ccccc1CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000735913140 599413592 /nfs/dbraw/zinc/41/35/92/599413592.db2.gz HEFJBDCFMXDQJU-UHFFFAOYSA-N -1 3 343.818 3.919 20 0 EHADHM Fc1ccc(SCCCNc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000822782998 599466732 /nfs/dbraw/zinc/46/67/32/599466732.db2.gz PLNQCJVLRRYAHG-UHFFFAOYSA-N -1 3 347.394 3.739 20 0 EHADHM Fc1ccc(SCCCNc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000822782998 599466734 /nfs/dbraw/zinc/46/67/34/599466734.db2.gz PLNQCJVLRRYAHG-UHFFFAOYSA-N -1 3 347.394 3.739 20 0 EHADHM CC[C@@H](Sc1ccc(-c2nnn[n-]2)cn1)c1ccc(F)cc1F ZINC000736391283 599520474 /nfs/dbraw/zinc/52/04/74/599520474.db2.gz MDVMOLNGAWTCRX-CYBMUJFWSA-N -1 3 333.367 3.783 20 0 EHADHM CC[C@@H](Sc1ccc(-c2nn[n-]n2)cn1)c1ccc(F)cc1F ZINC000736391283 599520476 /nfs/dbraw/zinc/52/04/76/599520476.db2.gz MDVMOLNGAWTCRX-CYBMUJFWSA-N -1 3 333.367 3.783 20 0 EHADHM C[C@@H](SCCOc1ccccc1-c1nnn[n-]1)c1cccs1 ZINC000736189257 599524656 /nfs/dbraw/zinc/52/46/56/599524656.db2.gz OSTOWXALKNUYCO-LLVKDONJSA-N -1 3 332.454 3.801 20 0 EHADHM C[C@@H](SCCOc1ccccc1-c1nn[n-]n1)c1cccs1 ZINC000736189257 599524659 /nfs/dbraw/zinc/52/46/59/599524659.db2.gz OSTOWXALKNUYCO-LLVKDONJSA-N -1 3 332.454 3.801 20 0 EHADHM CCc1ccc([C@H](C)CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000524112068 599538141 /nfs/dbraw/zinc/53/81/41/599538141.db2.gz NUBPYLGHBMIMMB-CYBMUJFWSA-N -1 3 335.411 3.561 20 0 EHADHM CCc1ccc([C@H](C)CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000524112068 599538143 /nfs/dbraw/zinc/53/81/43/599538143.db2.gz NUBPYLGHBMIMMB-CYBMUJFWSA-N -1 3 335.411 3.561 20 0 EHADHM CCc1ccc([C@H]2CCCCN2c2cccc(F)c2-c2nnn[n-]2)o1 ZINC000821482916 599579000 /nfs/dbraw/zinc/57/90/00/599579000.db2.gz WKSVFEXFACKGMZ-CQSZACIVSA-N -1 3 341.390 3.893 20 0 EHADHM CCc1ccc([C@H]2CCCCN2c2cccc(F)c2-c2nn[n-]n2)o1 ZINC000821482916 599579003 /nfs/dbraw/zinc/57/90/03/599579003.db2.gz WKSVFEXFACKGMZ-CQSZACIVSA-N -1 3 341.390 3.893 20 0 EHADHM COc1ccc([C@@H](C)CCNc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821777396 599587690 /nfs/dbraw/zinc/58/76/90/599587690.db2.gz DYFAMWCIQHIIJS-LBPRGKRZSA-N -1 3 341.390 3.620 20 0 EHADHM Cc1cc(CNC(C)(C)c2ccc(F)cc2)cc(C)c1OCC(=O)[O-] ZINC000738390269 599986841 /nfs/dbraw/zinc/98/68/41/599986841.db2.gz WQUJZLCZQSAMML-UHFFFAOYSA-N -1 3 345.414 3.931 20 0 EHADHM COc1ccc([C@@H]2CCCN2Cc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000737987371 599996764 /nfs/dbraw/zinc/99/67/64/599996764.db2.gz RFOVYTSUODDNAZ-SFHVURJKSA-N -1 3 341.407 3.739 20 0 EHADHM CN(CCOc1cccc(Cl)c1)Cc1ccc(F)cc1C(=O)[O-] ZINC000737448521 600082434 /nfs/dbraw/zinc/08/24/34/600082434.db2.gz BNLBUCNOLBPHCF-UHFFFAOYSA-N -1 3 337.778 3.688 20 0 EHADHM CC(C)CCCCCC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824243538 607426616 /nfs/dbraw/zinc/42/66/16/607426616.db2.gz ISZLWWHBUXTYOV-UHFFFAOYSA-N -1 3 341.459 3.579 20 0 EHADHM CC(C)CCCCCC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824243538 607426618 /nfs/dbraw/zinc/42/66/18/607426618.db2.gz 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O=C([O-])c1sccc1CN1CC[C@H](OCCCc2ccccc2)C1 ZINC000582551282 601491055 /nfs/dbraw/zinc/49/10/55/601491055.db2.gz CPCOHQIAWFHVBE-KRWDZBQOSA-N -1 3 345.464 3.670 20 0 EHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000566361936 601581644 /nfs/dbraw/zinc/58/16/44/601581644.db2.gz OMXDHUSNZMCRKJ-WBVHZDCISA-N -1 3 343.423 3.763 20 0 EHADHM CN(Cc1ccc(OC(F)F)cc1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000830840016 601614195 /nfs/dbraw/zinc/61/41/95/601614195.db2.gz HPBJZWXQGWGMQP-UHFFFAOYSA-N -1 3 339.313 3.757 20 0 EHADHM c1csc(-c2ccc(NCc3ccc(-c4nnn[n-]4)s3)cc2)n1 ZINC000826526385 607518966 /nfs/dbraw/zinc/51/89/66/607518966.db2.gz WSBVHDFHZCICHY-UHFFFAOYSA-N -1 3 340.437 3.664 20 0 EHADHM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CCC(C)(C)C)CC2 ZINC000574165315 601844774 /nfs/dbraw/zinc/84/47/74/601844774.db2.gz VEPITWPFJJQKJC-HNNXBMFYSA-N -1 3 335.444 3.514 20 0 EHADHM COCc1cccc(CSCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000826164746 607533863 /nfs/dbraw/zinc/53/38/63/607533863.db2.gz OBZCVJTVPGZNFU-UHFFFAOYSA-N -1 3 344.415 3.586 20 0 EHADHM COCc1cccc(CSCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826164746 607533865 /nfs/dbraw/zinc/53/38/65/607533865.db2.gz OBZCVJTVPGZNFU-UHFFFAOYSA-N -1 3 344.415 3.586 20 0 EHADHM C[C@H](CCC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824401289 607540448 /nfs/dbraw/zinc/54/04/48/607540448.db2.gz PMFYAUSXWWTOAL-CABCVRRESA-N -1 3 349.438 3.628 20 0 EHADHM C[C@H](CCC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824401289 607540450 /nfs/dbraw/zinc/54/04/50/607540450.db2.gz PMFYAUSXWWTOAL-CABCVRRESA-N -1 3 349.438 3.628 20 0 EHADHM O=C([O-])N1CCC(CCN[C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000740502501 602047155 /nfs/dbraw/zinc/04/71/55/602047155.db2.gz RXVZZYQTQZYZQU-IBGZPJMESA-N -1 3 339.439 3.541 20 0 EHADHM CCC(CC)(CC(=O)[O-])NCc1nnc(-c2cccc(Cl)c2)o1 ZINC000828804951 602209052 /nfs/dbraw/zinc/20/90/52/602209052.db2.gz XPWCZZBGIWUDLT-UHFFFAOYSA-N -1 3 337.807 3.513 20 0 EHADHM COc1ccc(C2(NCc3ccc(NC(=O)[O-])nc3)CCCC2)cc1 ZINC000829331892 603554700 /nfs/dbraw/zinc/55/47/00/603554700.db2.gz NMBLLRKBNZVWIJ-UHFFFAOYSA-N -1 3 341.411 3.739 20 0 EHADHM C[C@H](NCc1ccc(NC(=O)[O-])nc1)c1cccc(N2CCCC2)c1 ZINC000825503504 603575258 /nfs/dbraw/zinc/57/52/58/603575258.db2.gz VMNCCXJESNJEEA-AWEZNQCLSA-N -1 3 340.427 3.623 20 0 EHADHM Cc1cc(Cl)cc2c1OCCC[C@@H]2N[C@H]1CCCN(C(=O)[O-])C1 ZINC000832886100 604404613 /nfs/dbraw/zinc/40/46/13/604404613.db2.gz HOLOVOCIHCHPSW-ZFWWWQNUSA-N -1 3 338.835 3.594 20 0 EHADHM C[C@@H](NC(=O)[O-])c1ccc(CNCc2cnc3ccccc3c2)cc1 ZINC000825402319 604413301 /nfs/dbraw/zinc/41/33/01/604413301.db2.gz JWGHXGYOPDMURC-CQSZACIVSA-N -1 3 335.407 3.853 20 0 EHADHM CC[C@](C)(CC(=O)[O-])NCc1nc2cc(C(F)(F)F)ccc2o1 ZINC000828672487 604487084 /nfs/dbraw/zinc/48/70/84/604487084.db2.gz SMYPOAHIAFJSFZ-CQSZACIVSA-N -1 3 330.306 3.580 20 0 EHADHM C[C@H](Oc1ccc(CN2CCc3ccccc3[C@H]2C)cc1)C(=O)[O-] ZINC000833537807 604633544 /nfs/dbraw/zinc/63/35/44/604633544.db2.gz AUHBRCVDFUXION-CABCVRRESA-N -1 3 325.408 3.658 20 0 EHADHM COc1ccc(CCCN(C)Cc2ccc(C(=O)[O-])cc2F)cc1 ZINC000579961182 604752146 /nfs/dbraw/zinc/75/21/46/604752146.db2.gz ANRYPEZQQWFNEB-UHFFFAOYSA-N -1 3 331.387 3.597 20 0 EHADHM O=C([O-])c1ccoc1CN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000833334665 604784711 /nfs/dbraw/zinc/78/47/11/604784711.db2.gz RREKZNCPGIQKNO-GFCCVEGCSA-N -1 3 346.452 3.693 20 0 EHADHM CC1=C(C(=O)[O-])C[C@H](CN2CCCC[C@H]2c2cc3ccccc3[nH]2)O1 ZINC000833585458 604834504 /nfs/dbraw/zinc/83/45/04/604834504.db2.gz SNTXAVCQIWKQIT-BEFAXECRSA-N -1 3 340.423 3.842 20 0 EHADHM CCn1c(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)nc2cc(F)ccc21 ZINC000652499772 604942753 /nfs/dbraw/zinc/94/27/53/604942753.db2.gz LTABZUSTZRPXJJ-CYBMUJFWSA-N -1 3 347.434 3.518 20 0 EHADHM CCc1nc(C)c([C@H](C)NCc2ccc(CCNC(=O)[O-])cc2)s1 ZINC000827627841 604942890 /nfs/dbraw/zinc/94/28/90/604942890.db2.gz XVGIDVBUGHPFRT-LBPRGKRZSA-N -1 3 347.484 3.675 20 0 EHADHM C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCC[C@H](C(=O)[O-])C1 ZINC000565107057 605069500 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/nfs/dbraw/zinc/06/20/89/606062089.db2.gz IHEZMDQPLGKQJY-KRWDZBQOSA-N -1 3 334.427 3.610 20 0 EHADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)[C@@H](C)c1ccccc1 ZINC000820461373 606141623 /nfs/dbraw/zinc/14/16/23/606141623.db2.gz IUQDJELMXPBUAC-GHMZBOCLSA-N -1 3 328.807 3.519 20 0 EHADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)[C@@H](C)c1ccccc1 ZINC000820461373 606141625 /nfs/dbraw/zinc/14/16/25/606141625.db2.gz IUQDJELMXPBUAC-GHMZBOCLSA-N -1 3 328.807 3.519 20 0 EHADHM C[C@@H](c1ccc(Cl)cc1)[S@@](=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820563005 606155918 /nfs/dbraw/zinc/15/59/18/606155918.db2.gz LCZCMRKPHXJQCM-RULNZOCKSA-N -1 3 346.843 3.530 20 0 EHADHM C[C@@H](c1ccc(Cl)cc1)[S@@](=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820563005 606155919 /nfs/dbraw/zinc/15/59/19/606155919.db2.gz LCZCMRKPHXJQCM-RULNZOCKSA-N -1 3 346.843 3.530 20 0 EHADHM COc1ccccc1CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000821899264 606174172 /nfs/dbraw/zinc/17/41/72/606174172.db2.gz WIJUWDBZQKDADU-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM COc1ccccc1CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821899264 606174174 /nfs/dbraw/zinc/17/41/74/606174174.db2.gz WIJUWDBZQKDADU-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM CC[C@H](C)Oc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000820877041 606213084 /nfs/dbraw/zinc/21/30/84/606213084.db2.gz YPPRMPCGUNSWOW-NSHDSACASA-N -1 3 329.429 3.718 20 0 EHADHM CC[C@H](C)Oc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000820877041 606213086 /nfs/dbraw/zinc/21/30/86/606213086.db2.gz YPPRMPCGUNSWOW-NSHDSACASA-N -1 3 329.429 3.718 20 0 EHADHM C[C@H](OC(=O)c1ccc(F)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512037 606340956 /nfs/dbraw/zinc/34/09/56/606340956.db2.gz FXRHKUWEWIROFZ-VIFPVBQESA-N -1 3 346.749 3.577 20 0 EHADHM C[C@H](OC(=O)c1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512037 606340958 /nfs/dbraw/zinc/34/09/58/606340958.db2.gz FXRHKUWEWIROFZ-VIFPVBQESA-N -1 3 346.749 3.577 20 0 EHADHM CC(C)CC(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820050500 606360611 /nfs/dbraw/zinc/36/06/11/606360611.db2.gz AWBQFDZDGAKWGM-UHFFFAOYSA-N -1 3 338.367 3.611 20 0 EHADHM CC(C)CC(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820050500 606360612 /nfs/dbraw/zinc/36/06/12/606360612.db2.gz AWBQFDZDGAKWGM-UHFFFAOYSA-N -1 3 338.367 3.611 20 0 EHADHM COc1cccc([C@@H](C)Sc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821860250 606360731 /nfs/dbraw/zinc/36/07/31/606360731.db2.gz ZKSWKFQJMYINBY-SNVBAGLBSA-N -1 3 330.388 3.868 20 0 EHADHM COc1cccc([C@@H](C)Sc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821860250 606360733 /nfs/dbraw/zinc/36/07/33/606360733.db2.gz ZKSWKFQJMYINBY-SNVBAGLBSA-N -1 3 330.388 3.868 20 0 EHADHM Cc1cc([C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)ccc1F ZINC000822190844 606431295 /nfs/dbraw/zinc/43/12/95/606431295.db2.gz CENZBZJHIFKNMY-SECBINFHSA-N -1 3 332.770 3.536 20 0 EHADHM Cc1cc([C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)ccc1F ZINC000822190844 606431296 /nfs/dbraw/zinc/43/12/96/606431296.db2.gz CENZBZJHIFKNMY-SECBINFHSA-N -1 3 332.770 3.536 20 0 EHADHM c1csc(CN(c2cc(-c3nnn[n-]3)c3ccccc3n2)C2CC2)c1 ZINC000823816782 606451435 /nfs/dbraw/zinc/45/14/35/606451435.db2.gz YCNGCDSITSDXDF-UHFFFAOYSA-N -1 3 348.435 3.645 20 0 EHADHM c1csc(CN(c2cc(-c3nn[n-]n3)c3ccccc3n2)C2CC2)c1 ZINC000823816782 606451436 /nfs/dbraw/zinc/45/14/36/606451436.db2.gz YCNGCDSITSDXDF-UHFFFAOYSA-N -1 3 348.435 3.645 20 0 EHADHM Cc1cc(NCc2cccc(-c3nnn[n-]3)c2)ccc1C(F)(F)F ZINC000822209348 606462907 /nfs/dbraw/zinc/46/29/07/606462907.db2.gz DVJSEQIOLNXZAG-UHFFFAOYSA-N -1 3 333.317 3.806 20 0 EHADHM Cc1cc(NCc2cccc(-c3nn[n-]n3)c2)ccc1C(F)(F)F ZINC000822209348 606462909 /nfs/dbraw/zinc/46/29/09/606462909.db2.gz DVJSEQIOLNXZAG-UHFFFAOYSA-N -1 3 333.317 3.806 20 0 EHADHM C[C@H]1CCc2c(sc(NC(=O)CCC3CCC3)c2-c2nnn[n-]2)C1 ZINC000820727591 606488648 /nfs/dbraw/zinc/48/86/48/606488648.db2.gz MVLXNNFHIWGQDY-JTQLQIEISA-N -1 3 345.472 3.572 20 0 EHADHM C[C@H]1CCc2c(sc(NC(=O)CCC3CCC3)c2-c2nn[n-]n2)C1 ZINC000820727591 606488649 /nfs/dbraw/zinc/48/86/49/606488649.db2.gz MVLXNNFHIWGQDY-JTQLQIEISA-N -1 3 345.472 3.572 20 0 EHADHM Cc1ccccc1-c1cnc(COc2ccc(-c3nn[n-]n3)cc2C)o1 ZINC000822136546 606769422 /nfs/dbraw/zinc/76/94/22/606769422.db2.gz MGVQKUKJFUEHSN-UHFFFAOYSA-N -1 3 347.378 3.718 20 0 EHADHM CCc1noc(C)c1CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821554801 606860092 /nfs/dbraw/zinc/86/00/92/606860092.db2.gz SIVBWGRCRFNXJK-NSHDSACASA-N -1 3 329.429 3.720 20 0 EHADHM CCc1noc(C)c1CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821554801 606860094 /nfs/dbraw/zinc/86/00/94/606860094.db2.gz SIVBWGRCRFNXJK-NSHDSACASA-N -1 3 329.429 3.720 20 0 EHADHM CC(C)c1ccc(N(C)C(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820192546 606936297 /nfs/dbraw/zinc/93/62/97/606936297.db2.gz SRBAKCKSDFSTAI-UHFFFAOYSA-N -1 3 349.438 3.586 20 0 EHADHM CC(C)c1ccc(N(C)C(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820192546 606936298 /nfs/dbraw/zinc/93/62/98/606936298.db2.gz SRBAKCKSDFSTAI-UHFFFAOYSA-N -1 3 349.438 3.586 20 0 EHADHM CCOc1ccc(SCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000821427233 607007041 /nfs/dbraw/zinc/00/70/41/607007041.db2.gz PKZJVRZMUJBMDB-UHFFFAOYSA-N -1 3 330.388 3.697 20 0 EHADHM CCOc1ccc(SCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000821427233 607007042 /nfs/dbraw/zinc/00/70/42/607007042.db2.gz PKZJVRZMUJBMDB-UHFFFAOYSA-N -1 3 330.388 3.697 20 0 EHADHM Fc1ccc(CSc2ccnc3ccccc32)cc1-c1nnn[n-]1 ZINC000822774169 607008443 /nfs/dbraw/zinc/00/84/43/607008443.db2.gz GCENOGZHQGCSJH-UHFFFAOYSA-N -1 3 337.383 3.846 20 0 EHADHM Fc1ccc(CSc2ccnc3ccccc32)cc1-c1nn[n-]n1 ZINC000822774169 607008445 /nfs/dbraw/zinc/00/84/45/607008445.db2.gz GCENOGZHQGCSJH-UHFFFAOYSA-N -1 3 337.383 3.846 20 0 EHADHM Cc1ccc(C(=O)[C@@H](C)Sc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000822224909 607012017 /nfs/dbraw/zinc/01/20/17/607012017.db2.gz FTDUCUBPDDNTKK-CYBMUJFWSA-N -1 3 338.436 3.847 20 0 EHADHM Cc1ccc(C(=O)[C@@H](C)Sc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000822224909 607012019 /nfs/dbraw/zinc/01/20/19/607012019.db2.gz FTDUCUBPDDNTKK-CYBMUJFWSA-N -1 3 338.436 3.847 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1ccc(C(C)(C)C)cc1 ZINC000822217895 607017641 /nfs/dbraw/zinc/01/76/41/607017641.db2.gz QVBNHXTUKZTERG-UHFFFAOYSA-N -1 3 349.438 3.654 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc(C(C)(C)C)cc1 ZINC000822217895 607017644 /nfs/dbraw/zinc/01/76/44/607017644.db2.gz QVBNHXTUKZTERG-UHFFFAOYSA-N -1 3 349.438 3.654 20 0 EHADHM Fc1ccc(-c2nnn[n-]2)c(CN2CC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000822757651 607070927 /nfs/dbraw/zinc/07/09/27/607070927.db2.gz BARVPTTYZYJSOL-MRXNPFEDSA-N -1 3 343.793 3.606 20 0 EHADHM Fc1ccc(-c2nn[n-]n2)c(CN2CC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000822757651 607070929 /nfs/dbraw/zinc/07/09/29/607070929.db2.gz BARVPTTYZYJSOL-MRXNPFEDSA-N -1 3 343.793 3.606 20 0 EHADHM COc1cccc2c1CC[C@H]2Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821877810 607119225 /nfs/dbraw/zinc/11/92/25/607119225.db2.gz VYWIRFGKKVXKHC-OAHLLOKOSA-N -1 3 341.802 3.628 20 0 EHADHM COc1cccc2c1CC[C@H]2Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821877810 607119226 /nfs/dbraw/zinc/11/92/26/607119226.db2.gz VYWIRFGKKVXKHC-OAHLLOKOSA-N -1 3 341.802 3.628 20 0 EHADHM Cl/C=C/CNc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822563480 607124349 /nfs/dbraw/zinc/12/43/49/607124349.db2.gz KRKZFERRRMEWGN-FPYGCLRLSA-N -1 3 341.802 3.610 20 0 EHADHM Cl/C=C/CNc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822563480 607124351 /nfs/dbraw/zinc/12/43/51/607124351.db2.gz KRKZFERRRMEWGN-FPYGCLRLSA-N -1 3 341.802 3.610 20 0 EHADHM Clc1cccc(-c2nnn[n-]2)c1N[C@@H]1CCOC2(CCCCC2)C1 ZINC000822581089 607131318 /nfs/dbraw/zinc/13/13/18/607131318.db2.gz AGTAZLDDBGLGPC-GFCCVEGCSA-N -1 3 347.850 3.814 20 0 EHADHM Clc1cccc(-c2nn[n-]n2)c1N[C@@H]1CCOC2(CCCCC2)C1 ZINC000822581089 607131320 /nfs/dbraw/zinc/13/13/20/607131320.db2.gz AGTAZLDDBGLGPC-GFCCVEGCSA-N -1 3 347.850 3.814 20 0 EHADHM C[C@@H](Cc1ccco1)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000820299993 607172492 /nfs/dbraw/zinc/17/24/92/607172492.db2.gz MKZNMXVMUSWXOK-VIFPVBQESA-N -1 3 337.305 3.522 20 0 EHADHM C[C@@H](Cc1ccco1)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000820299993 607172493 /nfs/dbraw/zinc/17/24/93/607172493.db2.gz MKZNMXVMUSWXOK-VIFPVBQESA-N -1 3 337.305 3.522 20 0 EHADHM C[C@H](Cc1ccco1)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000820299992 607172561 /nfs/dbraw/zinc/17/25/61/607172561.db2.gz MKZNMXVMUSWXOK-SECBINFHSA-N -1 3 337.305 3.522 20 0 EHADHM C[C@H](Cc1ccco1)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000820299992 607172562 /nfs/dbraw/zinc/17/25/62/607172562.db2.gz MKZNMXVMUSWXOK-SECBINFHSA-N -1 3 337.305 3.522 20 0 EHADHM Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1Cl ZINC000822226441 607190076 /nfs/dbraw/zinc/19/00/76/607190076.db2.gz SHFHVMNJDYMZLT-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1Cl ZINC000822226441 607190077 /nfs/dbraw/zinc/19/00/77/607190077.db2.gz SHFHVMNJDYMZLT-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM CCC(CC)(CC)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820887950 607204193 /nfs/dbraw/zinc/20/41/93/607204193.db2.gz YQHYOXVEFMXNAD-UHFFFAOYSA-N -1 3 336.827 3.610 20 0 EHADHM CCC(CC)(CC)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820887950 607204194 /nfs/dbraw/zinc/20/41/94/607204194.db2.gz YQHYOXVEFMXNAD-UHFFFAOYSA-N -1 3 336.827 3.610 20 0 EHADHM C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820697175 607241287 /nfs/dbraw/zinc/24/12/87/607241287.db2.gz FNPOKEAQRYQPCD-WDEREUQCSA-N -1 3 333.823 3.675 20 0 EHADHM C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820697175 607241288 /nfs/dbraw/zinc/24/12/88/607241288.db2.gz FNPOKEAQRYQPCD-WDEREUQCSA-N -1 3 333.823 3.675 20 0 EHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000823314553 607243390 /nfs/dbraw/zinc/24/33/90/607243390.db2.gz PVBHXVWEEGRRHW-CHWSQXEVSA-N -1 3 345.834 3.675 20 0 EHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000823314553 607243391 /nfs/dbraw/zinc/24/33/91/607243391.db2.gz PVBHXVWEEGRRHW-CHWSQXEVSA-N -1 3 345.834 3.675 20 0 EHADHM Cc1c(NC(=S)Nc2ccc(Cl)cc2)cccc1-c1nnn[n-]1 ZINC000822116743 607252104 /nfs/dbraw/zinc/25/21/04/607252104.db2.gz XFLXLGAAFGNWCK-UHFFFAOYSA-N -1 3 344.831 3.637 20 0 EHADHM Cc1c(NC(=S)Nc2ccc(Cl)cc2)cccc1-c1nn[n-]n1 ZINC000822116743 607252105 /nfs/dbraw/zinc/25/21/05/607252105.db2.gz XFLXLGAAFGNWCK-UHFFFAOYSA-N -1 3 344.831 3.637 20 0 EHADHM Cc1c(NC(=S)Nc2cccc(Cl)c2)cccc1-c1nnn[n-]1 ZINC000822116444 607252288 /nfs/dbraw/zinc/25/22/88/607252288.db2.gz RDJMQHLSCTUJNB-UHFFFAOYSA-N -1 3 344.831 3.637 20 0 EHADHM Cc1c(NC(=S)Nc2cccc(Cl)c2)cccc1-c1nn[n-]n1 ZINC000822116444 607252289 /nfs/dbraw/zinc/25/22/89/607252289.db2.gz RDJMQHLSCTUJNB-UHFFFAOYSA-N -1 3 344.831 3.637 20 0 EHADHM CCC(C)(C)c1ccc(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825043971 607792965 /nfs/dbraw/zinc/79/29/65/607792965.db2.gz LDTCWYLITRUWDU-UHFFFAOYSA-N -1 3 349.438 3.831 20 0 EHADHM CCC(C)(C)c1ccc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825043971 607792966 /nfs/dbraw/zinc/79/29/66/607792966.db2.gz LDTCWYLITRUWDU-UHFFFAOYSA-N -1 3 349.438 3.831 20 0 EHADHM CCN(C(=O)c1sccc1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825390909 607878947 /nfs/dbraw/zinc/87/89/47/607878947.db2.gz PKONIJHGBISMOK-UHFFFAOYSA-N -1 3 347.831 3.557 20 0 EHADHM CCN(C(=O)c1sccc1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825390909 607878948 /nfs/dbraw/zinc/87/89/48/607878948.db2.gz PKONIJHGBISMOK-UHFFFAOYSA-N -1 3 347.831 3.557 20 0 EHADHM CC[C@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1c(C)noc1C ZINC000825149162 607936565 /nfs/dbraw/zinc/93/65/65/607936565.db2.gz VSPCNXUBGYDULG-AWEZNQCLSA-N -1 3 349.398 3.583 20 0 EHADHM CC[C@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1c(C)noc1C ZINC000825149162 607936566 /nfs/dbraw/zinc/93/65/66/607936566.db2.gz VSPCNXUBGYDULG-AWEZNQCLSA-N -1 3 349.398 3.583 20 0 EHADHM CC(=Cc1cccc(Cl)c1)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000823944199 607999936 /nfs/dbraw/zinc/99/99/36/607999936.db2.gz ZUQDQESTGJVVRS-VQHVLOKHSA-N -1 3 345.815 3.624 20 0 EHADHM CC(=Cc1cccc(Cl)c1)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000823944199 607999937 /nfs/dbraw/zinc/99/99/37/607999937.db2.gz ZUQDQESTGJVVRS-VQHVLOKHSA-N -1 3 345.815 3.624 20 0 EHADHM Cc1ccc(Br)c(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826281370 608048933 /nfs/dbraw/zinc/04/89/33/608048933.db2.gz OMHBIAQVNQDFPX-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM Cc1ccc(Br)c(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826281370 608048934 /nfs/dbraw/zinc/04/89/34/608048934.db2.gz OMHBIAQVNQDFPX-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM CCC(CC)[C@H](C)C(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825096331 608058292 /nfs/dbraw/zinc/05/82/92/608058292.db2.gz MFGGVFGZYBVHPH-UONOGXRCSA-N -1 3 343.475 3.849 20 0 EHADHM CCC(CC)[C@H](C)C(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825096331 608058293 /nfs/dbraw/zinc/05/82/93/608058293.db2.gz MFGGVFGZYBVHPH-UONOGXRCSA-N -1 3 343.475 3.849 20 0 EHADHM CCC[C@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C)C(C)C ZINC000825225218 608153802 /nfs/dbraw/zinc/15/38/02/608153802.db2.gz OJPVIIOEEDTBOL-AWEZNQCLSA-N -1 3 345.447 3.665 20 0 EHADHM CCC[C@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C)C(C)C ZINC000825225218 608153803 /nfs/dbraw/zinc/15/38/03/608153803.db2.gz OJPVIIOEEDTBOL-AWEZNQCLSA-N -1 3 345.447 3.665 20 0 EHADHM CCC[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C)C(C)C ZINC000825225219 608153943 /nfs/dbraw/zinc/15/39/43/608153943.db2.gz OJPVIIOEEDTBOL-CQSZACIVSA-N -1 3 345.447 3.665 20 0 EHADHM CCC[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C)C(C)C ZINC000825225219 608153945 /nfs/dbraw/zinc/15/39/45/608153945.db2.gz OJPVIIOEEDTBOL-CQSZACIVSA-N -1 3 345.447 3.665 20 0 EHADHM C[C@H](NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(F)cc1Cl ZINC000824604661 608283804 /nfs/dbraw/zinc/28/38/04/608283804.db2.gz CUGWGKNSFHDKHW-VIFPVBQESA-N -1 3 349.772 3.649 20 0 EHADHM CC[C@@H](C)n1ncc(NCc2cc(-c3nnn[n-]3)cs2)c1C1CC1 ZINC000825081650 608427575 /nfs/dbraw/zinc/42/75/75/608427575.db2.gz LJNZFLQGEJRSHC-SNVBAGLBSA-N -1 3 343.460 3.585 20 0 EHADHM CC[C@@H](C)n1ncc(NCc2cc(-c3nn[n-]n3)cs2)c1C1CC1 ZINC000825081650 608427577 /nfs/dbraw/zinc/42/75/77/608427577.db2.gz LJNZFLQGEJRSHC-SNVBAGLBSA-N -1 3 343.460 3.585 20 0 EHADHM C[C@@H](N[C@H](C)c1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824532878 609152228 /nfs/dbraw/zinc/15/22/28/609152228.db2.gz XQTRMEFXJZVXJN-NXEZZACHSA-N -1 3 347.344 3.696 20 0 EHADHM Cc1cc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)ccc1N(C)C ZINC000826271633 609277607 /nfs/dbraw/zinc/27/76/07/609277607.db2.gz ZPBUTEMZMQVYES-SFHVURJKSA-N -1 3 348.454 3.731 20 0 EHADHM C[C@@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F)c1cccc(F)c1F ZINC000824530931 609344630 /nfs/dbraw/zinc/34/46/30/609344630.db2.gz NGAGXACNBYWTMG-VHSXEESVSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F)c1cccc(F)c1F ZINC000824530931 609344631 /nfs/dbraw/zinc/34/46/31/609344631.db2.gz NGAGXACNBYWTMG-VHSXEESVSA-N -1 3 347.344 3.696 20 0 EHADHM FC(F)(F)c1cc(SCc2nccs2)ccc1-c1nnn[n-]1 ZINC000826368714 609453703 /nfs/dbraw/zinc/45/37/03/609453703.db2.gz ZISXBGYKZUNEDD-UHFFFAOYSA-N -1 3 343.359 3.634 20 0 EHADHM FC(F)(F)c1cc(SCc2nccs2)ccc1-c1nn[n-]n1 ZINC000826368714 609453706 /nfs/dbraw/zinc/45/37/06/609453706.db2.gz ZISXBGYKZUNEDD-UHFFFAOYSA-N -1 3 343.359 3.634 20 0 EHADHM CC/C(C)=C(\C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000825051601 609522959 /nfs/dbraw/zinc/52/29/59/609522959.db2.gz SCYJFUHEOCAHFJ-CCEZHUSRSA-N -1 3 341.459 3.598 20 0 EHADHM CC/C(C)=C(\C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000825051601 609522960 /nfs/dbraw/zinc/52/29/60/609522960.db2.gz SCYJFUHEOCAHFJ-CCEZHUSRSA-N -1 3 341.459 3.598 20 0 EHADHM Cc1ccccc1OCCCSc1ccccc1-c1nnn[n-]1 ZINC000737430902 945064638 /nfs/dbraw/zinc/06/46/38/945064638.db2.gz AXPPEGMAOCLCKE-UHFFFAOYSA-N -1 3 326.425 3.736 20 0 EHADHM Cc1ccccc1OCCCSc1ccccc1-c1nn[n-]n1 ZINC000737430902 945064646 /nfs/dbraw/zinc/06/46/46/945064646.db2.gz AXPPEGMAOCLCKE-UHFFFAOYSA-N -1 3 326.425 3.736 20 0 EHADHM c1sc(-c2ccccc2)nc1CCNc1ccc(-c2nn[n-]n2)cc1 ZINC000823767396 946478700 /nfs/dbraw/zinc/47/87/00/946478700.db2.gz QNUCLWUIQNMSKI-UHFFFAOYSA-N -1 3 348.435 3.645 20 0 EHADHM C[C@H](C(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1)[C@H](C)C(C)(C)C ZINC001573654444 947966741 /nfs/dbraw/zinc/96/67/41/947966741.db2.gz QVPARPLTJKWXGE-STQMWFEESA-N -1 3 343.475 3.536 20 0 EHADHM C[C@H](C(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1)[C@H](C)C(C)(C)C ZINC001573654444 947966744 /nfs/dbraw/zinc/96/67/44/947966744.db2.gz QVPARPLTJKWXGE-STQMWFEESA-N -1 3 343.475 3.536 20 0 EHADHM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575503893 949054161 /nfs/dbraw/zinc/05/41/61/949054161.db2.gz MXTVLKZNBPSPQQ-NEPJUHHUSA-N -1 3 342.834 3.544 20 0 EHADHM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575503893 949054175 /nfs/dbraw/zinc/05/41/75/949054175.db2.gz MXTVLKZNBPSPQQ-NEPJUHHUSA-N -1 3 342.834 3.544 20 0 EHADHM C[C@H](c1cccc(Br)c1)N1CCC[C@H](CC(=O)[O-])C1 ZINC000086756919 949062230 /nfs/dbraw/zinc/06/22/30/949062230.db2.gz NCLXCEOADQZJOA-VXGBXAGGSA-N -1 3 326.234 3.697 20 0 EHADHM C[C@@H](c1ccccc1Br)N1CCC(C)(C(=O)[O-])CC1 ZINC000086776714 949064709 /nfs/dbraw/zinc/06/47/09/949064709.db2.gz BFHWIDYQHVUXCT-NSHDSACASA-N -1 3 326.234 3.697 20 0 EHADHM C[C@@H]1CCC[C@H](C(=O)Nc2scc(C(C)(C)C)c2-c2nnn[n-]2)C1 ZINC001576156865 949464767 /nfs/dbraw/zinc/46/47/67/949464767.db2.gz XGRDGOWGWBRZJZ-MNOVXSKESA-N -1 3 347.488 3.991 20 0 EHADHM C[C@@H]1CCC[C@H](C(=O)Nc2scc(C(C)(C)C)c2-c2nn[n-]n2)C1 ZINC001576156865 949464774 /nfs/dbraw/zinc/46/47/74/949464774.db2.gz XGRDGOWGWBRZJZ-MNOVXSKESA-N -1 3 347.488 3.991 20 0 EHADHM O=C([O-])c1ccccc1CNCc1ccc(OCC(F)(F)F)cc1 ZINC001595255642 949602938 /nfs/dbraw/zinc/60/29/38/949602938.db2.gz UXBHOHXKUGNFCS-UHFFFAOYSA-N -1 3 339.313 3.616 20 0 EHADHM C[C@@H]1CCN(c2cc(C(F)(F)F)c(F)cc2-c2nnn[n-]2)C[C@H]1C ZINC001576213607 950635326 /nfs/dbraw/zinc/63/53/26/950635326.db2.gz DHRPMZOCUZPQTH-RKDXNWHRSA-N -1 3 343.328 3.507 20 0 EHADHM C[C@@H]1CCN(c2cc(C(F)(F)F)c(F)cc2-c2nn[n-]n2)C[C@H]1C ZINC001576213607 950635337 /nfs/dbraw/zinc/63/53/37/950635337.db2.gz DHRPMZOCUZPQTH-RKDXNWHRSA-N -1 3 343.328 3.507 20 0 EHADHM C[C@H](CC(=O)Nc1cc2ccccc2cc1-c1nnn[n-]1)c1ccco1 ZINC001574519141 950667005 /nfs/dbraw/zinc/66/70/05/950667005.db2.gz BQKGEQYGHWMRJK-GFCCVEGCSA-N -1 3 347.378 3.745 20 0 EHADHM C[C@H](CC(=O)Nc1cc2ccccc2cc1-c1nn[n-]n1)c1ccco1 ZINC001574519141 950667022 /nfs/dbraw/zinc/66/70/22/950667022.db2.gz BQKGEQYGHWMRJK-GFCCVEGCSA-N -1 3 347.378 3.745 20 0 EHADHM CC(C)(C)Oc1ccc(NCc2ccsc2)cc1-c1nnn[n-]1 ZINC001573876358 950671057 /nfs/dbraw/zinc/67/10/57/950671057.db2.gz MLXJVNTZHXVASJ-UHFFFAOYSA-N -1 3 329.429 3.718 20 0 EHADHM CC(C)(C)Oc1ccc(NCc2ccsc2)cc1-c1nn[n-]n1 ZINC001573876358 950671072 /nfs/dbraw/zinc/67/10/72/950671072.db2.gz MLXJVNTZHXVASJ-UHFFFAOYSA-N -1 3 329.429 3.718 20 0 EHADHM C[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F)CC(C)(C)C ZINC001574519892 950704765 /nfs/dbraw/zinc/70/47/65/950704765.db2.gz JPFDROJYZAPXNE-SECBINFHSA-N -1 3 337.374 3.546 20 0 EHADHM C[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F)CC(C)(C)C ZINC001574519892 950704776 /nfs/dbraw/zinc/70/47/76/950704776.db2.gz JPFDROJYZAPXNE-SECBINFHSA-N -1 3 337.374 3.546 20 0 EHADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(N[C@@H]2CCSC(C)(C)C2)n1 ZINC001575643087 950962392 /nfs/dbraw/zinc/96/23/92/950962392.db2.gz XNMFRJNBGAUJGA-LLVKDONJSA-N -1 3 346.504 3.645 20 0 EHADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(N[C@@H]2CCSC(C)(C)C2)n1 ZINC001575643087 950962411 /nfs/dbraw/zinc/96/24/11/950962411.db2.gz XNMFRJNBGAUJGA-LLVKDONJSA-N -1 3 346.504 3.645 20 0 EHADHM C[C@@H](NCc1nc(-c2cc(Cl)ccc2Cl)cs1)C(=O)[O-] ZINC000340671613 951131739 /nfs/dbraw/zinc/13/17/39/951131739.db2.gz DPIHVQCJNAPKCH-SSDOTTSWSA-N -1 3 331.224 3.680 20 0 EHADHM C[C@H](c1ccc(Br)cc1)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000521434876 953553982 /nfs/dbraw/zinc/55/39/82/953553982.db2.gz DDMGOVNJJQSFDN-JTNHKYCSSA-N -1 3 326.234 3.553 20 0 EHADHM O=C([O-])[C@@H]1CN(CCCc2c(F)cccc2F)Cc2ccccc21 ZINC000656190831 954300068 /nfs/dbraw/zinc/30/00/68/954300068.db2.gz SKEORTVETDTSCL-MRXNPFEDSA-N -1 3 331.362 3.581 20 0 EHADHM CC(C)[C@H]1N(Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)CC12CCC2 ZINC001603002683 972047782 /nfs/dbraw/zinc/04/77/82/972047782.db2.gz FHCFWPXGKYCFLO-CRAIPNDOSA-N -1 3 346.471 3.591 20 0 EHADHM O=C([O-])[C@@H]1CCN(Cc2cc(Br)c3ccccc3c2)C1 ZINC000903401452 956832037 /nfs/dbraw/zinc/83/20/37/956832037.db2.gz NXDONQQDQOHPGM-CYBMUJFWSA-N -1 3 334.213 3.509 20 0 EHADHM O=C([O-])CC[C@@H]1CCCN(Cc2cccc(Br)c2)C1 ZINC000043585359 957436840 /nfs/dbraw/zinc/43/68/40/957436840.db2.gz BYBKJNFNDHCUHS-LBPRGKRZSA-N -1 3 326.234 3.526 20 0 EHADHM Cc1nn(-c2cccc(C)c2)cc1CN[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001594386509 958678032 /nfs/dbraw/zinc/67/80/32/958678032.db2.gz LWLCLCXQLAICEN-OAQYLSRUSA-N -1 3 349.434 3.579 20 0 EHADHM CN(Cc1ccc(C(=O)[O-])cc1Br)C1CCCCC1 ZINC000226718946 959894869 /nfs/dbraw/zinc/89/48/69/959894869.db2.gz BCRKSEWMCYNACF-UHFFFAOYSA-N -1 3 326.234 3.912 20 0 EHADHM CC(C)(C)OC(=O)c1cccc(CNCc2ccccc2C(=O)[O-])c1 ZINC001588731826 961093058 /nfs/dbraw/zinc/09/30/58/961093058.db2.gz IVVJSTSTUWFFSV-UHFFFAOYSA-N -1 3 341.407 3.630 20 0 EHADHM CC(C)c1nc(CN[C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])cs1 ZINC001339153453 962014825 /nfs/dbraw/zinc/01/48/25/962014825.db2.gz ZAUGJKAYLOXDFT-BBRMVZONSA-N -1 3 332.469 3.688 20 0 EHADHM Cc1ccc(-c2nc(CN3C[C@H](C)C[C@@H](C(=O)[O-])C3)cs2)cc1 ZINC000263322911 1125481575 /nfs/dbraw/zinc/48/15/75/1125481575.db2.gz JXWQNTLVYUTGTM-UKRRQHHQSA-N -1 3 330.453 3.661 20 0 EHADHM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000153417933 1125484337 /nfs/dbraw/zinc/48/43/37/1125484337.db2.gz CUBAAPGITNTIAC-QMTHXVAHSA-N -1 3 344.798 3.892 20 0 EHADHM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000153417741 1125484524 /nfs/dbraw/zinc/48/45/24/1125484524.db2.gz CUBAAPGITNTIAC-YGRLFVJLSA-N -1 3 344.798 3.892 20 0 EHADHM Cc1nn(-c2ccccc2)c(Cl)c1CNCCCCCC(=O)[O-] ZINC000276982876 962847737 /nfs/dbraw/zinc/84/77/37/962847737.db2.gz IRWZUTVZIAXWQP-UHFFFAOYSA-N -1 3 335.835 3.569 20 0 EHADHM Cc1c2cc(F)ccc2sc1C(=O)N[N-]C(=O)c1ccccc1F ZINC000052937562 1032072738 /nfs/dbraw/zinc/07/27/38/1032072738.db2.gz QQRJSAMSHXQKHX-UHFFFAOYSA-N -1 3 346.358 3.563 20 0 EHADHM O=C([O-])[C@]1(C(F)(F)F)CCN([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000316936246 964076189 /nfs/dbraw/zinc/07/61/89/964076189.db2.gz GFTQKKGSFLYABF-OCCSQVGLSA-N -1 3 333.737 3.666 20 0 EHADHM CC(C)CC(=O)Nc1cccc(CNCc2ccc(C(=O)[O-])cc2)c1 ZINC000263376274 967882687 /nfs/dbraw/zinc/88/26/87/967882687.db2.gz APEPEEJEXKVXFK-UHFFFAOYSA-N -1 3 340.423 3.659 20 0 EHADHM O=C([O-])[C@H]1C[C@@H](NCc2ccccc2OC(F)F)c2ccccc21 ZINC000417620934 968344584 /nfs/dbraw/zinc/34/45/84/968344584.db2.gz MFCDTAVBLYWMTG-LSDHHAIUSA-N -1 3 333.334 3.691 20 0 EHADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC001603610322 973883138 /nfs/dbraw/zinc/88/31/38/973883138.db2.gz TZRNPAUZXMNABV-GOSISDBHSA-N -1 3 347.484 3.658 20 0 EHADHM O=C([O-])[C@@H](NCc1cccc2cccnc21)c1ccc(Cl)c(F)c1 ZINC000426725868 974046328 /nfs/dbraw/zinc/04/63/28/974046328.db2.gz FSECZSDTHZHSQW-KRWDZBQOSA-N -1 3 344.773 3.943 20 0 EHADHM O=C([O-])c1ccc(F)c2c1CN(CC1CCC(F)(F)CC1)CC2 ZINC000530168645 974360294 /nfs/dbraw/zinc/36/02/94/974360294.db2.gz LOPHDLABJKKXLS-UHFFFAOYSA-N -1 3 327.346 3.708 20 0 EHADHM CCO[C@H](C)c1nc(CNC2(C(=O)[O-])CCCCCC2)cs1 ZINC000565105700 974571519 /nfs/dbraw/zinc/57/15/19/974571519.db2.gz TXRBEEUIDJJFPX-GFCCVEGCSA-N -1 3 326.462 3.508 20 0 EHADHM COc1ccc(CC2CCN(Cc3cc(C)c(C(=O)[O-])o3)CC2)cc1 ZINC000568059465 974654670 /nfs/dbraw/zinc/65/46/70/974654670.db2.gz ANISEDAGMXFWDS-UHFFFAOYSA-N -1 3 343.423 3.750 20 0 EHADHM O=C([O-])c1cc(CN2CC[C@@H](OCCCc3ccccc3)C2)cs1 ZINC000568281690 974664073 /nfs/dbraw/zinc/66/40/73/974664073.db2.gz YFAAIDDUPUIOPG-QGZVFWFLSA-N -1 3 345.464 3.670 20 0 EHADHM CC1(C)CN([C@@H](C(=O)[O-])c2ccccc2F)CC[C@@H]1C(F)(F)F ZINC000568521046 974673462 /nfs/dbraw/zinc/67/34/62/974673462.db2.gz DVOPILVQLOJYQW-QWHCGFSZSA-N -1 3 333.325 3.862 20 0 EHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000579723114 974882291 /nfs/dbraw/zinc/88/22/91/974882291.db2.gz XLMAVUDQAWYHEB-LJPSSGMGSA-N -1 3 333.428 3.708 20 0 EHADHM CC(C)c1ccc(C(=O)N2CCSC[C@@H]2c2nccs2)c([O-])c1 ZINC000274563118 1014232948 /nfs/dbraw/zinc/23/29/48/1014232948.db2.gz DITNMDDCGWWMEY-CQSZACIVSA-N -1 3 348.493 3.902 20 0 EHADHM C[C@H](c1nc2ccccc2n1C(F)F)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000652514907 975570780 /nfs/dbraw/zinc/57/07/80/975570780.db2.gz GXYZOBPEPRWOLV-KGYLQXTDSA-N -1 3 349.381 3.535 20 0 EHADHM O=C([O-])CCCCCNCc1oc2ccccc2c1Br ZINC000653502439 975596255 /nfs/dbraw/zinc/59/62/55/975596255.db2.gz DCPCAZKZKGPPHI-UHFFFAOYSA-N -1 3 340.217 3.930 20 0 EHADHM CC(C)=CCCN1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC000659789084 975874794 /nfs/dbraw/zinc/87/47/94/975874794.db2.gz QBUYVQWBWWRUFI-OAHLLOKOSA-N -1 3 338.245 3.617 20 0 EHADHM CC(C)c1ccc(CN2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)c(C(C)C)c1 ZINC001591954468 976526468 /nfs/dbraw/zinc/52/64/68/976526468.db2.gz VVQQDLZMOCUARR-HXUWFJFHSA-N -1 3 344.455 3.739 20 0 EHADHM CO[C@H](C)c1nc(C)c(C(=O)Nc2ccc(Cl)cc2[O-])s1 ZINC000153551628 1014410324 /nfs/dbraw/zinc/41/03/24/1014410324.db2.gz SDHWAHILWIBRAF-MRVPVSSYSA-N -1 3 326.805 3.770 20 0 EHADHM C[C@H](NCc1sc(Sc2ccccc2)nc1Cl)C(=O)[O-] ZINC000789899246 978797936 /nfs/dbraw/zinc/79/79/36/978797936.db2.gz TXWJKNWLHVMSGL-QMMMGPOBSA-N -1 3 328.846 3.510 20 0 EHADHM CCC(CC)(CN[C@@H](C)c1nc(-c2ccccc2C)no1)C(=O)[O-] ZINC001595078079 979360838 /nfs/dbraw/zinc/36/08/38/979360838.db2.gz YDVDBPXPMBGPOW-ZDUSSCGKSA-N -1 3 331.416 3.587 20 0 EHADHM Cc1ccc(CN2CC[C@@H](c3c(F)cccc3F)C2)cc1C(=O)[O-] ZINC000872159305 980044139 /nfs/dbraw/zinc/04/41/39/980044139.db2.gz RTTJAEGHMJPNFK-CQSZACIVSA-N -1 3 331.362 3.961 20 0 EHADHM CC[C@H](NCC(=O)Nc1cc(C(=O)[O-])ccc1C)c1ccc(C)cc1 ZINC001595287516 980370169 /nfs/dbraw/zinc/37/01/69/980370169.db2.gz SEPSCVRBHUXLEY-KRWDZBQOSA-N -1 3 340.423 3.681 20 0 EHADHM CO[C@@]1(C(=O)[O-])CCN(Cc2ccc(Sc3ccccc3)cc2)C1 ZINC000901542655 980370328 /nfs/dbraw/zinc/37/03/28/980370328.db2.gz 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ZINC000902334708 980837206 /nfs/dbraw/zinc/83/72/06/980837206.db2.gz BIPIMQCBLXZVPD-AWEZNQCLSA-N -1 3 345.464 3.940 20 0 EHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(F)c(Cl)c2)cc1 ZINC000683172402 1014734639 /nfs/dbraw/zinc/73/46/39/1014734639.db2.gz YQLUDNUINJYLHQ-MRXNPFEDSA-N -1 3 337.778 3.793 20 0 EHADHM CCC[C@@](C)(NCC(=O)Nc1ccccc1C(=O)[O-])c1ccccc1 ZINC001595561058 981453132 /nfs/dbraw/zinc/45/31/32/981453132.db2.gz ZPOBIIKPCGWWJN-HXUWFJFHSA-N -1 3 340.423 3.628 20 0 EHADHM O=C([O-])c1cccc(CNCc2cc(F)cc(C(F)(F)F)c2)c1 ZINC000683176694 1014755245 /nfs/dbraw/zinc/75/52/45/1014755245.db2.gz OFNBXVGGYRDONW-UHFFFAOYSA-N -1 3 327.277 3.833 20 0 EHADHM Cc1noc([N-]C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)n1 ZINC000042762364 1014847612 /nfs/dbraw/zinc/84/76/12/1014847612.db2.gz WVPAROZWEJPSFS-UHFFFAOYSA-N -1 3 334.788 3.716 20 0 EHADHM C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[S@@](=O)c1ccc([O-])cc1 ZINC000108082963 1014929075 /nfs/dbraw/zinc/92/90/75/1014929075.db2.gz PWZPRSPGBRCTKZ-RZFZLAGVSA-N -1 3 345.464 3.825 20 0 EHADHM CCN(Cc1cc(C(=O)[O-])c(C(C)C)[nH]1)C[C@H](O)c1ccc(C)cc1 ZINC001596354329 983817218 /nfs/dbraw/zinc/81/72/18/983817218.db2.gz KOJJAPCAWLJIRL-SFHVURJKSA-N -1 3 344.455 3.700 20 0 EHADHM C[C@H](NCc1ccc(C(=O)[O-])n1C)c1ccc(Cl)c(Cl)c1 ZINC001599901270 984831605 /nfs/dbraw/zinc/83/16/05/984831605.db2.gz FVBLDUWHYBGAQP-VIFPVBQESA-N -1 3 327.211 3.881 20 0 EHADHM CCO[C@@H](CNCc1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC001596792541 985283517 /nfs/dbraw/zinc/28/35/17/985283517.db2.gz PXCSUKFRRYBFRT-KRWDZBQOSA-N -1 3 333.815 3.906 20 0 EHADHM Cc1[nH]c(C(=O)[C@@H](C)N2CCC[C@H](C(C)(C)C)C2)c(C)c1C(=O)[O-] ZINC001599945274 985516845 /nfs/dbraw/zinc/51/68/45/985516845.db2.gz OXUBRVGGEAOJGE-KGLIPLIRSA-N -1 3 334.460 3.659 20 0 EHADHM Cc1[nH]c(C(=O)[C@H](C)N[C@@H](C)[C@H](C)c2ccccc2)c(C)c1C(=O)[O-] ZINC001599946819 985541468 /nfs/dbraw/zinc/54/14/68/985541468.db2.gz WZDLQEQGNSXYSU-WHOFXGATSA-N -1 3 342.439 3.683 20 0 EHADHM C[C@@H]1CN(Cc2cc(C(=O)[O-])cs2)[C@@H](C)CN1Cc1ccccc1 ZINC001594534874 986145610 /nfs/dbraw/zinc/14/56/10/986145610.db2.gz KYKWGZISJDAUMS-CABCVRRESA-N -1 3 344.480 3.541 20 0 EHADHM CCc1ccc([O-])c(C(=O)Nc2ccc(Oc3cnccn3)cc2)c1 ZINC001625805614 1015218938 /nfs/dbraw/zinc/21/89/38/1015218938.db2.gz SITPQDPVBIYTDJ-UHFFFAOYSA-N -1 3 335.363 3.789 20 0 EHADHM CCOc1ccccc1[C@@H](CC)NCc1cc(C(=O)[O-])c(C)n1C ZINC001597171955 986999575 /nfs/dbraw/zinc/99/95/75/986999575.db2.gz ABQVQXSQXBEPGL-QGZVFWFLSA-N -1 3 330.428 3.671 20 0 EHADHM CCSc1ccc([C@H](C)N[C@@H]2CCCn3nc(C(=O)[O-])cc32)cc1 ZINC001597272492 987321514 /nfs/dbraw/zinc/32/15/14/987321514.db2.gz HYWKILBAOCYKPX-SWLSCSKDSA-N -1 3 345.468 3.879 20 0 EHADHM CC[C@H](NCc1ccc(OCC(=O)[O-])cc1)c1ccc(C)c(F)c1 ZINC001597349515 987485604 /nfs/dbraw/zinc/48/56/04/987485604.db2.gz MQSQRDHRXFPTLY-SFHVURJKSA-N -1 3 331.387 3.838 20 0 EHADHM C[C@@H]1CN(Cc2cc(Cl)cc(C(F)(F)F)c2)C[C@H]1CC(=O)[O-] ZINC001599866804 989279039 /nfs/dbraw/zinc/27/90/39/989279039.db2.gz WOBZNFRTCDLHTP-MWLCHTKSSA-N -1 3 335.753 3.901 20 0 EHADHM CCc1oc(CNCCc2csc(C(C)(C)C)n2)cc1C(=O)[O-] ZINC001597805269 989412798 /nfs/dbraw/zinc/41/27/98/989412798.db2.gz APHUVYSZIXQJSS-UHFFFAOYSA-N -1 3 336.457 3.627 20 0 EHADHM CC(C)(NCCOc1ccc(/C=C/C(=O)[O-])cc1)c1ccccc1F ZINC001590870982 990775171 /nfs/dbraw/zinc/77/51/71/990775171.db2.gz UMRFVFGVTDFQCH-FMIVXFBMSA-N -1 3 343.398 3.827 20 0 EHADHM CC(=O)c1ccc(C(=O)N[C@@H](c2ccc(C)o2)C(F)(F)F)cc1[O-] ZINC000655412063 1015584549 /nfs/dbraw/zinc/58/45/49/1015584549.db2.gz PIRGNMLJFCBTKJ-AWEZNQCLSA-N -1 3 341.285 3.530 20 0 EHADHM COc1cccc([C@H](NCc2ccccc2C(F)(F)F)C(=O)[O-])c1 ZINC001599688373 991025253 /nfs/dbraw/zinc/02/52/53/991025253.db2.gz XTEQPMWWYGDFCK-HNNXBMFYSA-N -1 3 339.313 3.630 20 0 EHADHM CC(C)C[C@@H](NCC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001591183952 991985869 /nfs/dbraw/zinc/98/58/69/991985869.db2.gz PYLUJXONRABEDF-GOSISDBHSA-N -1 3 340.423 3.700 20 0 EHADHM CC(C)CN(Cc1csc(C(F)(F)F)n1)CC(C)(C)C(=O)[O-] ZINC001591349334 992334944 /nfs/dbraw/zinc/33/49/44/992334944.db2.gz 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COc1cc(Cl)ccc1CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC001599421573 997604547 /nfs/dbraw/zinc/60/45/47/997604547.db2.gz YQHYTODUEBBPBF-SJKOYZFVSA-N -1 3 333.815 3.900 20 0 EHADHM COc1ccc([C@H](NCc2ccc(C(F)F)c(F)c2)C(=O)[O-])cc1 ZINC001599530771 997647713 /nfs/dbraw/zinc/64/77/13/997647713.db2.gz FZCFJLPOYIYRJZ-HNNXBMFYSA-N -1 3 339.313 3.687 20 0 EHADHM COc1cccc(CN[C@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)c1C ZINC001599531103 997653436 /nfs/dbraw/zinc/65/34/36/997653436.db2.gz KCEKWRYKFDPUHT-KRWDZBQOSA-N -1 3 349.814 3.581 20 0 EHADHM CO[C@H](C)c1nc(CN[C@@H]2CCC[C@H](CCCC(=O)[O-])C2)cs1 ZINC001599043011 999131150 /nfs/dbraw/zinc/13/11/50/999131150.db2.gz SUVPWLWUVZLWQV-MGPQQGTHSA-N -1 3 340.489 3.754 20 0 EHADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cccc2cc[nH]c21 ZINC000343835175 1016470123 /nfs/dbraw/zinc/47/01/23/1016470123.db2.gz TUYYLJBFVZBFEP-UHFFFAOYSA-N -1 3 338.317 3.510 20 0 EHADHM CC[C@H](c1ccccc1)[S@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000155333542 1016498998 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ZINC000536711596 1032190323 /nfs/dbraw/zinc/19/03/23/1032190323.db2.gz AZXLYUYUZPIDSH-UHFFFAOYSA-N -1 3 339.370 3.787 20 0 EHADHM CCC[C@@H](NC(=O)[C@H](C)OC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000008447308 1032230871 /nfs/dbraw/zinc/23/08/71/1032230871.db2.gz ANPLFCOSYBEYJX-KBXCAEBGSA-N -1 3 341.407 3.595 20 0 EHADHM Cc1noc(C2CC2)c1[N-]C(=O)c1cc2sc(N(C)C)nc2s1 ZINC000183938721 1032244275 /nfs/dbraw/zinc/24/42/75/1032244275.db2.gz RWBGAVCIWUUBGZ-UHFFFAOYSA-N -1 3 348.453 3.850 20 0 EHADHM Cc1noc(C)c1C(C)(C)NCc1cccc([O-])c1Br ZINC000459551938 1032268554 /nfs/dbraw/zinc/26/85/54/1032268554.db2.gz UMDJHWBCFYDJOF-UHFFFAOYSA-N -1 3 339.233 3.784 20 0 EHADHM COc1cccc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)c1 ZINC000905022304 1032326788 /nfs/dbraw/zinc/32/67/88/1032326788.db2.gz BGMPGVIONUCUQQ-UHFFFAOYSA-N -1 3 349.412 3.751 20 0 EHADHM Cc1ccc(F)c(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c1 ZINC000485147167 1032336812 /nfs/dbraw/zinc/33/68/12/1032336812.db2.gz YUXIIWFDQLFWMI-UHFFFAOYSA-N -1 3 336.326 3.918 20 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Cc1ccc(-c2nc(CC(=O)Nc3ccc(Cl)cc3)no2)c([O-])c1 ZINC000436894803 1021325779 /nfs/dbraw/zinc/32/57/79/1021325779.db2.gz UCDYHPHJKUMARA-UHFFFAOYSA-N -1 3 343.770 3.585 20 0 EHADHM CCc1ccc(-c2nc(-c3cccnc3OC(C)C)no2)c([O-])c1 ZINC000436882427 1021336008 /nfs/dbraw/zinc/33/60/08/1021336008.db2.gz RUYCUGPWGUZDKM-UHFFFAOYSA-N -1 3 325.368 3.854 20 0 EHADHM COc1cccc(-c2nc(-c3ccnc(C(F)(F)F)c3)no2)c1[O-] ZINC000436883490 1021337002 /nfs/dbraw/zinc/33/70/02/1021337002.db2.gz AEOXREWWXJDCOP-UHFFFAOYSA-N -1 3 337.257 3.532 20 0 EHADHM [O-]c1ccccc1-c1nc(Cc2cc(Br)cs2)no1 ZINC000436890728 1021344006 /nfs/dbraw/zinc/34/40/06/1021344006.db2.gz VIPJZAQEDUBZTQ-UHFFFAOYSA-N -1 3 337.198 3.857 20 0 EHADHM CC[C@@H](CS(=O)(=O)[N-]c1ccc2oc3ccccc3c2c1)OC ZINC000581660520 1021370819 /nfs/dbraw/zinc/37/08/19/1021370819.db2.gz JTRGYZBLDDYSHR-ZDUSSCGKSA-N -1 3 333.409 3.753 20 0 EHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2ccccc2)sc1Cl ZINC000473860485 1021381446 /nfs/dbraw/zinc/38/14/46/1021381446.db2.gz 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AKCIPLIVNBPPNA-UHFFFAOYSA-N -1 3 335.400 3.774 20 0 EHADHM CC(C)CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(O)cc2)cc1 ZINC000426775216 1023037508 /nfs/dbraw/zinc/03/75/08/1023037508.db2.gz RTBVRMDZEJPCIK-LJQANCHMSA-N -1 3 343.423 3.733 20 0 EHADHM O=C([O-])C[C@@H](NCc1cccs1)c1cccc(Br)c1 ZINC000426815017 1023063611 /nfs/dbraw/zinc/06/36/11/1023063611.db2.gz JGEUFUDXTACURN-CYBMUJFWSA-N -1 3 340.242 3.816 20 0 EHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1 ZINC000506994835 1023067595 /nfs/dbraw/zinc/06/75/95/1023067595.db2.gz MDWITDNKXRDCAQ-UHFFFAOYSA-N -1 3 342.420 3.824 20 0 EHADHM [O-]c1cccc(CN2CCN(Cc3cccc(F)c3)CC2)c1Cl ZINC000507143292 1023146781 /nfs/dbraw/zinc/14/67/81/1023146781.db2.gz LGAWURJJWVLWAQ-UHFFFAOYSA-N -1 3 334.822 3.503 20 0 EHADHM C[C@@H](CCOCc1ccccc1)NC(=O)c1cc([O-])ccc1Cl ZINC000290384918 1023176760 /nfs/dbraw/zinc/17/67/60/1023176760.db2.gz BHCNOLCEJKVFJL-ZDUSSCGKSA-N -1 3 333.815 3.771 20 0 EHADHM COc1ccc(OC)c(CN(Cc2c(F)ccc([O-])c2F)C2CC2)c1 ZINC000507208798 1023186565 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CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cccc([O-])c2Cl)C1 ZINC000507954912 1024783199 /nfs/dbraw/zinc/78/31/99/1024783199.db2.gz XETYGSKUCKLRDG-UKRRQHHQSA-N -1 3 338.879 3.562 20 0 EHADHM COc1cccc(C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)c1[O-] ZINC000097127772 1024991306 /nfs/dbraw/zinc/99/13/06/1024991306.db2.gz SOLQSKBBEAPXFP-UHFFFAOYSA-N -1 3 338.363 3.925 20 0 EHADHM CN(CCc1ccc(F)cc1)Cc1cccc([O-])c1Br ZINC001140550844 1025199790 /nfs/dbraw/zinc/19/97/90/1025199790.db2.gz LTOXIIANQKXOIB-UHFFFAOYSA-N -1 3 338.220 3.968 20 0 EHADHM CN(C)[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])c1cccc(Cl)c1 ZINC000521180837 1025256654 /nfs/dbraw/zinc/25/66/54/1025256654.db2.gz IESVGYUSZXJZCW-OAHLLOKOSA-N -1 3 339.222 3.940 20 0 EHADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1c(F)cccc1F ZINC000515521201 1025313338 /nfs/dbraw/zinc/31/33/38/1025313338.db2.gz RRERPYRPBZYTDJ-MRVPVSSYSA-N -1 3 349.761 3.797 20 0 EHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000451164248 1025621910 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COc1ccc(C(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)c([O-])c1 ZINC000436541251 1025873159 /nfs/dbraw/zinc/87/31/59/1025873159.db2.gz YXOOJMLIJSRORS-CQSZACIVSA-N -1 3 343.276 3.573 20 0 EHADHM CC(=O)Nc1cccc2c1CCCN2C(=O)c1ccc(C)c(C)c1[O-] ZINC000436560176 1025883988 /nfs/dbraw/zinc/88/39/88/1025883988.db2.gz ADDLXQXYNGUVFV-UHFFFAOYSA-N -1 3 338.407 3.560 20 0 EHADHM CC(C)c1ccc(C(=O)N[C@@H]2CCc3cn(C(C)C)nc3C2)c([O-])c1 ZINC000436596473 1025916967 /nfs/dbraw/zinc/91/69/67/1025916967.db2.gz MGNUZFRLZKYVKV-MRXNPFEDSA-N -1 3 341.455 3.580 20 0 EHADHM COc1cccc(-c2nc(-c3ccc(N4CCCC4)cc3)no2)c1[O-] ZINC000436581912 1025921434 /nfs/dbraw/zinc/92/14/34/1025921434.db2.gz KACQUXUVAYIKII-UHFFFAOYSA-N -1 3 337.379 3.718 20 0 EHADHM Cc1ccc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)c([O-])c1 ZINC000436584753 1025923918 /nfs/dbraw/zinc/92/39/18/1025923918.db2.gz KDUDAPPYEOPKTB-UHFFFAOYSA-N -1 3 335.363 3.880 20 0 EHADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)c(OC)cc2C)cc1C ZINC000522057895 1025925751 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ZINC000874698115 1137621634 /nfs/dbraw/zinc/62/16/34/1137621634.db2.gz STWPNAGENIHWIS-UHFFFAOYSA-N -1 3 331.397 3.806 20 0 EHADHM CC1(C)COc2ccc(NCc3c(F)ccc([O-])c3F)cc2NC1=O ZINC000877772235 1137689085 /nfs/dbraw/zinc/68/90/85/1137689085.db2.gz UVHFAWSBXBVKNP-UHFFFAOYSA-N -1 3 348.349 3.640 20 0 EHADHM [O-]c1ccccc1-c1nnc(CN2CCC[C@@H]2c2cccc(F)c2)o1 ZINC000877985153 1137698338 /nfs/dbraw/zinc/69/83/38/1137698338.db2.gz UITATPSTBIYPFK-MRXNPFEDSA-N -1 3 339.370 3.918 20 0 EHADHM C[C@@H]1c2c(F)cccc2CCN1Cc1nnc(-c2ccccc2[O-])o1 ZINC000878121805 1137703472 /nfs/dbraw/zinc/70/34/72/1137703472.db2.gz VFQCOGWQWDFDJW-GFCCVEGCSA-N -1 3 339.370 3.701 20 0 EHADHM CC[C@@H](NCc1nnc(-c2ccccc2[O-])o1)c1ccc(OC)cc1 ZINC000878346302 1137711703 /nfs/dbraw/zinc/71/17/03/1137711703.db2.gz HDVRCFQDRPJAIV-MRXNPFEDSA-N -1 3 339.395 3.692 20 0 EHADHM CN(CC[C@H]1CCCC1(F)F)Cc1nc(=O)c2sccc2[n-]1 ZINC000878443882 1137716242 /nfs/dbraw/zinc/71/62/42/1137716242.db2.gz UOCDFWARXKXIKP-SNVBAGLBSA-N -1 3 327.400 3.654 20 0 EHADHM CN(Cc1cc(=O)[n-]c(C2CC2)n1)[C@H](CCc1ccccc1)C(F)F ZINC000626136864 1137796196 /nfs/dbraw/zinc/79/61/96/1137796196.db2.gz LEQBTGSPBPDXQR-MRXNPFEDSA-N -1 3 347.409 3.758 20 0 EHADHM CSc1ccc([O-])c(C(=O)N2CCCC[C@H](C3CCOCC3)C2)c1 ZINC000882917240 1137838458 /nfs/dbraw/zinc/83/84/58/1137838458.db2.gz HQFWNNDVPCTRDU-HNNXBMFYSA-N -1 3 349.496 3.783 20 0 EHADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(SC(F)F)cc1 ZINC000132848573 1137870407 /nfs/dbraw/zinc/87/04/07/1137870407.db2.gz NCXCXYMTCDGCCV-UHFFFAOYSA-N -1 3 327.327 3.776 20 0 EHADHM Cc1oc(-c2ccccc2F)nc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000133168555 1137880085 /nfs/dbraw/zinc/88/00/85/1137880085.db2.gz PKNJRUMUTCZAGM-UHFFFAOYSA-N -1 3 344.317 3.564 20 0 EHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(COc2ccccc2)cc1 ZINC000121156180 1137955584 /nfs/dbraw/zinc/95/55/84/1137955584.db2.gz YZBGJVWYZHRZRN-GOSISDBHSA-N -1 3 342.395 3.845 20 0 EHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(COc2ccccc2)cc1 ZINC000121156180 1137955585 /nfs/dbraw/zinc/95/55/85/1137955585.db2.gz YZBGJVWYZHRZRN-GOSISDBHSA-N -1 3 342.395 3.845 20 0 EHADHM CC(C)(CC(=O)OCc1nnc(-c2ccccc2[O-])o1)CC(F)F ZINC000884681213 1137967815 /nfs/dbraw/zinc/96/78/15/1137967815.db2.gz OFPUXPVEBUQFCN-UHFFFAOYSA-N -1 3 340.326 3.557 20 0 EHADHM Cc1[nH]nc(NC(=O)Cc2ccc([O-])c(F)c2)c1-c1ccc(C)cc1 ZINC001649173169 1138020047 /nfs/dbraw/zinc/02/00/47/1138020047.db2.gz HUZMIFGXUKHYOA-UHFFFAOYSA-N -1 3 339.370 3.719 20 0 EHADHM O=c1cc(CSc2nnc(CCC3CCCCC3)o2)occ1[O-] ZINC000126907976 1138342215 /nfs/dbraw/zinc/34/22/15/1138342215.db2.gz OABZQRLKCDTSFH-UHFFFAOYSA-N -1 3 336.413 3.534 20 0 EHADHM CC[C@@H](CC(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1ccccc1 ZINC000264025407 1138407579 /nfs/dbraw/zinc/40/75/79/1138407579.db2.gz JQPIWLNQQWPGSP-AWEZNQCLSA-N -1 3 346.452 3.581 20 0 EHADHM O=C(CCCc1ccccc1Br)Nc1ncccc1[O-] ZINC000337121338 1138470946 /nfs/dbraw/zinc/47/09/46/1138470946.db2.gz HAHQCTPCHNTAJT-UHFFFAOYSA-N -1 3 335.201 3.511 20 0 EHADHM O=C(NCc1ncccc1[O-])Nc1ccc(OCc2ccccc2)cc1 ZINC000348458646 1138632238 /nfs/dbraw/zinc/63/22/38/1138632238.db2.gz DHYCMVXOMVMAIU-UHFFFAOYSA-N -1 3 349.390 3.688 20 0 EHADHM COc1ccc(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c([O-])c1 ZINC000135266208 1138738966 /nfs/dbraw/zinc/73/89/66/1138738966.db2.gz UIIAPIBPUJDYEK-OCCSQVGLSA-N -1 3 329.371 3.558 20 0 EHADHM O=C(Nc1cc(Br)ccc1[O-])C1CCC(F)(F)CC1 ZINC000179655883 1139772525 /nfs/dbraw/zinc/77/25/25/1139772525.db2.gz UWPQAVMBPQONHG-UHFFFAOYSA-N -1 3 334.160 3.919 20 0 EHADHM Cc1cc(S(=O)(=O)[N-]c2cc(CN3CCCC3)ccc2C)c(C)o1 ZINC000183134744 1140014986 /nfs/dbraw/zinc/01/49/86/1140014986.db2.gz HGLPNVXMGZRKCJ-UHFFFAOYSA-N -1 3 348.468 3.601 20 0 EHADHM COC(=O)c1cnc(SCc2csc(CCC(C)C)n2)[n-]1 ZINC000187586860 1140262743 /nfs/dbraw/zinc/26/27/43/1140262743.db2.gz JIXIAEXOPLBGHH-UHFFFAOYSA-N -1 3 325.459 3.534 20 0 EHADHM COc1ccc(N[C@H]2C[C@H](C)c3ccccc32)cc1[N-]S(C)(=O)=O ZINC000290490283 1140321221 /nfs/dbraw/zinc/32/12/21/1140321221.db2.gz XROWOXCGIFAFJY-LRDDRELGSA-N -1 3 346.452 3.727 20 0 EHADHM CCc1onc(C)c1[N-]C(=O)c1scc(C)c1Br ZINC000190992082 1140429169 /nfs/dbraw/zinc/42/91/69/1140429169.db2.gz LPJZYMGGSIXMHC-UHFFFAOYSA-N -1 3 329.219 3.930 20 0 EHADHM Cc1cccnc1C(F)(F)C(=O)[N-]C1(c2nccs2)CCCC1 ZINC000192558236 1140538716 /nfs/dbraw/zinc/53/87/16/1140538716.db2.gz YEYXKNNOUJBEKE-UHFFFAOYSA-N -1 3 337.395 3.524 20 0 EHADHM O=S(=O)([N-]CCCc1cccc(Cl)c1)c1ccc(F)cc1F ZINC000096743608 1140786609 /nfs/dbraw/zinc/78/66/09/1140786609.db2.gz HECBKXZHOIEDDM-UHFFFAOYSA-N -1 3 345.798 3.529 20 0 EHADHM CO[C@@H](C)c1nc(Cc2noc(-c3ccc(C)cc3[O-])n2)cs1 ZINC000274001338 1141460056 /nfs/dbraw/zinc/46/00/56/1141460056.db2.gz MJUQXVMNYBJWHP-JTQLQIEISA-N -1 3 331.397 3.505 20 0 EHADHM Cc1nc(C)c(CCC(=O)N2CC[C@@H](C)C3(CCCCC3)C2)c(=O)[n-]1 ZINC000274166580 1141481752 /nfs/dbraw/zinc/48/17/52/1141481752.db2.gz AFLIYTTVVWOEPH-CQSZACIVSA-N -1 3 345.487 3.551 20 0 EHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](C)C3(CCCCC3)C2)c1 ZINC000274292094 1141494220 /nfs/dbraw/zinc/49/42/20/1141494220.db2.gz MWHWQBRFOJUULA-CQSZACIVSA-N -1 3 344.455 3.783 20 0 EHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H]2c2ccc(Cl)cc2)c1 ZINC000339166413 1141515792 /nfs/dbraw/zinc/51/57/92/1141515792.db2.gz OXTQBMBJPHDIEL-INIZCTEOSA-N -1 3 344.798 3.591 20 0 EHADHM [O-]c1cc(F)cc(CNc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)c1 ZINC000274445396 1141530493 /nfs/dbraw/zinc/53/04/93/1141530493.db2.gz PSKIHEVUFTYGEM-RBUKOAKNSA-N -1 3 331.387 3.826 20 0 EHADHM O=c1[n-]c(CN2CCC[C@@H]2c2ccc[nH]2)nc2c3ccccc3oc21 ZINC000080026340 217273111 /nfs/dbraw/zinc/27/31/11/217273111.db2.gz IALMHOVMOBKHQO-CQSZACIVSA-N -1 3 334.379 3.747 20 0 EHADHM O=C([O-])C[C@H]1CCCN(CCOc2cc(Cl)ccc2Cl)CC1 ZINC000299742425 563913268 /nfs/dbraw/zinc/91/32/68/563913268.db2.gz HWHTZENEGHYSEV-LBPRGKRZSA-N -1 3 346.254 3.949 20 0 EHADHM CCSc1cccc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736665815 598876822 /nfs/dbraw/zinc/87/68/22/598876822.db2.gz IWXCTNNXIPWQIN-UHFFFAOYSA-N -1 3 340.412 3.623 20 0 EHADHM CCSc1cccc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736665815 598876824 /nfs/dbraw/zinc/87/68/24/598876824.db2.gz IWXCTNNXIPWQIN-UHFFFAOYSA-N -1 3 340.412 3.623 20 0 EHADHM Clc1cc(-c2nnn[n-]2)cnc1Sc1ccc2c(c1)CCC2 ZINC000737557624 598936304 /nfs/dbraw/zinc/93/63/04/598936304.db2.gz GMZHPHZBWYJPPM-UHFFFAOYSA-N -1 3 329.816 3.555 20 0 EHADHM Clc1cc(-c2nn[n-]n2)cnc1Sc1ccc2c(c1)CCC2 ZINC000737557624 598936305 /nfs/dbraw/zinc/93/63/05/598936305.db2.gz GMZHPHZBWYJPPM-UHFFFAOYSA-N -1 3 329.816 3.555 20 0 EHADHM CC[C@H](c1ccccc1)N(CC)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736395123 598940152 /nfs/dbraw/zinc/94/01/52/598940152.db2.gz GSJQEZOHRUSOBK-OAHLLOKOSA-N -1 3 342.834 3.893 20 0 EHADHM CC[C@H](c1ccccc1)N(CC)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736395123 598940154 /nfs/dbraw/zinc/94/01/54/598940154.db2.gz GSJQEZOHRUSOBK-OAHLLOKOSA-N -1 3 342.834 3.893 20 0 EHADHM CCC(CC)c1cc(CNc2cccc(F)c2-c2nnn[n-]2)on1 ZINC000820898142 599045601 /nfs/dbraw/zinc/04/56/01/599045601.db2.gz VEEWPYPJDUTUTL-UHFFFAOYSA-N -1 3 330.367 3.510 20 0 EHADHM CCC(CC)c1cc(CNc2cccc(F)c2-c2nn[n-]n2)on1 ZINC000820898142 599045604 /nfs/dbraw/zinc/04/56/04/599045604.db2.gz VEEWPYPJDUTUTL-UHFFFAOYSA-N -1 3 330.367 3.510 20 0 EHADHM C[C@H]1CCCC[C@@H]1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736270297 599048885 /nfs/dbraw/zinc/04/88/85/599048885.db2.gz JLPPYGCAXVSMRM-VHSXEESVSA-N -1 3 340.353 3.519 20 0 EHADHM C[C@H]1CCCC[C@@H]1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736270297 599048890 /nfs/dbraw/zinc/04/88/90/599048890.db2.gz JLPPYGCAXVSMRM-VHSXEESVSA-N -1 3 340.353 3.519 20 0 EHADHM C[C@H](CNc1c(Cl)cccc1-c1nnn[n-]1)Oc1ccc(F)cc1 ZINC000820275321 599069352 /nfs/dbraw/zinc/06/93/52/599069352.db2.gz OTJWRTZDTJRFIM-SNVBAGLBSA-N -1 3 347.781 3.539 20 0 EHADHM C[C@H](CNc1c(Cl)cccc1-c1nn[n-]n1)Oc1ccc(F)cc1 ZINC000820275321 599069356 /nfs/dbraw/zinc/06/93/56/599069356.db2.gz OTJWRTZDTJRFIM-SNVBAGLBSA-N -1 3 347.781 3.539 20 0 EHADHM CCC(CC)(CNc1ccc(Cl)cc1-c1nnn[n-]1)SC ZINC000820887409 599084867 /nfs/dbraw/zinc/08/48/67/599084867.db2.gz CCYVMSOJYRLKTI-UHFFFAOYSA-N -1 3 325.869 3.854 20 0 EHADHM CCC(CC)(CNc1ccc(Cl)cc1-c1nn[n-]n1)SC ZINC000820887409 599084869 /nfs/dbraw/zinc/08/48/69/599084869.db2.gz CCYVMSOJYRLKTI-UHFFFAOYSA-N -1 3 325.869 3.854 20 0 EHADHM COc1ccccc1[C@H](C)SCc1cccc(-c2nnn[n-]2)c1 ZINC000821882485 599127935 /nfs/dbraw/zinc/12/79/35/599127935.db2.gz CATCSOXZFOCONN-LBPRGKRZSA-N -1 3 326.425 3.870 20 0 EHADHM COc1ccccc1[C@H](C)SCc1cccc(-c2nn[n-]n2)c1 ZINC000821882485 599127938 /nfs/dbraw/zinc/12/79/38/599127938.db2.gz CATCSOXZFOCONN-LBPRGKRZSA-N -1 3 326.425 3.870 20 0 EHADHM CCCCCC[C@@](C)(CC)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000742649685 599139416 /nfs/dbraw/zinc/13/94/16/599139416.db2.gz KTTXZXICUOQWOK-LJQANCHMSA-N -1 3 343.475 3.870 20 0 EHADHM CCCCCC[C@@](C)(CC)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000742649685 599139418 /nfs/dbraw/zinc/13/94/18/599139418.db2.gz KTTXZXICUOQWOK-LJQANCHMSA-N -1 3 343.475 3.870 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](c1ccccc1)C(C)C ZINC000822216074 599149229 /nfs/dbraw/zinc/14/92/29/599149229.db2.gz DSHQPGQLIACYQH-KRWDZBQOSA-N -1 3 335.411 3.553 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](c1ccccc1)C(C)C ZINC000822216074 599149231 /nfs/dbraw/zinc/14/92/31/599149231.db2.gz DSHQPGQLIACYQH-KRWDZBQOSA-N -1 3 335.411 3.553 20 0 EHADHM CCCCCC[C@@H](CC)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736448231 599194967 /nfs/dbraw/zinc/19/49/67/599194967.db2.gz VQHYPAZWGSRUGK-MRXNPFEDSA-N -1 3 343.475 3.822 20 0 EHADHM CCCCCC[C@@H](CC)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736448231 599194968 /nfs/dbraw/zinc/19/49/68/599194968.db2.gz VQHYPAZWGSRUGK-MRXNPFEDSA-N -1 3 343.475 3.822 20 0 EHADHM Cc1c(NC(=O)CC/C=C/c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822065917 607267818 /nfs/dbraw/zinc/26/78/18/607267818.db2.gz BSKNQKQLHRIAOV-BJMVGYQFSA-N -1 3 333.395 3.607 20 0 EHADHM Cc1c(NC(=O)CC/C=C/c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822065917 607267819 /nfs/dbraw/zinc/26/78/19/607267819.db2.gz BSKNQKQLHRIAOV-BJMVGYQFSA-N -1 3 333.395 3.607 20 0 EHADHM O=C([O-])c1ccc(CNCc2ccc(OCC(F)(F)F)cc2)cc1 ZINC000426714089 597136089 /nfs/dbraw/zinc/13/60/89/597136089.db2.gz KXXUPHDVZTYPPQ-UHFFFAOYSA-N -1 3 339.313 3.616 20 0 EHADHM C[C@H](Nc1nc(C(F)(F)F)cs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820461458 607303587 /nfs/dbraw/zinc/30/35/87/607303587.db2.gz KDOIBWPUDZSNHW-ZETCQYMHSA-N -1 3 340.334 3.515 20 0 EHADHM C[C@H](Nc1nc(C(F)(F)F)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461458 607303588 /nfs/dbraw/zinc/30/35/88/607303588.db2.gz KDOIBWPUDZSNHW-ZETCQYMHSA-N -1 3 340.334 3.515 20 0 EHADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000821034653 599271700 /nfs/dbraw/zinc/27/17/00/599271700.db2.gz QTBHJJOVJNHQCA-BBRMVZONSA-N -1 3 342.447 3.608 20 0 EHADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000821034653 599271702 /nfs/dbraw/zinc/27/17/02/599271702.db2.gz QTBHJJOVJNHQCA-BBRMVZONSA-N -1 3 342.447 3.608 20 0 EHADHM Cc1coc(-c2cccc(NCc3ccc(-c4nnn[n-]4)s3)c2)n1 ZINC000822403866 607318643 /nfs/dbraw/zinc/31/86/43/607318643.db2.gz YDKGZCAJYDDYBU-UHFFFAOYSA-N -1 3 338.396 3.504 20 0 EHADHM C[C@@H](Sc1nccn1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736194073 599289669 /nfs/dbraw/zinc/28/96/69/599289669.db2.gz YKSDZMCMDORKKI-CYBMUJFWSA-N -1 3 348.435 3.906 20 0 EHADHM C[C@@H](Sc1nccn1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736194073 599289671 /nfs/dbraw/zinc/28/96/71/599289671.db2.gz YKSDZMCMDORKKI-CYBMUJFWSA-N -1 3 348.435 3.906 20 0 EHADHM Clc1ncc(CSc2ccc(-c3nnn[n-]3)cc2Cl)s1 ZINC000826354329 607844651 /nfs/dbraw/zinc/84/46/51/607844651.db2.gz YEELDAOFICBPQC-UHFFFAOYSA-N -1 3 344.252 3.922 20 0 EHADHM Clc1ncc(CSc2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000826354329 607844652 /nfs/dbraw/zinc/84/46/52/607844652.db2.gz YEELDAOFICBPQC-UHFFFAOYSA-N -1 3 344.252 3.922 20 0 EHADHM Cc1c([C@H](C)NCc2cccc(C(=O)[O-])c2)cnn1-c1ccccc1 ZINC000820944657 598192536 /nfs/dbraw/zinc/19/25/36/598192536.db2.gz JAKBQEVIWRPHAL-AWEZNQCLSA-N -1 3 335.407 3.730 20 0 EHADHM CC(C)CC(=O)Nc1cccc(CNCc2cccc(C(=O)[O-])c2)c1 ZINC000263397420 598203223 /nfs/dbraw/zinc/20/32/23/598203223.db2.gz GZMKVIQCCDVJCA-UHFFFAOYSA-N -1 3 340.423 3.659 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1N[C@H]1CCc2c1cccc2Cl ZINC000737640292 598240501 /nfs/dbraw/zinc/24/05/01/598240501.db2.gz MQHJXHWRLHKIKM-AWEZNQCLSA-N -1 3 329.766 3.759 20 0 EHADHM CC[C@H](COC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736355053 598331426 /nfs/dbraw/zinc/33/14/26/598331426.db2.gz XDOFSKJOQUGFHJ-WIDZWVOGSA-N -1 3 348.406 3.617 20 0 EHADHM CC[C@H](COC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000736355053 598331428 /nfs/dbraw/zinc/33/14/28/598331428.db2.gz XDOFSKJOQUGFHJ-WIDZWVOGSA-N -1 3 348.406 3.617 20 0 EHADHM Clc1ccc(N2CCCc3sccc3C2)c(-c2nnn[n-]2)c1 ZINC000737575628 598427595 /nfs/dbraw/zinc/42/75/95/598427595.db2.gz OGAHGRVRYZMUCE-UHFFFAOYSA-N -1 3 331.832 3.534 20 0 EHADHM Clc1ccc(N2CCCc3sccc3C2)c(-c2nn[n-]n2)c1 ZINC000737575628 598427597 /nfs/dbraw/zinc/42/75/97/598427597.db2.gz OGAHGRVRYZMUCE-UHFFFAOYSA-N -1 3 331.832 3.534 20 0 EHADHM C(=Cc1ccc(-c2nnn[n-]2)cn1)c1nc(-c2ccccc2)cs1 ZINC000735401048 598537045 /nfs/dbraw/zinc/53/70/45/598537045.db2.gz WDJLBRAGWGAMJD-CMDGGOBGSA-N -1 3 332.392 3.556 20 0 EHADHM C(=Cc1ccc(-c2nn[n-]n2)cn1)c1nc(-c2ccccc2)cs1 ZINC000735401048 598537047 /nfs/dbraw/zinc/53/70/47/598537047.db2.gz WDJLBRAGWGAMJD-CMDGGOBGSA-N -1 3 332.392 3.556 20 0 EHADHM Fc1ccc(C(F)(F)F)cc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737649956 598553071 /nfs/dbraw/zinc/55/30/71/598553071.db2.gz MFZXTERETZNMBM-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Fc1ccc(C(F)(F)F)cc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737649956 598553072 /nfs/dbraw/zinc/55/30/72/598553072.db2.gz MFZXTERETZNMBM-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM c1csc(Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000738420786 598557889 /nfs/dbraw/zinc/55/78/89/598557889.db2.gz LSMVJVFAJBZBEQ-UHFFFAOYSA-N -1 3 336.380 3.859 20 0 EHADHM c1csc(Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000738420786 598557890 /nfs/dbraw/zinc/55/78/90/598557890.db2.gz LSMVJVFAJBZBEQ-UHFFFAOYSA-N -1 3 336.380 3.859 20 0 EHADHM Cc1cc(Br)ccc1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000737232147 598675487 /nfs/dbraw/zinc/67/54/87/598675487.db2.gz XQSAZWSDEDPOPR-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM CC(C)(C)CCNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000735602955 598769558 /nfs/dbraw/zinc/76/95/58/598769558.db2.gz TVQRSIHKJLVXTI-UHFFFAOYSA-N -1 3 332.358 3.541 20 0 EHADHM CC(C)(C)CCNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000735602955 598769561 /nfs/dbraw/zinc/76/95/61/598769561.db2.gz TVQRSIHKJLVXTI-UHFFFAOYSA-N -1 3 332.358 3.541 20 0 EHADHM CCC(=CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736303139 598785999 /nfs/dbraw/zinc/78/59/99/598785999.db2.gz IGGCAIFERDGMQS-MRPLLJTBSA-N -1 3 348.406 3.965 20 0 EHADHM CCC(=CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736303139 598786000 /nfs/dbraw/zinc/78/60/00/598786000.db2.gz IGGCAIFERDGMQS-MRPLLJTBSA-N -1 3 348.406 3.965 20 0 EHADHM Cc1ccc2c(c1)CC[C@@H]2Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000737378486 598794886 /nfs/dbraw/zinc/79/48/86/598794886.db2.gz SRFOOCASYYKBBT-HNNXBMFYSA-N -1 3 325.803 3.928 20 0 EHADHM Cc1ccc2c(c1)CC[C@@H]2Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000737378486 598794888 /nfs/dbraw/zinc/79/48/88/598794888.db2.gz SRFOOCASYYKBBT-HNNXBMFYSA-N -1 3 325.803 3.928 20 0 EHADHM C[C@H](Nc1ccc(Br)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736136140 599306592 /nfs/dbraw/zinc/30/65/92/599306592.db2.gz CRWPRGUYCAGWJT-JTQLQIEISA-N -1 3 344.216 3.802 20 0 EHADHM C[C@H](Nc1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736136140 599306595 /nfs/dbraw/zinc/30/65/95/599306595.db2.gz CRWPRGUYCAGWJT-JTQLQIEISA-N -1 3 344.216 3.802 20 0 EHADHM C[C@H](Nc1ccc2ccc(F)cc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736135563 599323017 /nfs/dbraw/zinc/32/30/17/599323017.db2.gz BKCALASLFHYXJL-NSHDSACASA-N -1 3 334.358 3.727 20 0 EHADHM C[C@H](Nc1ccc2ccc(F)cc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736135563 599323019 /nfs/dbraw/zinc/32/30/19/599323019.db2.gz BKCALASLFHYXJL-NSHDSACASA-N -1 3 334.358 3.727 20 0 EHADHM FC(F)Oc1cccc(CSc2ccccc2-c2nnn[n-]2)c1 ZINC000822736559 599350626 /nfs/dbraw/zinc/35/06/26/599350626.db2.gz GPXNWLHYBPXZRK-UHFFFAOYSA-N -1 3 334.351 3.760 20 0 EHADHM FC(F)Oc1cccc(CSc2ccccc2-c2nn[n-]n2)c1 ZINC000822736559 599350628 /nfs/dbraw/zinc/35/06/28/599350628.db2.gz GPXNWLHYBPXZRK-UHFFFAOYSA-N -1 3 334.351 3.760 20 0 EHADHM C[C@@H](Nc1cc(Cl)ccc1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000736140326 599394560 /nfs/dbraw/zinc/39/45/60/599394560.db2.gz UDFPSEOWNAFKJI-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@@H](Nc1cc(Cl)ccc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000736140326 599394561 /nfs/dbraw/zinc/39/45/61/599394561.db2.gz UDFPSEOWNAFKJI-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM CC(C)Oc1ccc(NCc2cc(F)ccc2F)cc1-c1nnn[n-]1 ZINC000820174710 607373030 /nfs/dbraw/zinc/37/30/30/607373030.db2.gz WNFPABYELLEXSI-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM CC(C)Oc1ccc(NCc2cc(F)ccc2F)cc1-c1nn[n-]n1 ZINC000820174710 607373032 /nfs/dbraw/zinc/37/30/32/607373032.db2.gz WNFPABYELLEXSI-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM C[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)c1ccc(F)cc1Cl ZINC000736139654 599440003 /nfs/dbraw/zinc/44/00/03/599440003.db2.gz WJUHOLCUQUQPKY-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)c1ccc(F)cc1Cl ZINC000736139654 599440006 /nfs/dbraw/zinc/44/00/06/599440006.db2.gz WJUHOLCUQUQPKY-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM CC(C)Oc1ccccc1CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000820177823 599487428 /nfs/dbraw/zinc/48/74/28/599487428.db2.gz BEWXYILEILUQLU-UHFFFAOYSA-N -1 3 343.818 3.919 20 0 EHADHM CC(C)Oc1ccccc1CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000820177823 599487430 /nfs/dbraw/zinc/48/74/30/599487430.db2.gz BEWXYILEILUQLU-UHFFFAOYSA-N -1 3 343.818 3.919 20 0 EHADHM C[C@H]1CCCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CC1 ZINC000820710003 599502925 /nfs/dbraw/zinc/50/29/25/599502925.db2.gz NCEDLJFQFHHZRD-NSHDSACASA-N -1 3 342.834 3.695 20 0 EHADHM C[C@H]1CCCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CC1 ZINC000820710003 599502928 /nfs/dbraw/zinc/50/29/28/599502928.db2.gz NCEDLJFQFHHZRD-NSHDSACASA-N -1 3 342.834 3.695 20 0 EHADHM C[C@H](NC(=O)c1ccc2ccccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820396312 599525759 /nfs/dbraw/zinc/52/57/59/599525759.db2.gz DYVDTXZQCMUSGS-ZDUSSCGKSA-N -1 3 343.390 3.511 20 0 EHADHM C[C@H](NC(=O)c1ccc2ccccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820396312 599525760 /nfs/dbraw/zinc/52/57/60/599525760.db2.gz DYVDTXZQCMUSGS-ZDUSSCGKSA-N -1 3 343.390 3.511 20 0 EHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000737422236 599526973 /nfs/dbraw/zinc/52/69/73/599526973.db2.gz MNGUPSATEKKSAW-UKRRQHHQSA-N -1 3 337.402 3.697 20 0 EHADHM CCN(C(=O)CCC(C)(C)C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501838 599542425 /nfs/dbraw/zinc/54/24/25/599542425.db2.gz HCQGBDSXHNMPIZ-CYBMUJFWSA-N -1 3 329.448 3.603 20 0 EHADHM CCN(C(=O)CCC(C)(C)C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736501838 599542427 /nfs/dbraw/zinc/54/24/27/599542427.db2.gz HCQGBDSXHNMPIZ-CYBMUJFWSA-N -1 3 329.448 3.603 20 0 EHADHM CC[C@@H](CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1)c1ccc(C)cc1 ZINC000736335167 599543914 /nfs/dbraw/zinc/54/39/14/599543914.db2.gz YNIZJZVSEATRHU-HNNXBMFYSA-N -1 3 349.438 3.722 20 0 EHADHM CC[C@@H](CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1)c1ccc(C)cc1 ZINC000736335167 599543916 /nfs/dbraw/zinc/54/39/16/599543916.db2.gz YNIZJZVSEATRHU-HNNXBMFYSA-N -1 3 349.438 3.722 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)CC/C=C/c1ccccc1 ZINC000737292620 599545211 /nfs/dbraw/zinc/54/52/11/599545211.db2.gz WLEDYEDJMVWXSZ-WEVVVXLNSA-N -1 3 333.395 3.607 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)CC/C=C/c1ccccc1 ZINC000737292620 599545213 /nfs/dbraw/zinc/54/52/13/599545213.db2.gz WLEDYEDJMVWXSZ-WEVVVXLNSA-N -1 3 333.395 3.607 20 0 EHADHM O=C(/C=C\C1CC1)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000822923360 599670163 /nfs/dbraw/zinc/67/01/63/599670163.db2.gz QPHXKPKTEKZKMD-XFXZXTDPSA-N -1 3 346.390 3.543 20 0 EHADHM O=C(/C=C\C1CC1)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000822923360 599670164 /nfs/dbraw/zinc/67/01/64/599670164.db2.gz QPHXKPKTEKZKMD-XFXZXTDPSA-N -1 3 346.390 3.543 20 0 EHADHM COc1ccc([C@@H](NCc2ccccc2C(F)(F)F)C(=O)[O-])cc1 ZINC000737972430 599859706 /nfs/dbraw/zinc/85/97/06/599859706.db2.gz WMDGFDUOTJGYRA-OAHLLOKOSA-N -1 3 339.313 3.630 20 0 EHADHM CN(Cc1cc(Cl)nc(Cl)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737450787 600212684 /nfs/dbraw/zinc/21/26/84/600212684.db2.gz CGPGNAPIKASVLA-CQSZACIVSA-N -1 3 325.195 3.646 20 0 EHADHM CC(C)N(CCC(=O)[O-])CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000736465474 600221442 /nfs/dbraw/zinc/22/14/42/600221442.db2.gz HTLBHQAJILZQPA-UHFFFAOYSA-N -1 3 346.471 3.537 20 0 EHADHM C[C@H](c1ccccc1Br)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405363576 600302155 /nfs/dbraw/zinc/30/21/55/600302155.db2.gz RHWBVWLOUFOOFB-YPMHNXCESA-N -1 3 338.245 3.697 20 0 EHADHM CCc1ccc([C@H](C)CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825704604 607436906 /nfs/dbraw/zinc/43/69/06/607436906.db2.gz KIJCCORQXMTGFR-CQSZACIVSA-N -1 3 349.438 3.586 20 0 EHADHM CCc1ccc([C@H](C)CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825704604 607436907 /nfs/dbraw/zinc/43/69/07/607436907.db2.gz KIJCCORQXMTGFR-CQSZACIVSA-N -1 3 349.438 3.586 20 0 EHADHM O=C([O-])[C@H](N[C@H]1CCSc2c(F)cccc21)c1ccc(F)cc1 ZINC000739505611 600420413 /nfs/dbraw/zinc/42/04/13/600420413.db2.gz CWQIUHVQPFRRCH-LSDHHAIUSA-N -1 3 335.375 3.917 20 0 EHADHM O=C([O-])[C@H](N[C@@H]1CCSc2c(F)cccc21)c1ccc(F)cc1 ZINC000739505610 600420431 /nfs/dbraw/zinc/42/04/31/600420431.db2.gz CWQIUHVQPFRRCH-HUUCEWRRSA-N -1 3 335.375 3.917 20 0 EHADHM CC(C)CC(=O)Nc1cccc(CN[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000736401739 600428597 /nfs/dbraw/zinc/42/85/97/600428597.db2.gz LMKLYUIOTIDHBG-IBGZPJMESA-N -1 3 340.423 3.587 20 0 EHADHM O=C([O-])C1(NCc2coc(-c3cccc(Cl)c3)n2)CCCCC1 ZINC000739513743 600627606 /nfs/dbraw/zinc/62/76/06/600627606.db2.gz LJZXGQWYHDKDCP-UHFFFAOYSA-N -1 3 334.803 3.872 20 0 EHADHM CCC[C@@](C)(NCc1csc(-c2ccccc2OC)n1)C(=O)[O-] ZINC000736963137 600713877 /nfs/dbraw/zinc/71/38/77/600713877.db2.gz RWQGYWCOOUNZJK-QGZVFWFLSA-N -1 3 334.441 3.552 20 0 EHADHM O=C([O-])[C@H](NCCOc1ccc2ccccc2c1)c1ccccc1F ZINC000833165416 600734828 /nfs/dbraw/zinc/73/48/28/600734828.db2.gz JBBYETYVDQAOHR-LJQANCHMSA-N -1 3 339.366 3.773 20 0 EHADHM CN(Cc1c(C(=O)[O-])sc2cccc(F)c21)C[C@H]1CCCCO1 ZINC000320503746 600820663 /nfs/dbraw/zinc/82/06/63/600820663.db2.gz JJEFWFUKNSYMLL-LLVKDONJSA-N -1 3 337.416 3.740 20 0 EHADHM COc1ccc(CN2CCC[C@@H](C(=O)[O-])C2)cc1SC(F)(F)F ZINC000164639830 600822599 /nfs/dbraw/zinc/82/25/99/600822599.db2.gz YGQTXVIYNSQGKA-LLVKDONJSA-N -1 3 349.374 3.604 20 0 EHADHM C[C@@H]1CCN(CCOc2cccc(C(=O)[O-])c2)[C@H](c2ccco2)C1 ZINC000580898360 600862091 /nfs/dbraw/zinc/86/20/91/600862091.db2.gz XSDIZMOYCLKPBQ-PBHICJAKSA-N -1 3 329.396 3.830 20 0 EHADHM CC(C)OCCCN(C)[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000565786527 601014766 /nfs/dbraw/zinc/01/47/66/601014766.db2.gz DJTQGQBZDALLSA-AWEZNQCLSA-N -1 3 334.243 3.866 20 0 EHADHM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1CCC2(C1)CCOCC2 ZINC000572967854 601050397 /nfs/dbraw/zinc/05/03/97/601050397.db2.gz UAEDVKYUZFMMSZ-AWEZNQCLSA-N -1 3 344.238 3.622 20 0 EHADHM COCCN(C/C=C(/C)C(=O)[O-])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000831725465 601160346 /nfs/dbraw/zinc/16/03/46/601160346.db2.gz YBHZOUXAMQXKCP-OTAKNEKHSA-N -1 3 345.361 3.746 20 0 EHADHM O=C([O-])c1sccc1CN1CC[C@@H](OCCCc2ccccc2)C1 ZINC000582551283 601491208 /nfs/dbraw/zinc/49/12/08/601491208.db2.gz CPCOHQIAWFHVBE-QGZVFWFLSA-N -1 3 345.464 3.670 20 0 EHADHM CCc1ccc(-c2nc(CN3C[C@H](C)[C@H](C(=O)[O-])C3)cs2)cc1 ZINC000830229466 601507306 /nfs/dbraw/zinc/50/73/06/601507306.db2.gz UYJYRPZMYMYBKT-BLLLJJGKSA-N -1 3 330.453 3.525 20 0 EHADHM c1cc(-c2nnn[n-]2)sc1CNc1ccccc1N1CCCCC1 ZINC000826522065 607524197 /nfs/dbraw/zinc/52/41/97/607524197.db2.gz KXAHKILOGBUEOT-UHFFFAOYSA-N -1 3 340.456 3.531 20 0 EHADHM COCc1cccc(CSCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826164878 607535558 /nfs/dbraw/zinc/53/55/58/607535558.db2.gz VDDVGAATWMOVPU-UHFFFAOYSA-N -1 3 344.415 3.586 20 0 EHADHM COCc1cccc(CSCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826164878 607535560 /nfs/dbraw/zinc/53/55/60/607535560.db2.gz VDDVGAATWMOVPU-UHFFFAOYSA-N -1 3 344.415 3.586 20 0 EHADHM CCc1nc2c(s1)[C@@H](N(C)Cc1cccc(C(=O)[O-])c1)CCC2 ZINC000263459467 602053600 /nfs/dbraw/zinc/05/36/00/602053600.db2.gz IKVRJAGRZBZFLE-HNNXBMFYSA-N -1 3 330.453 3.913 20 0 EHADHM COc1cc(OC)cc([C@@H](N[C@H](C)c2ccc(F)c(C)c2)C(=O)[O-])c1 ZINC000832050122 602176095 /nfs/dbraw/zinc/17/60/95/602176095.db2.gz MSICYRQWIVKQFR-KZULUSFZSA-N -1 3 347.386 3.628 20 0 EHADHM C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737722770 602533671 /nfs/dbraw/zinc/53/36/71/602533671.db2.gz XBQPMCUEOILZNR-NSHDSACASA-N -1 3 330.350 3.841 20 0 EHADHM C[C@H](NCc1ccc(C(=O)[O-])o1)[C@H](C)c1nc2ccccc2s1 ZINC000827740777 604330360 /nfs/dbraw/zinc/33/03/60/604330360.db2.gz BXAKSAUNGPACFS-QWRGUYRKSA-N -1 3 330.409 3.869 20 0 EHADHM C[C@H](c1cccc(Br)c1)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405357657 604347768 /nfs/dbraw/zinc/34/77/68/604347768.db2.gz LIJOSRNNVJGTIY-RISCZKNCSA-N -1 3 338.245 3.697 20 0 EHADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1cccc2ccsc21 ZINC000826371520 607687891 /nfs/dbraw/zinc/68/78/91/607687891.db2.gz JASULGFMQVHXTF-UHFFFAOYSA-N -1 3 325.372 3.833 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1cccc2ccsc21 ZINC000826371520 607687893 /nfs/dbraw/zinc/68/78/93/607687893.db2.gz JASULGFMQVHXTF-UHFFFAOYSA-N -1 3 325.372 3.833 20 0 EHADHM C[C@H](NC(=O)[O-])c1ccc(CNCc2cnc3ccccc3c2)cc1 ZINC000825402317 604413141 /nfs/dbraw/zinc/41/31/41/604413141.db2.gz JWGHXGYOPDMURC-AWEZNQCLSA-N -1 3 335.407 3.853 20 0 EHADHM C[C@H](NC(=O)CC1CCC(C)(C)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824479405 607693323 /nfs/dbraw/zinc/69/33/23/607693323.db2.gz MZLRMOUTVGOKKE-ZDUSSCGKSA-N -1 3 341.459 3.650 20 0 EHADHM C[C@H](NC(=O)CC1CCC(C)(C)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824479405 607693324 /nfs/dbraw/zinc/69/33/24/607693324.db2.gz MZLRMOUTVGOKKE-ZDUSSCGKSA-N -1 3 341.459 3.650 20 0 EHADHM Cc1cc(CN2CC[C@H]2c2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000832883668 604476867 /nfs/dbraw/zinc/47/68/67/604476867.db2.gz XSRVOHQKLQQWJD-SFHVURJKSA-N -1 3 325.408 3.714 20 0 EHADHM C[C@@H](Oc1ccc(CN(Cc2cccc(F)c2)C2CC2)cc1)C(=O)[O-] ZINC000833539489 604532638 /nfs/dbraw/zinc/53/26/38/604532638.db2.gz ZNJNTXOQRDDSBF-CQSZACIVSA-N -1 3 343.398 3.842 20 0 EHADHM C[C@H](c1ccncc1)N(C)CCOc1ccc(C(=O)[O-])cc1Cl ZINC000833550193 604719672 /nfs/dbraw/zinc/71/96/72/604719672.db2.gz KSMZXCNAAOGZKG-GFCCVEGCSA-N -1 3 334.803 3.505 20 0 EHADHM C[C@@H](c1nc(-c2ccccc2)no1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000652499893 604928079 /nfs/dbraw/zinc/92/80/79/604928079.db2.gz QYEPDEGLWJQLRV-DZGCQCFKSA-N -1 3 343.427 3.620 20 0 EHADHM CCN(C[C@H]1CCCO1)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000582246680 605043519 /nfs/dbraw/zinc/04/35/19/605043519.db2.gz MNTHFZBWEOSKRI-BXUZGUMPSA-N -1 3 332.227 3.620 20 0 EHADHM C[C@]1(NCc2ncc(-c3ccccc3F)o2)CCCC[C@H]1C(=O)[O-] ZINC000833567976 605062854 /nfs/dbraw/zinc/06/28/54/605062854.db2.gz CBVYFSFYVXEPDT-UGSOOPFHSA-N -1 3 332.375 3.604 20 0 EHADHM CC(C)OC1CCN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC000576233968 605264169 /nfs/dbraw/zinc/26/41/69/605264169.db2.gz PFKDCRDIVQJPKS-HNNXBMFYSA-N -1 3 345.361 3.721 20 0 EHADHM C[C@H](NC(=O)CC1CCC(C)(C)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824479186 607745580 /nfs/dbraw/zinc/74/55/80/607745580.db2.gz MFGDKWXMPHMCTF-ZDUSSCGKSA-N -1 3 341.459 3.650 20 0 EHADHM C[C@H](NC(=O)CC1CCC(C)(C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824479186 607745581 /nfs/dbraw/zinc/74/55/81/607745581.db2.gz MFGDKWXMPHMCTF-ZDUSSCGKSA-N -1 3 341.459 3.650 20 0 EHADHM CC(C)N(CCc1nccs1)Cc1cc(C(=O)[O-])ccc1Cl ZINC000516576628 605843240 /nfs/dbraw/zinc/84/32/40/605843240.db2.gz XAYJCNOFUNRCMY-UHFFFAOYSA-N -1 3 338.860 3.948 20 0 EHADHM CS[C@@H]1CCC[C@@H](Nc2nc3ccccc3cc2-c2nnn[n-]2)C1 ZINC000821956501 606088440 /nfs/dbraw/zinc/08/84/40/606088440.db2.gz QBSRBIXXRKPMMW-CHWSQXEVSA-N -1 3 340.456 3.501 20 0 EHADHM CS[C@@H]1CCC[C@@H](Nc2nc3ccccc3cc2-c2nn[n-]n2)C1 ZINC000821956501 606088441 /nfs/dbraw/zinc/08/84/41/606088441.db2.gz QBSRBIXXRKPMMW-CHWSQXEVSA-N -1 3 340.456 3.501 20 0 EHADHM CC(C)c1cnc(S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1C ZINC000820198502 606172838 /nfs/dbraw/zinc/17/28/38/606172838.db2.gz YMYADWAORUEVKE-NSHDSACASA-N -1 3 328.445 3.577 20 0 EHADHM CC(C)c1cnc(S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1C ZINC000820198502 606172840 /nfs/dbraw/zinc/17/28/40/606172840.db2.gz YMYADWAORUEVKE-NSHDSACASA-N -1 3 328.445 3.577 20 0 EHADHM CC(C)c1ccc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c(C(C)C)c1 ZINC000820192268 606313377 /nfs/dbraw/zinc/31/33/77/606313377.db2.gz HOPHUDHVYLLNFA-UHFFFAOYSA-N -1 3 338.415 3.694 20 0 EHADHM CC(C)c1ccc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c(C(C)C)c1 ZINC000820192268 606313378 /nfs/dbraw/zinc/31/33/78/606313378.db2.gz HOPHUDHVYLLNFA-UHFFFAOYSA-N -1 3 338.415 3.694 20 0 EHADHM Cc1cc(OC(C)C)ccc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000822210478 606411801 /nfs/dbraw/zinc/41/18/01/606411801.db2.gz DKSSQTRQSWOLEG-UHFFFAOYSA-N -1 3 329.429 3.636 20 0 EHADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSc1ccccc1 ZINC000822732123 606589941 /nfs/dbraw/zinc/58/99/41/606589941.db2.gz IMFZPVPHCNNPFG-UHFFFAOYSA-N -1 3 334.351 3.760 20 0 EHADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSc1ccccc1 ZINC000822732123 606589943 /nfs/dbraw/zinc/58/99/43/606589943.db2.gz IMFZPVPHCNNPFG-UHFFFAOYSA-N -1 3 334.351 3.760 20 0 EHADHM Cc1cc(NCc2ccccc2-c2nnn[n-]2)ccc1Br ZINC000822209433 606645740 /nfs/dbraw/zinc/64/57/40/606645740.db2.gz IXWCDIAPGTUTNT-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM Cc1cc(NCc2ccccc2-c2nn[n-]n2)ccc1Br ZINC000822209433 606645741 /nfs/dbraw/zinc/64/57/41/606645741.db2.gz IXWCDIAPGTUTNT-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM CC(C)CC1(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC000820062732 606684070 /nfs/dbraw/zinc/68/40/70/606684070.db2.gz NXNNWYUTFRHBBD-CQSZACIVSA-N -1 3 341.459 3.650 20 0 EHADHM CC(C)CC1(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC000820062732 606684071 /nfs/dbraw/zinc/68/40/71/606684071.db2.gz NXNNWYUTFRHBBD-CQSZACIVSA-N -1 3 341.459 3.650 20 0 EHADHM CC[C@@H](C)c1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000820882312 606685875 /nfs/dbraw/zinc/68/58/75/606685875.db2.gz PEZYIQATQXNVEZ-LLVKDONJSA-N -1 3 339.374 3.772 20 0 EHADHM CC[C@@H](C)c1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000820882312 606685876 /nfs/dbraw/zinc/68/58/76/606685876.db2.gz PEZYIQATQXNVEZ-LLVKDONJSA-N -1 3 339.374 3.772 20 0 EHADHM Cc1nc(CSCc2ccc(-c3nnn[n-]3)cc2F)sc1C ZINC000822444623 606695252 /nfs/dbraw/zinc/69/52/52/606695252.db2.gz VVGUDFQXZSOXLU-UHFFFAOYSA-N -1 3 335.433 3.513 20 0 EHADHM Cc1nc(CSCc2ccc(-c3nn[n-]n3)cc2F)sc1C ZINC000822444623 606695253 /nfs/dbraw/zinc/69/52/53/606695253.db2.gz VVGUDFQXZSOXLU-UHFFFAOYSA-N -1 3 335.433 3.513 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1nc(C(C)(C)C)cs1 ZINC000822221556 606708241 /nfs/dbraw/zinc/70/82/41/606708241.db2.gz URSKTXAWJUIIAB-UHFFFAOYSA-N -1 3 328.445 3.541 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1nc(C(C)(C)C)cs1 ZINC000822221556 606708243 /nfs/dbraw/zinc/70/82/43/606708243.db2.gz URSKTXAWJUIIAB-UHFFFAOYSA-N -1 3 328.445 3.541 20 0 EHADHM Fc1cccc([C@@H](Nc2ccc(-c3nnn[n-]3)nc2)c2ccccc2)c1 ZINC000822787348 606733855 /nfs/dbraw/zinc/73/38/55/606733855.db2.gz ZIDPDTPWZKFYIO-SFHVURJKSA-N -1 3 346.369 3.602 20 0 EHADHM Fc1cccc([C@@H](Nc2ccc(-c3nn[n-]n3)nc2)c2ccccc2)c1 ZINC000822787348 606733856 /nfs/dbraw/zinc/73/38/56/606733856.db2.gz ZIDPDTPWZKFYIO-SFHVURJKSA-N -1 3 346.369 3.602 20 0 EHADHM CS[C@H]1CC[C@H](Nc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C1 ZINC000821950542 606940625 /nfs/dbraw/zinc/94/06/25/606940625.db2.gz OMSBRXJIRPWQOS-UWVGGRQHSA-N -1 3 343.378 3.582 20 0 EHADHM CS[C@H]1CC[C@H](Nc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000821950542 606940626 /nfs/dbraw/zinc/94/06/26/606940626.db2.gz OMSBRXJIRPWQOS-UWVGGRQHSA-N -1 3 343.378 3.582 20 0 EHADHM CC(C)C[C@H](C)CC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820050444 606960056 /nfs/dbraw/zinc/96/00/56/606960056.db2.gz AEOQOXPVSJLDKN-NSHDSACASA-N -1 3 335.839 3.555 20 0 EHADHM CC(C)C[C@H](C)CC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820050444 606960057 /nfs/dbraw/zinc/96/00/57/606960057.db2.gz AEOQOXPVSJLDKN-NSHDSACASA-N -1 3 335.839 3.555 20 0 EHADHM c1ccc2c(c1)OC1(CCCC1)C[C@@H]2Nc1ccc(-c2nnn[n-]2)cn1 ZINC000823802361 607034185 /nfs/dbraw/zinc/03/41/85/607034185.db2.gz KWMATUORUPYWSU-HNNXBMFYSA-N -1 3 348.410 3.510 20 0 EHADHM c1ccc2c(c1)OC1(CCCC1)C[C@@H]2Nc1ccc(-c2nn[n-]n2)cn1 ZINC000823802361 607034186 /nfs/dbraw/zinc/03/41/86/607034186.db2.gz KWMATUORUPYWSU-HNNXBMFYSA-N -1 3 348.410 3.510 20 0 EHADHM CC[C@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000820981770 607199120 /nfs/dbraw/zinc/19/91/20/607199120.db2.gz WXLMXJALJGTWHK-NSHDSACASA-N -1 3 348.838 3.564 20 0 EHADHM CC[C@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000820981770 607199121 /nfs/dbraw/zinc/19/91/21/607199121.db2.gz WXLMXJALJGTWHK-NSHDSACASA-N -1 3 348.838 3.564 20 0 EHADHM Fc1cc(-c2nnn[n-]2)ccc1CSCCCCC(F)(F)F ZINC000826372254 607786075 /nfs/dbraw/zinc/78/60/75/607786075.db2.gz OPTIMQLNAOCECV-UHFFFAOYSA-N -1 3 334.342 3.972 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1CSCCCCC(F)(F)F ZINC000826372254 607786076 /nfs/dbraw/zinc/78/60/76/607786076.db2.gz OPTIMQLNAOCECV-UHFFFAOYSA-N -1 3 334.342 3.972 20 0 EHADHM CC1(C)CCC[C@H](CC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000824801715 607927112 /nfs/dbraw/zinc/92/71/12/607927112.db2.gz GZBWRFBHLNCTPA-LLVKDONJSA-N -1 3 331.395 3.551 20 0 EHADHM CC1(C)CCC[C@H](CC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000824801715 607927113 /nfs/dbraw/zinc/92/71/13/607927113.db2.gz GZBWRFBHLNCTPA-LLVKDONJSA-N -1 3 331.395 3.551 20 0 EHADHM CC[C@@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1c(C)noc1C ZINC000825149163 607936606 /nfs/dbraw/zinc/93/66/06/607936606.db2.gz VSPCNXUBGYDULG-CQSZACIVSA-N -1 3 349.398 3.583 20 0 EHADHM CC[C@@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1c(C)noc1C ZINC000825149163 607936607 /nfs/dbraw/zinc/93/66/07/607936607.db2.gz VSPCNXUBGYDULG-CQSZACIVSA-N -1 3 349.398 3.583 20 0 EHADHM CCc1nc2sccc2c(Sc2cccc(-c3nnn[n-]3)c2)n1 ZINC000825749322 607966498 /nfs/dbraw/zinc/96/64/98/607966498.db2.gz BUCRFZRCRGAVLZ-UHFFFAOYSA-N -1 3 340.437 3.585 20 0 EHADHM CCc1nc2sccc2c(Sc2cccc(-c3nn[n-]n3)c2)n1 ZINC000825749322 607966499 /nfs/dbraw/zinc/96/64/99/607966499.db2.gz BUCRFZRCRGAVLZ-UHFFFAOYSA-N -1 3 340.437 3.585 20 0 EHADHM CC(=Cc1cccc(Cl)c1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000823943623 607999808 /nfs/dbraw/zinc/99/98/08/607999808.db2.gz QPPZHMWKMOCJHB-PKNBQFBNSA-N -1 3 339.786 3.562 20 0 EHADHM CC(=Cc1cccc(Cl)c1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000823943623 607999809 /nfs/dbraw/zinc/99/98/09/607999809.db2.gz QPPZHMWKMOCJHB-PKNBQFBNSA-N -1 3 339.786 3.562 20 0 EHADHM Cc1c(NC(=O)c2cccc(-c3ccoc3)c2)cccc1-c1nnn[n-]1 ZINC000826242212 608025761 /nfs/dbraw/zinc/02/57/61/608025761.db2.gz FOPDRGUGYFYDBH-UHFFFAOYSA-N -1 3 345.362 3.687 20 0 EHADHM Cc1c(NC(=O)c2cccc(-c3ccoc3)c2)cccc1-c1nn[n-]n1 ZINC000826242212 608025762 /nfs/dbraw/zinc/02/57/62/608025762.db2.gz FOPDRGUGYFYDBH-UHFFFAOYSA-N -1 3 345.362 3.687 20 0 EHADHM Cc1c(Cl)cc(F)c(NCc2ccc(-c3nnn[n-]3)cc2)c1F ZINC000826236266 608048822 /nfs/dbraw/zinc/04/88/22/608048822.db2.gz FQCWEWNXNIBZTI-UHFFFAOYSA-N -1 3 335.745 3.719 20 0 EHADHM Cc1c(Cl)cc(F)c(NCc2ccc(-c3nn[n-]n3)cc2)c1F ZINC000826236266 608048823 /nfs/dbraw/zinc/04/88/23/608048823.db2.gz FQCWEWNXNIBZTI-UHFFFAOYSA-N -1 3 335.745 3.719 20 0 EHADHM c1ccc(CSCCCSc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826522120 608055367 /nfs/dbraw/zinc/05/53/67/608055367.db2.gz MRIKOFXCSNWLJJ-UHFFFAOYSA-N -1 3 343.481 3.677 20 0 EHADHM c1ccc(CSCCCSc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826522120 608055368 /nfs/dbraw/zinc/05/53/68/608055368.db2.gz MRIKOFXCSNWLJJ-UHFFFAOYSA-N -1 3 343.481 3.677 20 0 EHADHM Clc1cccc(SCc2noc3c2CCCC3)c1-c1nnn[n-]1 ZINC000826353090 608207528 /nfs/dbraw/zinc/20/75/28/608207528.db2.gz ARABMGLFTDPFOC-UHFFFAOYSA-N -1 3 347.831 3.679 20 0 EHADHM Clc1cccc(SCc2noc3c2CCCC3)c1-c1nn[n-]n1 ZINC000826353090 608207529 /nfs/dbraw/zinc/20/75/29/608207529.db2.gz ARABMGLFTDPFOC-UHFFFAOYSA-N -1 3 347.831 3.679 20 0 EHADHM CSc1ccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000826230999 608223910 /nfs/dbraw/zinc/22/39/10/608223910.db2.gz SCAJMGJCWLTLRE-UHFFFAOYSA-N -1 3 348.435 3.749 20 0 EHADHM CSc1ccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000826230999 608223911 /nfs/dbraw/zinc/22/39/11/608223911.db2.gz SCAJMGJCWLTLRE-UHFFFAOYSA-N -1 3 348.435 3.749 20 0 EHADHM COc1ccc([C@H](C)Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000826188619 608225543 /nfs/dbraw/zinc/22/55/43/608225543.db2.gz BOBAIUZBPWIMIH-LBPRGKRZSA-N -1 3 346.394 3.597 20 0 EHADHM COc1ccc([C@H](C)Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000826188619 608225545 /nfs/dbraw/zinc/22/55/45/608225545.db2.gz BOBAIUZBPWIMIH-LBPRGKRZSA-N -1 3 346.394 3.597 20 0 EHADHM CS[C@H]1CCC[C@H](Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)C1 ZINC000826227278 608228733 /nfs/dbraw/zinc/22/87/33/608228733.db2.gz ORCABZATMOJYIY-KBPBESRZSA-N -1 3 340.456 3.501 20 0 EHADHM CS[C@H]1CCC[C@H](Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)C1 ZINC000826227278 608228735 /nfs/dbraw/zinc/22/87/35/608228735.db2.gz ORCABZATMOJYIY-KBPBESRZSA-N -1 3 340.456 3.501 20 0 EHADHM C[C@@H](NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(F)cc1Cl ZINC000824604659 608283609 /nfs/dbraw/zinc/28/36/09/608283609.db2.gz CUGWGKNSFHDKHW-SECBINFHSA-N -1 3 349.772 3.649 20 0 EHADHM CCC/C=C\C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825258428 608327529 /nfs/dbraw/zinc/32/75/29/608327529.db2.gz CWPUXBSLLBMCBS-WTKPLQERSA-N -1 3 347.422 3.506 20 0 EHADHM CCC/C=C\C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825258428 608327530 /nfs/dbraw/zinc/32/75/30/608327530.db2.gz CWPUXBSLLBMCBS-WTKPLQERSA-N -1 3 347.422 3.506 20 0 EHADHM CSc1cccc(NCc2cc(-c3nnn[n-]3)ccc2F)c1C ZINC000826230841 608390126 /nfs/dbraw/zinc/39/01/26/608390126.db2.gz LUBQPEMOBQGZPA-UHFFFAOYSA-N -1 3 329.404 3.648 20 0 EHADHM CSc1cccc(NCc2cc(-c3nn[n-]n3)ccc2F)c1C ZINC000826230841 608390127 /nfs/dbraw/zinc/39/01/27/608390127.db2.gz LUBQPEMOBQGZPA-UHFFFAOYSA-N -1 3 329.404 3.648 20 0 EHADHM c1cc(-c2nnn[n-]2)oc1CN1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000826522636 608685583 /nfs/dbraw/zinc/68/55/83/608685583.db2.gz IPDLFQYICZAJKC-KRWDZBQOSA-N -1 3 348.410 3.668 20 0 EHADHM C[C@H](Nc1ccc(OC(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824656534 609160967 /nfs/dbraw/zinc/16/09/67/609160967.db2.gz LJQJNKXYTHRAIR-JTQLQIEISA-N -1 3 349.316 3.938 20 0 EHADHM C[C@H](Nc1ccc(OC(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824656534 609160968 /nfs/dbraw/zinc/16/09/68/609160968.db2.gz LJQJNKXYTHRAIR-JTQLQIEISA-N -1 3 349.316 3.938 20 0 EHADHM CCc1nc2cc(N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)ccc2o1 ZINC000825749698 609176177 /nfs/dbraw/zinc/17/61/77/609176177.db2.gz GEHDULREQOJUBS-NSHDSACASA-N -1 3 334.383 3.743 20 0 EHADHM CCc1nc2cc(N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)ccc2o1 ZINC000825749698 609176179 /nfs/dbraw/zinc/17/61/79/609176179.db2.gz GEHDULREQOJUBS-NSHDSACASA-N -1 3 334.383 3.743 20 0 EHADHM CC[C@@H](C)n1nc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000825081044 609254779 /nfs/dbraw/zinc/25/47/79/609254779.db2.gz DUCKPLQZUKQUKX-DGCLKSJQSA-N -1 3 325.420 3.516 20 0 EHADHM CC[C@@H](C)n1nc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000825081044 609254781 /nfs/dbraw/zinc/25/47/81/609254781.db2.gz DUCKPLQZUKQUKX-DGCLKSJQSA-N -1 3 325.420 3.516 20 0 EHADHM CCc1cnccc1[C@@H](C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825734236 609341348 /nfs/dbraw/zinc/34/13/48/609341348.db2.gz JZVLAOHCGFAVQL-NWDGAFQWSA-N -1 3 325.391 3.870 20 0 EHADHM CCc1cnccc1[C@@H](C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825734236 609341350 /nfs/dbraw/zinc/34/13/50/609341350.db2.gz JZVLAOHCGFAVQL-NWDGAFQWSA-N -1 3 325.391 3.870 20 0 EHADHM CCCOc1ccccc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825342894 609348109 /nfs/dbraw/zinc/34/81/09/609348109.db2.gz XUTJIOXIKJAGSI-GFCCVEGCSA-N -1 3 341.390 3.968 20 0 EHADHM CCCOc1ccccc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825342894 609348111 /nfs/dbraw/zinc/34/81/11/609348111.db2.gz XUTJIOXIKJAGSI-GFCCVEGCSA-N -1 3 341.390 3.968 20 0 EHADHM CC(C)Nc1cc(F)ccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000824305030 609439528 /nfs/dbraw/zinc/43/95/28/609439528.db2.gz JPMSYWUNWOTZLA-UHFFFAOYSA-N -1 3 344.369 3.577 20 0 EHADHM CC(C)Nc1cc(F)ccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824305030 609439530 /nfs/dbraw/zinc/43/95/30/609439530.db2.gz JPMSYWUNWOTZLA-UHFFFAOYSA-N -1 3 344.369 3.577 20 0 EHADHM CC(C)Nc1cc(F)ccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000824304817 609480077 /nfs/dbraw/zinc/48/00/77/609480077.db2.gz FLSCYMOLFPAPNC-UHFFFAOYSA-N -1 3 344.369 3.577 20 0 EHADHM CC(C)Nc1cc(F)ccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000824304817 609480085 /nfs/dbraw/zinc/48/00/85/609480085.db2.gz FLSCYMOLFPAPNC-UHFFFAOYSA-N -1 3 344.369 3.577 20 0 EHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(-c2ccccc2)o1 ZINC000826454519 609506481 /nfs/dbraw/zinc/50/64/81/609506481.db2.gz ZMPULLAYLMLRLG-UHFFFAOYSA-N -1 3 349.325 3.518 20 0 EHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(-c2ccccc2)o1 ZINC000826454519 609506485 /nfs/dbraw/zinc/50/64/85/609506485.db2.gz ZMPULLAYLMLRLG-UHFFFAOYSA-N -1 3 349.325 3.518 20 0 EHADHM Cc1ccnc(N[C@@H](C)c2cccc3ccccc32)c1-c1nnn[n-]1 ZINC000826311693 609520816 /nfs/dbraw/zinc/52/08/16/609520816.db2.gz LHEYHUOGCJDSDQ-ZDUSSCGKSA-N -1 3 330.395 3.896 20 0 EHADHM Cc1ccnc(N[C@@H](C)c2cccc3ccccc32)c1-c1nn[n-]n1 ZINC000826311693 609520817 /nfs/dbraw/zinc/52/08/17/609520817.db2.gz LHEYHUOGCJDSDQ-ZDUSSCGKSA-N -1 3 330.395 3.896 20 0 EHADHM Cc1ccnc(N[C@H](C)c2cccc3ccccc32)c1-c1nnn[n-]1 ZINC000826311692 609521122 /nfs/dbraw/zinc/52/11/22/609521122.db2.gz LHEYHUOGCJDSDQ-CYBMUJFWSA-N -1 3 330.395 3.896 20 0 EHADHM Cc1ccnc(N[C@H](C)c2cccc3ccccc32)c1-c1nn[n-]n1 ZINC000826311692 609521124 /nfs/dbraw/zinc/52/11/24/609521124.db2.gz LHEYHUOGCJDSDQ-CYBMUJFWSA-N -1 3 330.395 3.896 20 0 EHADHM Cc1c(Cl)cnc(N2CCC[C@H]2c2ccsc2)c1-c1nnn[n-]1 ZINC000826238143 609534299 /nfs/dbraw/zinc/53/42/99/609534299.db2.gz XLXDQMUHZBKDCN-LBPRGKRZSA-N -1 3 346.847 3.627 20 0 EHADHM Cc1c(Cl)cnc(N2CCC[C@H]2c2ccsc2)c1-c1nn[n-]n1 ZINC000826238143 609534300 /nfs/dbraw/zinc/53/43/00/609534300.db2.gz XLXDQMUHZBKDCN-LBPRGKRZSA-N -1 3 346.847 3.627 20 0 EHADHM c1coc(CN(Cc2ccccc2-c2nnn[n-]2)c2ccccc2)c1 ZINC000738436066 945266503 /nfs/dbraw/zinc/26/65/03/945266503.db2.gz NMDSVEZTDCANJK-UHFFFAOYSA-N -1 3 331.379 3.667 20 0 EHADHM c1coc(CN(Cc2ccccc2-c2nn[n-]n2)c2ccccc2)c1 ZINC000738436066 945266513 /nfs/dbraw/zinc/26/65/13/945266513.db2.gz NMDSVEZTDCANJK-UHFFFAOYSA-N -1 3 331.379 3.667 20 0 EHADHM Fc1cc(NCc2ccc(-c3nnn[n-]3)cc2)ccc1OC1CCC1 ZINC000822753990 946167623 /nfs/dbraw/zinc/16/76/23/946167623.db2.gz VJSVUGRWVCQIAD-UHFFFAOYSA-N -1 3 339.374 3.549 20 0 EHADHM Fc1cc(NCc2ccc(-c3nn[n-]n3)cc2)ccc1OC1CCC1 ZINC000822753990 946167630 /nfs/dbraw/zinc/16/76/30/946167630.db2.gz VJSVUGRWVCQIAD-UHFFFAOYSA-N -1 3 339.374 3.549 20 0 EHADHM C[C@@H](NC(=O)CC1CC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824477878 946727417 /nfs/dbraw/zinc/72/74/17/946727417.db2.gz CQJIISBRLLQZNP-CYBMUJFWSA-N -1 3 347.422 3.511 20 0 EHADHM C[C@@H](NC(=O)CC1CC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824477878 946727426 /nfs/dbraw/zinc/72/74/26/946727426.db2.gz CQJIISBRLLQZNP-CYBMUJFWSA-N -1 3 347.422 3.511 20 0 EHADHM C[C@H](N[C@@H](CC(C)(C)C)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824529098 946762626 /nfs/dbraw/zinc/76/26/26/946762626.db2.gz DUGLPEHADZGBJN-GWCFXTLKSA-N -1 3 341.381 3.884 20 0 EHADHM C[C@H](N[C@@H](CC(C)(C)C)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824529098 946762635 /nfs/dbraw/zinc/76/26/35/946762635.db2.gz DUGLPEHADZGBJN-GWCFXTLKSA-N -1 3 341.381 3.884 20 0 EHADHM Cc1nc(C)c(CSc2cccc(Cl)c2-c2nnn[n-]2)s1 ZINC000826324030 947947419 /nfs/dbraw/zinc/94/74/19/947947419.db2.gz BLZFLNWNAWOILD-UHFFFAOYSA-N -1 3 337.861 3.886 20 0 EHADHM Cc1nc(C)c(CSc2cccc(Cl)c2-c2nn[n-]n2)s1 ZINC000826324030 947947425 /nfs/dbraw/zinc/94/74/25/947947425.db2.gz BLZFLNWNAWOILD-UHFFFAOYSA-N -1 3 337.861 3.886 20 0 EHADHM C[C@@H](C(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)C1CCC1 ZINC001573755855 948787075 /nfs/dbraw/zinc/78/70/75/948787075.db2.gz UBNDZFQNAYULOE-CYBMUJFWSA-N -1 3 348.406 3.875 20 0 EHADHM C[C@@H](C(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)C1CCC1 ZINC001573755855 948787082 /nfs/dbraw/zinc/78/70/82/948787082.db2.gz UBNDZFQNAYULOE-CYBMUJFWSA-N -1 3 348.406 3.875 20 0 EHADHM CC(C)[C@@H]1CCc2ccccc2N1Cc1ccc(-c2nnn[n-]2)s1 ZINC001574098443 949157912 /nfs/dbraw/zinc/15/79/12/949157912.db2.gz AEQYNAGKGGAECP-HNNXBMFYSA-N -1 3 339.468 3.906 20 0 EHADHM O=C([O-])c1ccc(CN(Cc2ccccc2)C[C@H]2CCCO2)cc1 ZINC001595226254 949298293 /nfs/dbraw/zinc/29/82/93/949298293.db2.gz HIFHTTSDRZTRER-LJQANCHMSA-N -1 3 325.408 3.566 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001575860651 949309555 /nfs/dbraw/zinc/30/95/55/949309555.db2.gz KQUCIKSHHDCXQJ-GOSISDBHSA-N -1 3 325.416 3.640 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001575860651 949309579 /nfs/dbraw/zinc/30/95/79/949309579.db2.gz KQUCIKSHHDCXQJ-GOSISDBHSA-N -1 3 325.416 3.640 20 0 EHADHM C[C@H]1CCC[C@@H]1CNc1c(-c2nnn[n-]2)cnc2c(Cl)cccc21 ZINC001576156042 949431809 /nfs/dbraw/zinc/43/18/09/949431809.db2.gz LPRGOBSOUSXTLZ-WDEREUQCSA-N -1 3 342.834 3.916 20 0 EHADHM C[C@H]1CCC[C@@H]1CNc1c(-c2nn[n-]n2)cnc2c(Cl)cccc21 ZINC001576156042 949431819 /nfs/dbraw/zinc/43/18/19/949431819.db2.gz LPRGOBSOUSXTLZ-WDEREUQCSA-N -1 3 342.834 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CCc1ccc(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)c([O-])c1 ZINC000188299857 1021995770 /nfs/dbraw/zinc/99/57/70/1021995770.db2.gz HNNLUVSGRGWLAR-QGZVFWFLSA-N -1 3 337.419 3.832 20 0 EHADHM Cc1ccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c([O-])c1 ZINC000440268457 1022054079 /nfs/dbraw/zinc/05/40/79/1022054079.db2.gz NGJUGCHLVSCYQT-UHFFFAOYSA-N -1 3 328.799 3.808 20 0 EHADHM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1Cl ZINC000517155954 1022063041 /nfs/dbraw/zinc/06/30/41/1022063041.db2.gz DGOOEJGOYYMVTM-UHFFFAOYSA-N -1 3 335.734 3.867 20 0 EHADHM C[C@H](c1cccs1)N(C)Cc1ncc(Br)cc1[O-] ZINC000891641088 1022190365 /nfs/dbraw/zinc/19/03/65/1022190365.db2.gz WPMGNAJFIUMRLK-SECBINFHSA-N -1 3 327.247 3.804 20 0 EHADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H]1CCCc2occc21 ZINC000471796978 1022253508 /nfs/dbraw/zinc/25/35/08/1022253508.db2.gz FHYCUQBHHWGNGB-CQSZACIVSA-N -1 3 349.383 3.829 20 0 EHADHM O=C(NCc1ncccc1[O-])c1cc(Cl)ccc1OC1CCCC1 ZINC000473636284 1022291949 /nfs/dbraw/zinc/29/19/49/1022291949.db2.gz FVFPQTNPRDNFQB-UHFFFAOYSA-N -1 3 346.814 3.692 20 0 EHADHM O=c1cc(CNc2cc(Cl)nc(C3CCC3)n2)nc(C2CCC2)[n-]1 ZINC000894965295 1022298464 /nfs/dbraw/zinc/29/84/64/1022298464.db2.gz GRHUOVAXZLXKHF-UHFFFAOYSA-N -1 3 345.834 3.773 20 0 EHADHM Cc1cccc(-c2cccc(CNC(=O)NCc3ncccc3[O-])c2)c1 ZINC000471810726 1022317276 /nfs/dbraw/zinc/31/72/76/1022317276.db2.gz LTOBCSQXUUETKZ-UHFFFAOYSA-N -1 3 347.418 3.762 20 0 EHADHM C[C@H]1CCCCN([C@@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000517576649 1022458159 /nfs/dbraw/zinc/45/81/59/1022458159.db2.gz XFCIIHOVNYGMLD-IINYFYTJSA-N -1 3 344.224 3.836 20 0 EHADHM COc1ccc(Br)c(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000111324174 1022478085 /nfs/dbraw/zinc/47/80/85/1022478085.db2.gz WSHBKHRSLKAUQC-UHFFFAOYSA-N -1 3 336.185 3.724 20 0 EHADHM CCC[C@@H]1C[C@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CCO1 ZINC000330785698 1022686522 /nfs/dbraw/zinc/68/65/22/1022686522.db2.gz UNAISHLVMXYURM-ZYHUDNBSSA-N -1 3 331.334 3.945 20 0 EHADHM CCCC[C@@H](CC)COCc1cccc(NC(=O)c2cnn[n-]2)c1 ZINC000149079985 1033080758 /nfs/dbraw/zinc/08/07/58/1033080758.db2.gz WICQAPPXEVNHSL-CQSZACIVSA-N -1 3 330.432 3.790 20 0 EHADHM CCCC[C@@H](CC)COCc1cccc(NC(=O)c2c[n-]nn2)c1 ZINC000149079985 1033080764 /nfs/dbraw/zinc/08/07/64/1033080764.db2.gz WICQAPPXEVNHSL-CQSZACIVSA-N -1 3 330.432 3.790 20 0 EHADHM CCCC[C@@H](CC)COCc1cccc(NC(=O)c2cn[n-]n2)c1 ZINC000149079985 1033080774 /nfs/dbraw/zinc/08/07/74/1033080774.db2.gz WICQAPPXEVNHSL-CQSZACIVSA-N -1 3 330.432 3.790 20 0 EHADHM CC(=O)c1ccc(C(=O)N2C[C@H](c3ccccc3C)C[C@@H]2C)cc1[O-] ZINC000331357541 1022799642 /nfs/dbraw/zinc/79/96/42/1022799642.db2.gz UBMJOMNLAJTKGS-WMLDXEAASA-N -1 3 337.419 3.921 20 0 EHADHM O=c1[n-]c(CN2CC3CC2(C(F)(F)F)C3)nc2c3ccccc3oc21 ZINC000517881447 1022803232 /nfs/dbraw/zinc/80/32/32/1022803232.db2.gz IKEUXIQYYJARCJ-UHFFFAOYSA-N -1 3 349.312 3.608 20 0 EHADHM COC(=O)c1ccc(C(=O)N(CCC(C)C)c2ccc(OC)cc2)[n-]1 ZINC000293525728 1022848371 /nfs/dbraw/zinc/84/83/71/1022848371.db2.gz DLQDBYHQCHOWCQ-UHFFFAOYSA-N -1 3 344.411 3.503 20 0 EHADHM CCc1ccc(C(=O)N(C)Cc2nc3ccccc3s2)c([O-])c1 ZINC000188633749 1022871079 /nfs/dbraw/zinc/87/10/79/1022871079.db2.gz MWIFEDMTAJXQEI-UHFFFAOYSA-N -1 3 326.421 3.837 20 0 EHADHM O=C(Nc1ncccc1[O-])C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000189064678 1022942249 /nfs/dbraw/zinc/94/22/49/1022942249.db2.gz GIJQNLPHJQWJEO-UHFFFAOYSA-N -1 3 340.276 3.615 20 0 EHADHM O=C(N[C@@H](CC1CCC1)c1ccccc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000574415367 1033097371 /nfs/dbraw/zinc/09/73/71/1033097371.db2.gz YBOYRTTXTJLSSL-INIZCTEOSA-N -1 3 337.423 3.721 20 0 EHADHM CC[C@]1(CO)CCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000189153466 1022981916 /nfs/dbraw/zinc/98/19/16/1022981916.db2.gz RZDMBUMTWXAHAS-HXUWFJFHSA-N -1 3 341.407 3.562 20 0 EHADHM C[C@@H]1CN(c2ccccc2NCc2c(F)ccc([O-])c2F)C[C@H](C)O1 ZINC000294189235 1022991108 /nfs/dbraw/zinc/99/11/08/1022991108.db2.gz KEXOMDKYMDXAIR-BETUJISGSA-N -1 3 348.393 3.896 20 0 EHADHM CCOc1ccc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1OC ZINC000426749435 1023021458 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COc1cccc([C@H](CC(=O)[O-])NCc2ccc(C)cc2C)c1OC ZINC000426830360 1023060099 /nfs/dbraw/zinc/06/00/99/1023060099.db2.gz XMVDHINUKKHPSW-KRWDZBQOSA-N -1 3 343.423 3.626 20 0 EHADHM O=C([O-])[C@@H](NCc1cc(Cl)cc2cccnc21)c1cccc(F)c1 ZINC000426814956 1023063456 /nfs/dbraw/zinc/06/34/56/1023063456.db2.gz CFYMBNPUWOWTRQ-KRWDZBQOSA-N -1 3 344.773 3.943 20 0 EHADHM COc1ccc([C@H](NCc2csc3ccccc23)C(=O)[O-])cc1F ZINC000426827079 1023070506 /nfs/dbraw/zinc/07/05/06/1023070506.db2.gz HCRMOVYXFNKHCQ-KRWDZBQOSA-N -1 3 345.395 3.965 20 0 EHADHM C[C@@H](N=c1ncnc2[nH][n-]cc1-2)c1ccc(Oc2ccccc2)cc1 ZINC000507029111 1023085122 /nfs/dbraw/zinc/08/51/22/1023085122.db2.gz DQNHSUXXFPNRRD-CYBMUJFWSA-N -1 3 331.379 3.692 20 0 EHADHM C[C@H](NCc1c(F)ccc([O-])c1F)c1nc(C2CCCCC2)no1 ZINC000294706486 1023085466 /nfs/dbraw/zinc/08/54/66/1023085466.db2.gz OMOZYJZIUHNXNY-JTQLQIEISA-N -1 3 337.370 3.952 20 0 EHADHM CC(C)CCOc1cccc(NC(=O)NCc2ncccc2[O-])c1 ZINC000348703533 1023089893 /nfs/dbraw/zinc/08/98/93/1023089893.db2.gz FGXGRAHAUYHLKW-UHFFFAOYSA-N -1 3 329.400 3.534 20 0 EHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)cc1 ZINC000509589436 1023094474 /nfs/dbraw/zinc/09/44/74/1023094474.db2.gz JVCFEMNFXOXSKL-UHFFFAOYSA-N -1 3 347.436 3.601 20 0 EHADHM CC[C@@H]1C[C@@]1(NC(=O)NCc1ccc([O-])c(F)c1)c1cccc(C)c1 ZINC000507203022 1023177086 /nfs/dbraw/zinc/17/70/86/1023177086.db2.gz IMIPIQMGDWSVNV-QRWLVFNGSA-N -1 3 342.414 3.964 20 0 EHADHM CCCCCNC(=O)C1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000507214156 1023191041 /nfs/dbraw/zinc/19/10/41/1023191041.db2.gz QAQSORCUIXNZOT-UHFFFAOYSA-N -1 3 338.879 3.564 20 0 EHADHM O=C([N-]c1cc(F)c(Br)cc1F)c1ncc(F)cc1F ZINC000190491823 1023196364 /nfs/dbraw/zinc/19/63/64/1023196364.db2.gz DEEXHZMOKSBXHH-UHFFFAOYSA-N -1 3 349.081 3.653 20 0 EHADHM CC(C)[C@@H](CC1CCCC1)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000427068071 1023198021 /nfs/dbraw/zinc/19/80/21/1023198021.db2.gz VYZBXUXUHAMNCZ-QGZVFWFLSA-N -1 3 341.459 3.582 20 0 EHADHM CC(C)[C@@H](CC1CCCC1)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000427068071 1023198028 /nfs/dbraw/zinc/19/80/28/1023198028.db2.gz VYZBXUXUHAMNCZ-QGZVFWFLSA-N -1 3 341.459 3.582 20 0 EHADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cccc(-c2cscn2)c1 ZINC000439020319 1023211058 /nfs/dbraw/zinc/21/10/58/1023211058.db2.gz NQDCWGCRRQKQAN-UHFFFAOYSA-N -1 3 346.415 3.874 20 0 EHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H]3CCC(C)C)nc2)n1 ZINC000133111131 1023292140 /nfs/dbraw/zinc/29/21/40/1023292140.db2.gz MAKZDOKKKALNSR-KRWDZBQOSA-N -1 3 340.471 3.799 20 0 EHADHM O=C(c1c([O-])cccc1O)N1CCC(CCc2ccccc2)CC1 ZINC000092106263 1023354756 /nfs/dbraw/zinc/35/47/56/1023354756.db2.gz GRQSGWZQQURNFJ-UHFFFAOYSA-N -1 3 325.408 3.583 20 0 EHADHM COc1ccc(CN[C@H](CC(=O)[O-])c2ccsc2)cc1Cl ZINC000276977175 1023523523 /nfs/dbraw/zinc/52/35/23/1023523523.db2.gz HRKBXVKSMBLRBT-CYBMUJFWSA-N -1 3 325.817 3.716 20 0 EHADHM CC(C)[C@H]1N(C(=O)c2cc(=O)c3ccccc3[n-]2)CC12CCCCC2 ZINC000458203339 1023631929 /nfs/dbraw/zinc/63/19/29/1023631929.db2.gz XWJXNKICDXPJOP-LJQANCHMSA-N -1 3 338.451 3.959 20 0 EHADHM CCc1cccc(C(=O)N(Cc2cc[nH]n2)Cc2ccccc2)c1[O-] ZINC000535798577 1023645169 /nfs/dbraw/zinc/64/51/69/1023645169.db2.gz PEGGXEKNDHGJSQ-UHFFFAOYSA-N -1 3 335.407 3.520 20 0 EHADHM CCC(CC)c1nnc([N-]C(=O)c2cc3nc[nH]c3cc2F)s1 ZINC000582009436 1023752685 /nfs/dbraw/zinc/75/26/85/1023752685.db2.gz HMUHQMUUFBXMOB-UHFFFAOYSA-N -1 3 333.392 3.709 20 0 EHADHM O=C(CCSc1ccccc1F)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000522566005 1024078567 /nfs/dbraw/zinc/07/85/67/1024078567.db2.gz XWFSUZWIHGHELG-UHFFFAOYSA-N -1 3 341.411 3.759 20 0 EHADHM CCOc1ccc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1F ZINC000417624467 1024187258 /nfs/dbraw/zinc/18/72/58/1024187258.db2.gz KTLQACCTJDIOMA-WBVHZDCISA-N -1 3 329.371 3.627 20 0 EHADHM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2F)o1 ZINC000614622504 1024247576 /nfs/dbraw/zinc/24/75/76/1024247576.db2.gz RULGBZHMVWROGW-GXSJLCMTSA-N -1 3 343.807 3.674 20 0 EHADHM CC[C@H]1CCC[C@@H]1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000152399576 1024359345 /nfs/dbraw/zinc/35/93/45/1024359345.db2.gz 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338.338 3.854 20 0 EHADHM Cc1nc(C)c(C(=O)[N-]c2nc(-c3ccccc3Cl)ns2)o1 ZINC000081378008 1123795724 /nfs/dbraw/zinc/79/57/24/1123795724.db2.gz MOOZXEDXKIINTC-UHFFFAOYSA-N -1 3 334.788 3.716 20 0 EHADHM CC(=O)c1ccc(C(=O)NC2(c3cccc(F)c3)CCC2)cc1[O-] ZINC000616466485 1124005676 /nfs/dbraw/zinc/00/56/76/1124005676.db2.gz IGMIAUOAODNTBE-UHFFFAOYSA-N -1 3 327.355 3.543 20 0 EHADHM CCc1cc2c(CN(C)[C@H](C)c3ccco3)cc(=O)oc2cc1[O-] ZINC000069070079 1124100515 /nfs/dbraw/zinc/10/05/15/1124100515.db2.gz NYYSWZDFPDJGRR-GFCCVEGCSA-N -1 3 327.380 3.847 20 0 EHADHM Cc1nc(-c2ccc(F)cc2)sc1C(=O)[N-]c1nc(C2CC2)no1 ZINC000734879993 1131293683 /nfs/dbraw/zinc/29/36/83/1131293683.db2.gz FHWPYYGOHMQSRU-UHFFFAOYSA-N -1 3 344.371 3.770 20 0 EHADHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N1CC2(CCCC2)[C@H]1c1ccco1 ZINC000617921340 1124841358 /nfs/dbraw/zinc/84/13/58/1124841358.db2.gz TYUCJQFOPSCHHZ-MRXNPFEDSA-N -1 3 337.379 3.619 20 0 EHADHM O=C(c1cc([O-])ccc1Cl)N1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000618114394 1124986738 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CC1(C)CN(C(=O)c2nnc3ccccc3c2[O-])[C@@H]1c1ccccc1 ZINC000732276743 1130904870 /nfs/dbraw/zinc/90/48/70/1130904870.db2.gz ZNZSBUMXHGZAIS-GOSISDBHSA-N -1 3 333.391 3.559 20 0 EHADHM CC(C)(C)c1ccc(CCNC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000732270580 1130907795 /nfs/dbraw/zinc/90/77/95/1130907795.db2.gz YNQQNBFXGVINOZ-UHFFFAOYSA-N -1 3 349.434 3.605 20 0 EHADHM O=C(Nc1cc(-c2ccccc2F)no1)c1c[n-]c2ccccc2c1=O ZINC000732829841 1130961875 /nfs/dbraw/zinc/96/18/75/1130961875.db2.gz GFVCGSCREDOQEU-UHFFFAOYSA-N -1 3 349.321 3.575 20 0 EHADHM O=C(OCc1cc(Br)ccc1Cl)c1cncc([O-])c1 ZINC000733012473 1130984689 /nfs/dbraw/zinc/98/46/89/1130984689.db2.gz AYMOZBFDYRSCQX-UHFFFAOYSA-N -1 3 342.576 3.560 20 0 EHADHM O=C(CCC1CCCCC1)[N-]OCc1ccn(-c2ccccc2)n1 ZINC000733997793 1131184690 /nfs/dbraw/zinc/18/46/90/1131184690.db2.gz FHSWNGPGFKGSNJ-UHFFFAOYSA-N -1 3 327.428 3.781 20 0 EHADHM O=C(Cc1cccc2ccccc21)[N-]OCCOc1cccc(F)c1 ZINC000738294695 1131467218 /nfs/dbraw/zinc/46/72/18/1131467218.db2.gz 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Cc1ccc(-c2nc(CN3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)cs2)cc1 ZINC000846290148 1137345424 /nfs/dbraw/zinc/34/54/24/1137345424.db2.gz GPWPAFMLGNXSFU-DLBZAZTESA-N -1 3 342.464 3.661 20 0 EHADHM CC(C)C(C)(C)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001146193647 1137387762 /nfs/dbraw/zinc/38/77/62/1137387762.db2.gz PODQECGNYWWQNB-UHFFFAOYSA-N -1 3 327.450 3.655 20 0 EHADHM CCO[C@@H]1C[C@@H](NC(=O)c2ccc(CC)cc2[O-])C12CCCCC2 ZINC001147187115 1137402581 /nfs/dbraw/zinc/40/25/81/1137402581.db2.gz BKYQFGUVMYWGRU-QZTJIDSGSA-N -1 3 331.456 3.812 20 0 EHADHM CCc1cccc(C(=O)Nc2ccc(-n3cc(C)cn3)c(F)c2)c1[O-] ZINC001147303937 1137403458 /nfs/dbraw/zinc/40/34/58/1137403458.db2.gz GVIOKGVVVMEIIG-UHFFFAOYSA-N -1 3 339.370 3.840 20 0 EHADHM COc1cccc(C(=O)Nc2ccc(-c3ccc(N)cc3)cc2)c1[O-] ZINC001148202941 1137420401 /nfs/dbraw/zinc/42/04/01/1137420401.db2.gz UCFGLBRSSBUHGO-UHFFFAOYSA-N -1 3 334.375 3.902 20 0 EHADHM CC(=O)c1ccc(C(=O)Nc2cccc(CC(F)(F)F)c2)cc1[O-] ZINC001148486838 1137426617 /nfs/dbraw/zinc/42/66/17/1137426617.db2.gz MIVQBKXAJMJLNM-UHFFFAOYSA-N -1 3 337.297 3.952 20 0 EHADHM CC(=O)c1cc(C(=O)NCc2ccc(C)c3ccccc23)ccc1[O-] ZINC001148668645 1137431658 /nfs/dbraw/zinc/43/16/58/1137431658.db2.gz GINKIXYIKWOFQV-UHFFFAOYSA-N -1 3 333.387 3.986 20 0 EHADHM CC(=O)c1cc(C(=O)N[C@@H](c2ccccc2)c2ccncc2)ccc1[O-] ZINC001148669429 1137431663 /nfs/dbraw/zinc/43/16/63/1137431663.db2.gz WXXABPFCRQPUNX-FQEVSTJZSA-N -1 3 346.386 3.509 20 0 EHADHM O=C(NCC/C=C\c1ccc(Br)cc1)c1ccccc1[O-] ZINC001148839116 1137435974 /nfs/dbraw/zinc/43/59/74/1137435974.db2.gz TWGPUZFMSGPFQV-HYXAFXHYSA-N -1 3 346.224 3.988 20 0 EHADHM CCc1ccc(C(=O)N(CC)CCOc2ccccc2OC)c([O-])c1 ZINC001148984177 1137438979 /nfs/dbraw/zinc/43/89/79/1137438979.db2.gz XUZTYJFXMWTUDM-UHFFFAOYSA-N -1 3 343.423 3.504 20 0 EHADHM Cc1cccc(C(=O)Nc2ccc([C@@H](O)C(F)(F)F)cc2)c1[O-] ZINC001171649923 1137501817 /nfs/dbraw/zinc/50/18/17/1137501817.db2.gz PVTSDJIINDMZFR-CQSZACIVSA-N -1 3 325.286 3.549 20 0 EHADHM Cc1cc(-c2noc(-c3[n-]nnc3C(F)(F)F)n2)ccc1Cl ZINC001212653085 1137548836 /nfs/dbraw/zinc/54/88/36/1137548836.db2.gz WYNVRUBXNCELDP-UHFFFAOYSA-N -1 3 329.669 3.502 20 0 EHADHM Cc1cc(-c2noc(-c3nn[n-]c3C(F)(F)F)n2)ccc1Cl ZINC001212653085 1137548837 /nfs/dbraw/zinc/54/88/37/1137548837.db2.gz WYNVRUBXNCELDP-UHFFFAOYSA-N -1 3 329.669 3.502 20 0 EHADHM Cc1c(Cl)cccc1-c1noc(-c2[n-]nnc2C(F)(F)F)n1 ZINC001212652954 1137548875 /nfs/dbraw/zinc/54/88/75/1137548875.db2.gz QDLACABETRMNGY-UHFFFAOYSA-N -1 3 329.669 3.502 20 0 EHADHM Cc1c(Cl)cccc1-c1noc(-c2nn[n-]c2C(F)(F)F)n1 ZINC001212652954 1137548876 /nfs/dbraw/zinc/54/88/76/1137548876.db2.gz QDLACABETRMNGY-UHFFFAOYSA-N -1 3 329.669 3.502 20 0 EHADHM CCOc1ccc(S(=O)(=O)[N-]c2cccnc2F)cc1C(C)C ZINC000872006723 1137564360 /nfs/dbraw/zinc/56/43/60/1137564360.db2.gz RYMJGLYTYFVCEK-UHFFFAOYSA-N -1 3 338.404 3.544 20 0 EHADHM C[C@@H](NCc1ccc(N2CCCCC2=O)cc1)c1cccc([O-])c1F ZINC000872024578 1137565572 /nfs/dbraw/zinc/56/55/72/1137565572.db2.gz UAVVSCCTRCCLCE-CQSZACIVSA-N -1 3 342.414 3.899 20 0 EHADHM CSc1ccc([O-])c(C(=O)N2CC[C@@H](c3nc(C)cs3)C2)c1 ZINC000874502461 1137616562 /nfs/dbraw/zinc/61/65/62/1137616562.db2.gz MSBXDUHVTMKPJX-LLVKDONJSA-N -1 3 334.466 3.509 20 0 EHADHM O=C([N-]c1nnc(Cc2ccccc2)s1)c1ncsc1C1CC1 ZINC000878064189 1137701148 /nfs/dbraw/zinc/70/11/48/1137701148.db2.gz BLAFRUIFDDOAPQ-UHFFFAOYSA-N -1 3 342.449 3.715 20 0 EHADHM CCCOc1ccc(C(=O)CCC(=O)[N-]OCc2ccccc2)cc1 ZINC000023040051 1137735508 /nfs/dbraw/zinc/73/55/08/1137735508.db2.gz PNUSNDUOEMRYLL-UHFFFAOYSA-N -1 3 341.407 3.686 20 0 EHADHM COc1ccc2oc(C)c(C(=O)NCc3ccc([O-])c(F)c3)c2c1 ZINC000133200238 1137880596 /nfs/dbraw/zinc/88/05/96/1137880596.db2.gz AGRXYDXZSIQZMR-UHFFFAOYSA-N -1 3 329.327 3.525 20 0 EHADHM C[C@@H](OC(=O)c1cccc2nn[n-]c21)c1cccc(Br)c1 ZINC000800206225 1137902561 /nfs/dbraw/zinc/90/25/61/1137902561.db2.gz ABYHIXBTZGMTAO-SECBINFHSA-N -1 3 346.184 3.638 20 0 EHADHM C[C@@H](OC(=O)c1cccc2[n-]nnc21)c1cccc(Br)c1 ZINC000800206225 1137902562 /nfs/dbraw/zinc/90/25/62/1137902562.db2.gz ABYHIXBTZGMTAO-SECBINFHSA-N -1 3 346.184 3.638 20 0 EHADHM C[C@@H](OC(=O)c1cccc2n[n-]nc21)c1cccc(Br)c1 ZINC000800206225 1137902563 /nfs/dbraw/zinc/90/25/63/1137902563.db2.gz ABYHIXBTZGMTAO-SECBINFHSA-N -1 3 346.184 3.638 20 0 EHADHM C[C@@H](OC(=O)c1cccc2nn[n-]c21)c1ncc(-c2ccccc2)o1 ZINC000800208444 1137902607 /nfs/dbraw/zinc/90/26/07/1137902607.db2.gz IPDFVBRPVLLTLQ-LLVKDONJSA-N -1 3 334.335 3.531 20 0 EHADHM C[C@@H](OC(=O)c1cccc2[n-]nnc21)c1ncc(-c2ccccc2)o1 ZINC000800208444 1137902608 /nfs/dbraw/zinc/90/26/08/1137902608.db2.gz IPDFVBRPVLLTLQ-LLVKDONJSA-N -1 3 334.335 3.531 20 0 EHADHM C[C@@H](OC(=O)c1cccc2n[n-]nc21)c1ncc(-c2ccccc2)o1 ZINC000800208444 1137902609 /nfs/dbraw/zinc/90/26/09/1137902609.db2.gz IPDFVBRPVLLTLQ-LLVKDONJSA-N -1 3 334.335 3.531 20 0 EHADHM CC(C)[C@@H]1OCCC[C@H]1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000332454814 1137944446 /nfs/dbraw/zinc/94/44/46/1137944446.db2.gz GFDMCPCRNNGQNX-KXBFYZLASA-N -1 3 327.424 3.726 20 0 EHADHM CC(=O)Nc1cc(NC(=O)c2cc3c(cc2[O-])CCCC3)ccc1C ZINC000332595427 1137948323 /nfs/dbraw/zinc/94/83/23/1137948323.db2.gz KRZOMFFXSGUTLS-UHFFFAOYSA-N -1 3 338.407 3.790 20 0 EHADHM CC(C)c1ccc(C(=O)N2CCC[C@H](C3CCOCC3)C2)c([O-])c1 ZINC000886152944 1138053294 /nfs/dbraw/zinc/05/32/94/1138053294.db2.gz SNMUEHMYMPTTLF-KRWDZBQOSA-N -1 3 331.456 3.794 20 0 EHADHM Cc1cc(C(=O)[N-]N2CCCCC2=O)sc1-c1ccc(F)cc1 ZINC000263827621 1138376061 /nfs/dbraw/zinc/37/60/61/1138376061.db2.gz QGGZNKJIWHRGMH-UHFFFAOYSA-N -1 3 332.400 3.520 20 0 EHADHM COc1cc(F)c([N-]C(=O)c2cc(-c3ccccc3)no2)cc1OC ZINC000337126245 1138472981 /nfs/dbraw/zinc/47/29/81/1138472981.db2.gz HXPLHVUWHMPXFV-UHFFFAOYSA-N -1 3 342.326 3.750 20 0 EHADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cc(=O)c3ccccc3[n-]2)s1 ZINC000264438274 1138515968 /nfs/dbraw/zinc/51/59/68/1138515968.db2.gz PQDVQISBKZNAMD-LLVKDONJSA-N -1 3 341.436 3.847 20 0 EHADHM Cc1nc(C)c(CCC(=O)Nc2cccc3ccsc32)c(=O)[n-]1 ZINC000337399524 1138556975 /nfs/dbraw/zinc/55/69/75/1138556975.db2.gz DBNGHFMWKHKAKA-UHFFFAOYSA-N -1 3 327.409 3.585 20 0 EHADHM CSc1nc(NC(=O)Cc2csc3ccc(Cl)cc23)n[n-]1 ZINC000337433850 1138567928 /nfs/dbraw/zinc/56/79/28/1138567928.db2.gz GXUQFSUCVJNINS-UHFFFAOYSA-N -1 3 338.845 3.576 20 0 EHADHM Cc1cc(-c2csc([N-]c3ncnc4ccncc43)n2)c(C)n1C ZINC000337533456 1138597327 /nfs/dbraw/zinc/59/73/27/1138597327.db2.gz WJTTXFQIKRMZBH-UHFFFAOYSA-N -1 3 336.424 3.847 20 0 EHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1nc2cccnc2s1 ZINC000338221229 1138792358 /nfs/dbraw/zinc/79/23/58/1138792358.db2.gz IPWYWFWCCBAIPK-UHFFFAOYSA-N -1 3 339.298 3.668 20 0 EHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(Br)cc1Cl ZINC000152825869 1139109533 /nfs/dbraw/zinc/10/95/33/1139109533.db2.gz GRNDGLPOPNOGCE-NSHDSACASA-N -1 3 349.612 3.682 20 0 EHADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(Br)cc1Cl ZINC000152825869 1139109535 /nfs/dbraw/zinc/10/95/35/1139109535.db2.gz GRNDGLPOPNOGCE-NSHDSACASA-N -1 3 349.612 3.682 20 0 EHADHM O=C(Nc1cc(Cl)ccc1[O-])C1(c2ccccc2)CCOCC1 ZINC000179011080 1139729740 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CCc1cc(=O)[n-]c(CNC(C)(C)c2cccc(C(F)(F)F)c2)n1 ZINC000268187947 1140900289 /nfs/dbraw/zinc/90/02/89/1140900289.db2.gz FDOPNURLSDTOLA-UHFFFAOYSA-N -1 3 339.361 3.788 20 0 EHADHM O=C(N[C@H]1CCOC2(CCCCC2)C1)c1cc(=O)c2ccccc2[n-]1 ZINC000269199724 1141077475 /nfs/dbraw/zinc/07/74/75/1141077475.db2.gz YKZRWYXFADQIGJ-AWEZNQCLSA-N -1 3 340.423 3.552 20 0 EHADHM CC(C)c1nnc([C@H](C)[N-]C(=O)C(F)(F)c2cccc(Cl)c2)[nH]1 ZINC000270974969 1141288298 /nfs/dbraw/zinc/28/82/98/1141288298.db2.gz CGFXJJOMEIINLN-VIFPVBQESA-N -1 3 342.777 3.551 20 0 EHADHM COCCCN(Cc1ccncc1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000271305403 1141343030 /nfs/dbraw/zinc/34/30/30/1141343030.db2.gz ROGIEAHUBCAQMX-UHFFFAOYSA-N -1 3 342.439 3.590 20 0 EHADHM CCC1(CC)[C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)[C@@H](C)[C@H]1OC ZINC000271331981 1141346164 /nfs/dbraw/zinc/34/61/64/1141346164.db2.gz CMZHJKUSEBCRKT-NXOUGTEYSA-N -1 3 342.439 3.510 20 0 EHADHM CCC1(CC)[C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)[C@H](C)[C@H]1OC ZINC000271331978 1141346701 /nfs/dbraw/zinc/34/67/01/1141346701.db2.gz CMZHJKUSEBCRKT-JBBXEZCESA-N -1 3 342.439 3.510 20 0 EHADHM O=C(c1cc(F)ccc1F)C1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000274464239 1141536631 /nfs/dbraw/zinc/53/66/31/1141536631.db2.gz CIBRBOCYBJERHD-UHFFFAOYSA-N -1 3 349.352 3.904 20 0 EHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1Cl ZINC000003581482 210058272 /nfs/dbraw/zinc/05/82/72/210058272.db2.gz VYXJODQWWPQASB-UHFFFAOYSA-N -1 3 325.817 3.766 20 0 EHADHM c1ccc(-c2ccc(-c3nnn[n-]3)c(SCc3ccncc3)n2)cc1 ZINC000738421016 598902749 /nfs/dbraw/zinc/90/27/49/598902749.db2.gz OHAXTDLZZMNXLW-UHFFFAOYSA-N -1 3 346.419 3.616 20 0 EHADHM c1ccc(-c2ccc(-c3nn[n-]n3)c(SCc3ccncc3)n2)cc1 ZINC000738421016 598902751 /nfs/dbraw/zinc/90/27/51/598902751.db2.gz OHAXTDLZZMNXLW-UHFFFAOYSA-N -1 3 346.419 3.616 20 0 EHADHM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000607104832 598910646 /nfs/dbraw/zinc/91/06/46/598910646.db2.gz IORWXHRXNOWZJH-MSOLQXFVSA-N -1 3 347.422 3.732 20 0 EHADHM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000607104832 598910647 /nfs/dbraw/zinc/91/06/47/598910647.db2.gz IORWXHRXNOWZJH-MSOLQXFVSA-N -1 3 347.422 3.732 20 0 EHADHM Cc1sc(NC(=O)C=C2CCC(C)CC2)c(-c2nnn[n-]2)c1C ZINC000737562362 598926603 /nfs/dbraw/zinc/92/66/03/598926603.db2.gz MNHZBMDFAKUFBD-UHFFFAOYSA-N -1 3 331.445 3.620 20 0 EHADHM Cc1sc(NC(=O)C=C2CCC(C)CC2)c(-c2nn[n-]n2)c1C ZINC000737562362 598926604 /nfs/dbraw/zinc/92/66/04/598926604.db2.gz MNHZBMDFAKUFBD-UHFFFAOYSA-N -1 3 331.445 3.620 20 0 EHADHM Cc1ccc(-c2cc(CNc3cccc(-c4nnn[n-]4)c3C)on2)cc1 ZINC000822213868 607256885 /nfs/dbraw/zinc/25/68/85/607256885.db2.gz DVHJCTFHKZAYQO-UHFFFAOYSA-N -1 3 346.394 3.751 20 0 EHADHM Cc1ccc(-c2cc(CNc3cccc(-c4nn[n-]n4)c3C)on2)cc1 ZINC000822213868 607256886 /nfs/dbraw/zinc/25/68/86/607256886.db2.gz DVHJCTFHKZAYQO-UHFFFAOYSA-N -1 3 346.394 3.751 20 0 EHADHM C[C@H](CNc1ccc(F)cc1-c1nnn[n-]1)Oc1ccc(Cl)cc1 ZINC000820280343 599089921 /nfs/dbraw/zinc/08/99/21/599089921.db2.gz DRZHJMHDMSTAJF-SNVBAGLBSA-N -1 3 347.781 3.539 20 0 EHADHM C[C@H](CNc1ccc(F)cc1-c1nn[n-]n1)Oc1ccc(Cl)cc1 ZINC000820280343 599089923 /nfs/dbraw/zinc/08/99/23/599089923.db2.gz DRZHJMHDMSTAJF-SNVBAGLBSA-N -1 3 347.781 3.539 20 0 EHADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)Oc1ccc(Cl)cc1 ZINC000820280298 599091361 /nfs/dbraw/zinc/09/13/61/599091361.db2.gz DAGMQGMLZLODEI-SNVBAGLBSA-N -1 3 347.781 3.539 20 0 EHADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)Oc1ccc(Cl)cc1 ZINC000820280298 599091363 /nfs/dbraw/zinc/09/13/63/599091363.db2.gz DAGMQGMLZLODEI-SNVBAGLBSA-N -1 3 347.781 3.539 20 0 EHADHM CCCCCC[C@](C)(CC)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000821048970 599137518 /nfs/dbraw/zinc/13/75/18/599137518.db2.gz HQDOVOHWUVZHGU-IBGZPJMESA-N -1 3 343.475 3.870 20 0 EHADHM CCCCCC[C@](C)(CC)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000821048970 599137520 /nfs/dbraw/zinc/13/75/20/599137520.db2.gz HQDOVOHWUVZHGU-IBGZPJMESA-N -1 3 343.475 3.870 20 0 EHADHM Cc1ccccc1[C@H](C)CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737422789 599161373 /nfs/dbraw/zinc/16/13/73/599161373.db2.gz OXCXMVIGMCFMMQ-HUUCEWRRSA-N -1 3 349.438 3.546 20 0 EHADHM Cc1ccccc1[C@H](C)CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737422789 599161377 /nfs/dbraw/zinc/16/13/77/599161377.db2.gz OXCXMVIGMCFMMQ-HUUCEWRRSA-N -1 3 349.438 3.546 20 0 EHADHM Cc1ccc(-c2nnc([C@@H](C)N3CCC[C@H](CC(=O)[O-])C3)o2)cc1C ZINC000818859050 597087394 /nfs/dbraw/zinc/08/73/94/597087394.db2.gz SUQVYOWDAXEUOE-HUUCEWRRSA-N -1 3 343.427 3.601 20 0 EHADHM CCC[C@]1(C)CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000821026743 607285592 /nfs/dbraw/zinc/28/55/92/607285592.db2.gz BBXHCWGOPYKUEY-GOSISDBHSA-N -1 3 342.447 3.609 20 0 EHADHM CCC[C@]1(C)CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000821026743 607285593 /nfs/dbraw/zinc/28/55/93/607285593.db2.gz BBXHCWGOPYKUEY-GOSISDBHSA-N -1 3 342.447 3.609 20 0 EHADHM CCC[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1ccccc1 ZINC000821008679 607293892 /nfs/dbraw/zinc/29/38/92/607293892.db2.gz JTSJOEPETFVXKW-INIZCTEOSA-N -1 3 335.411 3.698 20 0 EHADHM CCC[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1ccccc1 ZINC000821008679 607293893 /nfs/dbraw/zinc/29/38/93/607293893.db2.gz JTSJOEPETFVXKW-INIZCTEOSA-N -1 3 335.411 3.698 20 0 EHADHM CC[C@H](C)[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1ccccc1 ZINC000820859282 607321724 /nfs/dbraw/zinc/32/17/24/607321724.db2.gz CSAICTQNFJKNBH-SCLBCKFNSA-N -1 3 349.438 3.944 20 0 EHADHM CC[C@H](C)[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1ccccc1 ZINC000820859282 607321725 /nfs/dbraw/zinc/32/17/25/607321725.db2.gz CSAICTQNFJKNBH-SCLBCKFNSA-N -1 3 349.438 3.944 20 0 EHADHM COc1ccccc1CNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000821897220 607344906 /nfs/dbraw/zinc/34/49/06/607344906.db2.gz GIFVJHLSRSGTMP-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM COc1ccccc1CNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000821897220 607344907 /nfs/dbraw/zinc/34/49/07/607344907.db2.gz GIFVJHLSRSGTMP-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM CCCCC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736437901 598231948 /nfs/dbraw/zinc/23/19/48/598231948.db2.gz HQMFPPKAIAXJKZ-UHFFFAOYSA-N -1 3 337.383 3.788 20 0 EHADHM CCCCC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736437901 598231949 /nfs/dbraw/zinc/23/19/49/598231949.db2.gz HQMFPPKAIAXJKZ-UHFFFAOYSA-N -1 3 337.383 3.788 20 0 EHADHM CCOc1ccc([C@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736636434 598235490 /nfs/dbraw/zinc/23/54/90/598235490.db2.gz IQPGVJLNZZQCPE-NSHDSACASA-N -1 3 327.363 3.578 20 0 EHADHM CCOc1cccc([C@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736653507 598242961 /nfs/dbraw/zinc/24/29/61/598242961.db2.gz AZPOQRAWRZMSMI-NSHDSACASA-N -1 3 327.363 3.578 20 0 EHADHM Cc1sc(NC(=O)c2ccc(C(F)F)cc2)c(-c2nnn[n-]2)c1C ZINC000737560514 598326162 /nfs/dbraw/zinc/32/61/62/598326162.db2.gz AQHZFAMZMRSGLM-UHFFFAOYSA-N -1 3 349.366 3.735 20 0 EHADHM Cc1sc(NC(=O)c2ccc(C(F)F)cc2)c(-c2nn[n-]n2)c1C ZINC000737560514 598326163 /nfs/dbraw/zinc/32/61/63/598326163.db2.gz AQHZFAMZMRSGLM-UHFFFAOYSA-N -1 3 349.366 3.735 20 0 EHADHM CN(CC(C)(C)C)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000736787550 598381143 /nfs/dbraw/zinc/38/11/43/598381143.db2.gz CLTCQOZMBOFDAI-UHFFFAOYSA-N -1 3 349.438 3.652 20 0 EHADHM CN(CC(C)(C)C)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000736787550 598381145 /nfs/dbraw/zinc/38/11/45/598381145.db2.gz CLTCQOZMBOFDAI-UHFFFAOYSA-N -1 3 349.438 3.652 20 0 EHADHM C[C@@H]1CCCC[C@H]1CC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736258915 598488450 /nfs/dbraw/zinc/48/84/50/598488450.db2.gz CQADZQZSMNBBLV-OLZOCXBDSA-N -1 3 344.463 3.578 20 0 EHADHM C[C@@H]1CCCC[C@H]1CC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736258915 598488452 /nfs/dbraw/zinc/48/84/52/598488452.db2.gz CQADZQZSMNBBLV-OLZOCXBDSA-N -1 3 344.463 3.578 20 0 EHADHM CC(C)C[C@@H](C)CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000735760697 598494288 /nfs/dbraw/zinc/49/42/88/598494288.db2.gz GWKSVZGFPYGSRI-OAHLLOKOSA-N -1 3 343.475 3.676 20 0 EHADHM CC(C)C[C@@H](C)CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000735760697 598494290 /nfs/dbraw/zinc/49/42/90/598494290.db2.gz GWKSVZGFPYGSRI-OAHLLOKOSA-N -1 3 343.475 3.676 20 0 EHADHM CC/C=C(/C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736408616 598554605 /nfs/dbraw/zinc/55/46/05/598554605.db2.gz FTAPSEURIFLZJE-ACAGNQJTSA-N -1 3 349.394 3.954 20 0 EHADHM CC/C=C(/C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736408616 598554607 /nfs/dbraw/zinc/55/46/07/598554607.db2.gz FTAPSEURIFLZJE-ACAGNQJTSA-N -1 3 349.394 3.954 20 0 EHADHM O=C(CCCCCc1cccs1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000067246294 598567331 /nfs/dbraw/zinc/56/73/31/598567331.db2.gz VTWOTTQGXXMMJW-UHFFFAOYSA-N -1 3 341.440 3.670 20 0 EHADHM O=C(CCCCCc1cccs1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000067246294 598567333 /nfs/dbraw/zinc/56/73/33/598567333.db2.gz VTWOTTQGXXMMJW-UHFFFAOYSA-N -1 3 341.440 3.670 20 0 EHADHM CCC[C@H](C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736414962 598590162 /nfs/dbraw/zinc/59/01/62/598590162.db2.gz CDMUVMJLJWGAAC-AWEZNQCLSA-N -1 3 339.374 3.528 20 0 EHADHM CCC[C@H](C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736414962 598590164 /nfs/dbraw/zinc/59/01/64/598590164.db2.gz CDMUVMJLJWGAAC-AWEZNQCLSA-N -1 3 339.374 3.528 20 0 EHADHM Clc1ccc(-c2nnn[n-]2)c(N2CCC[C@@H]2c2cccs2)c1 ZINC000737570636 598630883 /nfs/dbraw/zinc/63/08/83/598630883.db2.gz JGCMYRWYSRURLK-GFCCVEGCSA-N -1 3 331.832 3.923 20 0 EHADHM Clc1ccc(-c2nn[n-]n2)c(N2CCC[C@@H]2c2cccs2)c1 ZINC000737570636 598630885 /nfs/dbraw/zinc/63/08/85/598630885.db2.gz JGCMYRWYSRURLK-GFCCVEGCSA-N -1 3 331.832 3.923 20 0 EHADHM CCSc1ccc([C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736666050 598755712 /nfs/dbraw/zinc/75/57/12/598755712.db2.gz KTHPUVVNQIDUCU-LLVKDONJSA-N -1 3 326.429 3.547 20 0 EHADHM CCSc1ccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736666050 598755713 /nfs/dbraw/zinc/75/57/13/598755713.db2.gz KTHPUVVNQIDUCU-LLVKDONJSA-N -1 3 326.429 3.547 20 0 EHADHM CC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1OC ZINC000736367793 598814054 /nfs/dbraw/zinc/81/40/54/598814054.db2.gz CQEQCRBCBYJLFN-CQSZACIVSA-N -1 3 327.363 3.578 20 0 EHADHM CC[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C)C(C)C ZINC000736331137 598818536 /nfs/dbraw/zinc/81/85/36/598818536.db2.gz IOFVCHKDOYJQMA-CYBMUJFWSA-N -1 3 345.447 3.665 20 0 EHADHM CC[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C)C(C)C ZINC000736331137 598818537 /nfs/dbraw/zinc/81/85/37/598818537.db2.gz IOFVCHKDOYJQMA-CYBMUJFWSA-N -1 3 345.447 3.665 20 0 EHADHM Cc1sc(NC(=O)c2coc3ccccc32)c(-c2nnn[n-]2)c1C ZINC000737563742 598822090 /nfs/dbraw/zinc/82/20/90/598822090.db2.gz PVHPWYNKUBXGSQ-UHFFFAOYSA-N -1 3 339.380 3.544 20 0 EHADHM Cc1sc(NC(=O)c2coc3ccccc32)c(-c2nn[n-]n2)c1C ZINC000737563742 598822091 /nfs/dbraw/zinc/82/20/91/598822091.db2.gz PVHPWYNKUBXGSQ-UHFFFAOYSA-N -1 3 339.380 3.544 20 0 EHADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCCOC2CCCCCC2)n1 ZINC000737239230 599339845 /nfs/dbraw/zinc/33/98/45/599339845.db2.gz BPNFHRPFVSHJFY-UHFFFAOYSA-N -1 3 347.488 3.710 20 0 EHADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCCOC2CCCCCC2)n1 ZINC000737239230 599339848 /nfs/dbraw/zinc/33/98/48/599339848.db2.gz BPNFHRPFVSHJFY-UHFFFAOYSA-N -1 3 347.488 3.710 20 0 EHADHM COc1cccc(CCCSc2ccccc2-c2nnn[n-]2)c1 ZINC000821867682 599350848 /nfs/dbraw/zinc/35/08/48/599350848.db2.gz JJQNOFTZYACDSG-UHFFFAOYSA-N -1 3 326.425 3.600 20 0 EHADHM COc1cccc(CCCSc2ccccc2-c2nn[n-]n2)c1 ZINC000821867682 599350849 /nfs/dbraw/zinc/35/08/49/599350849.db2.gz JJQNOFTZYACDSG-UHFFFAOYSA-N -1 3 326.425 3.600 20 0 EHADHM C[C@@H](Nc1nnc(-c2ccccc2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820462216 599354750 /nfs/dbraw/zinc/35/47/50/599354750.db2.gz VWQRZMYFPYLNJW-LLVKDONJSA-N -1 3 349.423 3.558 20 0 EHADHM C[C@@H](Nc1nnc(-c2ccccc2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820462216 599354755 /nfs/dbraw/zinc/35/47/55/599354755.db2.gz VWQRZMYFPYLNJW-LLVKDONJSA-N -1 3 349.423 3.558 20 0 EHADHM C[C@H](Nc1cccc(OC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820461409 599365227 /nfs/dbraw/zinc/36/52/27/599365227.db2.gz JNDWWUUKXKPCNG-JTQLQIEISA-N -1 3 349.316 3.938 20 0 EHADHM C[C@H](Nc1cccc(OC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461409 599365228 /nfs/dbraw/zinc/36/52/28/599365228.db2.gz JNDWWUUKXKPCNG-JTQLQIEISA-N -1 3 349.316 3.938 20 0 EHADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccc(-c2ccccc2)cc1 ZINC000820432939 599390048 /nfs/dbraw/zinc/39/00/48/599390048.db2.gz UDGZCCKGRYJRCQ-CQSZACIVSA-N -1 3 345.406 3.978 20 0 EHADHM C[C@H]1C[C@H]1c1ccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)o1 ZINC000736236864 599414091 /nfs/dbraw/zinc/41/40/91/599414091.db2.gz MAUWDMKHYLCWBD-SMDDNHRTSA-N -1 3 346.394 3.743 20 0 EHADHM C[C@H]1C[C@H]1c1ccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)o1 ZINC000736236864 599414092 /nfs/dbraw/zinc/41/40/92/599414092.db2.gz MAUWDMKHYLCWBD-SMDDNHRTSA-N -1 3 346.394 3.743 20 0 EHADHM C[C@H](Cc1ccccc1F)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736065233 599415677 /nfs/dbraw/zinc/41/56/77/599415677.db2.gz BHGVTSSBGGDDSV-GFCCVEGCSA-N -1 3 348.385 3.597 20 0 EHADHM C[C@H](Cc1ccccc1F)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736065233 599415679 /nfs/dbraw/zinc/41/56/79/599415679.db2.gz BHGVTSSBGGDDSV-GFCCVEGCSA-N -1 3 348.385 3.597 20 0 EHADHM C[C@H](CN(C)c1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccccc1 ZINC000736002610 599427188 /nfs/dbraw/zinc/42/71/88/599427188.db2.gz RJOHGDOXCYEZCX-CQSZACIVSA-N -1 3 344.422 3.655 20 0 EHADHM C[C@H](CN(C)c1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccccc1 ZINC000736002610 599427190 /nfs/dbraw/zinc/42/71/90/599427190.db2.gz RJOHGDOXCYEZCX-CQSZACIVSA-N -1 3 344.422 3.655 20 0 EHADHM CCc1ccc([C@@H](C)CC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000606347914 599538439 /nfs/dbraw/zinc/53/84/39/599538439.db2.gz VOBZRFJQOMULJF-ZDUSSCGKSA-N -1 3 335.411 3.561 20 0 EHADHM CCc1ccc([C@@H](C)CC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000606347914 599538440 /nfs/dbraw/zinc/53/84/40/599538440.db2.gz VOBZRFJQOMULJF-ZDUSSCGKSA-N -1 3 335.411 3.561 20 0 EHADHM C[C@@H](NC(=O)CC/C=C/c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736103456 599542283 /nfs/dbraw/zinc/54/22/83/599542283.db2.gz WPRUJEBYASDVJU-FUVBFXSKSA-N -1 3 347.422 3.538 20 0 EHADHM C[C@@H](NC(=O)CC/C=C/c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736103456 599542285 /nfs/dbraw/zinc/54/22/85/599542285.db2.gz WPRUJEBYASDVJU-FUVBFXSKSA-N -1 3 347.422 3.538 20 0 EHADHM Clc1ccc(N2CC[C@@H](Cc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000822573742 599580067 /nfs/dbraw/zinc/58/00/67/599580067.db2.gz GVIPKIGOZRQMJE-AWEZNQCLSA-N -1 3 339.830 3.589 20 0 EHADHM Clc1ccc(N2CC[C@@H](Cc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000822573742 599580069 /nfs/dbraw/zinc/58/00/69/599580069.db2.gz GVIPKIGOZRQMJE-AWEZNQCLSA-N -1 3 339.830 3.589 20 0 EHADHM O=C([O-])c1coc(CN(Cc2ccc3c(c2)CCO3)C2CCCC2)c1 ZINC000740270059 599812055 /nfs/dbraw/zinc/81/20/55/599812055.db2.gz WBVXMJLXNFEKTA-UHFFFAOYSA-N -1 3 341.407 3.858 20 0 EHADHM COc1ccccc1CC1CCN(Cc2cc(C(=O)[O-])oc2C)CC1 ZINC000581374973 599852944 /nfs/dbraw/zinc/85/29/44/599852944.db2.gz JYQPRJLAABWCTE-UHFFFAOYSA-N -1 3 343.423 3.750 20 0 EHADHM CSc1ccc(CN(CC(=O)[O-])Cc2ccc(F)c(F)c2)cc1 ZINC000738211821 599865770 /nfs/dbraw/zinc/86/57/70/599865770.db2.gz 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C[C@@H](Nc1ccc2c(c1)CC(C)(C)O2)c1ccc(-c2nnn[n-]2)cc1 ZINC000820462069 607023023 /nfs/dbraw/zinc/02/30/23/607023023.db2.gz UPOMPSUTDUOPJY-GFCCVEGCSA-N -1 3 335.411 3.753 20 0 EHADHM C[C@@H](Nc1ccc2c(c1)CC(C)(C)O2)c1ccc(-c2nn[n-]n2)cc1 ZINC000820462069 607023025 /nfs/dbraw/zinc/02/30/25/607023025.db2.gz UPOMPSUTDUOPJY-GFCCVEGCSA-N -1 3 335.411 3.753 20 0 EHADHM C[C@H]1CC[C@@H](CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)C1 ZINC000820684572 607052177 /nfs/dbraw/zinc/05/21/77/607052177.db2.gz RIQVMAWXUVFZOS-WDEREUQCSA-N -1 3 345.472 3.572 20 0 EHADHM C[C@H]1CC[C@@H](CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C1 ZINC000820684572 607052179 /nfs/dbraw/zinc/05/21/79/607052179.db2.gz RIQVMAWXUVFZOS-WDEREUQCSA-N -1 3 345.472 3.572 20 0 EHADHM CCC1(C)CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000820950526 607195585 /nfs/dbraw/zinc/19/55/85/607195585.db2.gz OYKMMSVUBWPNPU-UHFFFAOYSA-N -1 3 348.838 3.564 20 0 EHADHM CCC1(C)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000820950526 607195586 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CC[C@@H](C)c1ccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1 ZINC000825073718 607788757 /nfs/dbraw/zinc/78/87/57/607788757.db2.gz AYQANYKGXIFPCW-CYBMUJFWSA-N -1 3 335.411 3.657 20 0 EHADHM Brc1ccc(/C=C\CCn2ccc(-c3nnn[n-]3)c2)cc1 ZINC000823826526 607890780 /nfs/dbraw/zinc/89/07/80/607890780.db2.gz KSGQSNFMRPDZOE-IWQZZHSRSA-N -1 3 344.216 3.534 20 0 EHADHM Brc1ccc(/C=C\CCn2ccc(-c3nn[n-]n3)c2)cc1 ZINC000823826526 607890781 /nfs/dbraw/zinc/89/07/81/607890781.db2.gz KSGQSNFMRPDZOE-IWQZZHSRSA-N -1 3 344.216 3.534 20 0 EHADHM Cc1ccc(C(=O)CSc2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826281543 608206499 /nfs/dbraw/zinc/20/64/99/608206499.db2.gz YCXDYPMBPNOMBV-UHFFFAOYSA-N -1 3 344.827 3.804 20 0 EHADHM Cc1ccc(C(=O)CSc2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826281543 608206500 /nfs/dbraw/zinc/20/65/00/608206500.db2.gz YCXDYPMBPNOMBV-UHFFFAOYSA-N -1 3 344.827 3.804 20 0 EHADHM Cc1ccc([C@@H](C)Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000826282670 608223559 /nfs/dbraw/zinc/22/35/59/608223559.db2.gz ADVZTLMCNQGOTP-CYBMUJFWSA-N -1 3 330.395 3.896 20 0 EHADHM Cc1ccc([C@@H](C)Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000826282670 608223561 /nfs/dbraw/zinc/22/35/61/608223561.db2.gz ADVZTLMCNQGOTP-CYBMUJFWSA-N -1 3 330.395 3.896 20 0 EHADHM CCS[C@@H]1CCC[C@H]1Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825669571 608232404 /nfs/dbraw/zinc/23/24/04/608232404.db2.gz ZXNAGODOAHCTLH-HUUCEWRRSA-N -1 3 340.456 3.501 20 0 EHADHM CCS[C@@H]1CCC[C@H]1Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825669571 608232405 /nfs/dbraw/zinc/23/24/05/608232405.db2.gz ZXNAGODOAHCTLH-HUUCEWRRSA-N -1 3 340.456 3.501 20 0 EHADHM CC[C@@H](C)n1ncc(NCc2ccccc2-c2nnn[n-]2)c1C1CC1 ZINC000825083082 608428028 /nfs/dbraw/zinc/42/80/28/608428028.db2.gz XHEZNEAIKKAGDZ-GFCCVEGCSA-N -1 3 337.431 3.524 20 0 EHADHM CC[C@@H](C)n1ncc(NCc2ccccc2-c2nn[n-]n2)c1C1CC1 ZINC000825083082 608428030 /nfs/dbraw/zinc/42/80/30/608428030.db2.gz XHEZNEAIKKAGDZ-GFCCVEGCSA-N -1 3 337.431 3.524 20 0 EHADHM C[C@H](N[C@@H](C)c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824532232 609134666 /nfs/dbraw/zinc/13/46/66/609134666.db2.gz SUINGRAIMKVLGP-UWVGGRQHSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@H](N[C@@H](C)c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824532232 609134667 /nfs/dbraw/zinc/13/46/67/609134667.db2.gz SUINGRAIMKVLGP-UWVGGRQHSA-N -1 3 347.344 3.696 20 0 EHADHM COCc1cccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000826164777 609174237 /nfs/dbraw/zinc/17/42/37/609174237.db2.gz PWXYAUORCNIHFL-GOSISDBHSA-N -1 3 335.411 3.503 20 0 EHADHM COCc1cccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826164777 609174239 /nfs/dbraw/zinc/17/42/39/609174239.db2.gz PWXYAUORCNIHFL-GOSISDBHSA-N -1 3 335.411 3.503 20 0 EHADHM CC1CCN(c2ccc(NCc3ccc(-c4nn[n-]n4)cc3)cc2)CC1 ZINC000824961717 609262386 /nfs/dbraw/zinc/26/23/86/609262386.db2.gz HCGKHNYPXVFGBH-UHFFFAOYSA-N -1 3 348.454 3.715 20 0 EHADHM C[C@@H](Nc1ccc(F)c(Cl)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824656872 609267169 /nfs/dbraw/zinc/26/71/69/609267169.db2.gz NNEQRRRCRIYNIT-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@@H](Nc1ccc(F)c(Cl)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824656872 609267170 /nfs/dbraw/zinc/26/71/70/609267170.db2.gz NNEQRRRCRIYNIT-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM Cc1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)ccc1N(C)C ZINC000826270661 609277781 /nfs/dbraw/zinc/27/77/81/609277781.db2.gz JXWIIUVFQQXROG-LBPRGKRZSA-N -1 3 340.406 3.553 20 0 EHADHM Cc1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)ccc1N(C)C ZINC000826270661 609277782 /nfs/dbraw/zinc/27/77/82/609277782.db2.gz JXWIIUVFQQXROG-LBPRGKRZSA-N -1 3 340.406 3.553 20 0 EHADHM C[C@H](NCc1ccc([C@@H]2C[C@H]2C)o1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824614235 609327437 /nfs/dbraw/zinc/32/74/37/609327437.db2.gz ZUJVGRKSKWQKLI-JRPNMDOOSA-N -1 3 341.390 3.573 20 0 EHADHM C[C@H](NCc1ccc([C@@H]2C[C@H]2C)o1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824614235 609327438 /nfs/dbraw/zinc/32/74/38/609327438.db2.gz ZUJVGRKSKWQKLI-JRPNMDOOSA-N -1 3 341.390 3.573 20 0 EHADHM CC[C@@H](C)CCCCC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825060592 609478351 /nfs/dbraw/zinc/47/83/51/609478351.db2.gz RKELAVZLHHGAOK-KGLIPLIRSA-N -1 3 329.448 3.650 20 0 EHADHM CC[C@@H](C)CCCCC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825060592 609478353 /nfs/dbraw/zinc/47/83/53/609478353.db2.gz RKELAVZLHHGAOK-KGLIPLIRSA-N -1 3 329.448 3.650 20 0 EHADHM CCOc1cccc(CSc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000825649788 609490226 /nfs/dbraw/zinc/49/02/26/609490226.db2.gz XWPIXDPSFOKPEF-UHFFFAOYSA-N -1 3 347.831 3.606 20 0 EHADHM CCOc1cccc(CSc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000825649788 609490227 /nfs/dbraw/zinc/49/02/27/609490227.db2.gz XWPIXDPSFOKPEF-UHFFFAOYSA-N -1 3 347.831 3.606 20 0 EHADHM Cc1ccc([C@H]2CCCCN2c2nccc(C)c2-c2nnn[n-]2)cc1 ZINC000826286169 609570817 /nfs/dbraw/zinc/57/08/17/609570817.db2.gz UJCNHIGRGFHYGF-MRXNPFEDSA-N -1 3 334.427 3.610 20 0 EHADHM Cc1ccc([C@H]2CCCCN2c2nccc(C)c2-c2nn[n-]n2)cc1 ZINC000826286169 609570825 /nfs/dbraw/zinc/57/08/25/609570825.db2.gz UJCNHIGRGFHYGF-MRXNPFEDSA-N -1 3 334.427 3.610 20 0 EHADHM CCC(C)=C(C)C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000825049836 609600760 /nfs/dbraw/zinc/60/07/60/609600760.db2.gz FMTOVAZQKNRSQI-MDZDMXLPSA-N -1 3 333.461 3.911 20 0 EHADHM CCC(C)=C(C)C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000825049836 609600761 /nfs/dbraw/zinc/60/07/61/609600761.db2.gz FMTOVAZQKNRSQI-MDZDMXLPSA-N -1 3 333.461 3.911 20 0 EHADHM CC/C(C)=C(\C)C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000825049836 609600763 /nfs/dbraw/zinc/60/07/63/609600763.db2.gz FMTOVAZQKNRSQI-MDZDMXLPSA-N -1 3 333.461 3.911 20 0 EHADHM COc1ccc(C(=O)[O-])cc1CN1CC[C@H](C(F)(F)F)C1(C)C ZINC000324168027 971091869 /nfs/dbraw/zinc/09/18/69/971091869.db2.gz QLZGDPDZIJDMDZ-ZDUSSCGKSA-N -1 3 331.334 3.556 20 0 EHADHM CC[C@@H](CC1CCCCC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000510053283 944634473 /nfs/dbraw/zinc/63/44/73/944634473.db2.gz GVHNSYGDXQRROO-AWEZNQCLSA-N -1 3 327.432 3.802 20 0 EHADHM CC[C@@H](CC1CCCCC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000510053283 944634481 /nfs/dbraw/zinc/63/44/81/944634481.db2.gz GVHNSYGDXQRROO-AWEZNQCLSA-N -1 3 327.432 3.802 20 0 EHADHM CCOc1ccccc1[C@H](CC)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000459395393 1032058907 /nfs/dbraw/zinc/05/89/07/1032058907.db2.gz PGPUUGPXWHVFPZ-INIZCTEOSA-N -1 3 327.428 3.699 20 0 EHADHM CC(C)CC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824228010 946628482 /nfs/dbraw/zinc/62/84/82/946628482.db2.gz CWZPKPUZQPLYAZ-CQSZACIVSA-N -1 3 349.438 3.757 20 0 EHADHM CC(C)CC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824228010 946628498 /nfs/dbraw/zinc/62/84/98/946628498.db2.gz CWZPKPUZQPLYAZ-CQSZACIVSA-N -1 3 349.438 3.757 20 0 EHADHM C[C@H](NC(=O)C1(C)CC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824472970 946727214 /nfs/dbraw/zinc/72/72/14/946727214.db2.gz XVCUYWHOQQCECX-ZDUSSCGKSA-N -1 3 347.422 3.511 20 0 EHADHM C[C@H](NC(=O)C1(C)CC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824472970 946727221 /nfs/dbraw/zinc/72/72/21/946727221.db2.gz XVCUYWHOQQCECX-ZDUSSCGKSA-N -1 3 347.422 3.511 20 0 EHADHM COc1cc(-c2nnn[n-]2)ccc1CNc1cc(SC)ccc1C ZINC000826170450 947531277 /nfs/dbraw/zinc/53/12/77/947531277.db2.gz AHXMDVPMAJRISB-UHFFFAOYSA-N -1 3 341.440 3.518 20 0 EHADHM COc1cc(-c2nn[n-]n2)ccc1CNc1cc(SC)ccc1C ZINC000826170450 947531287 /nfs/dbraw/zinc/53/12/87/947531287.db2.gz AHXMDVPMAJRISB-UHFFFAOYSA-N -1 3 341.440 3.518 20 0 EHADHM Cc1ccnc(N[C@@H](C)c2csc3ccccc23)c1-c1nnn[n-]1 ZINC000826311677 947901850 /nfs/dbraw/zinc/90/18/50/947901850.db2.gz KTDNMYBQUFGRMQ-NSHDSACASA-N -1 3 336.424 3.958 20 0 EHADHM Cc1ccnc(N[C@@H](C)c2csc3ccccc23)c1-c1nn[n-]n1 ZINC000826311677 947901856 /nfs/dbraw/zinc/90/18/56/947901856.db2.gz KTDNMYBQUFGRMQ-NSHDSACASA-N -1 3 336.424 3.958 20 0 EHADHM CC(C)[C@@H]1CCCCCN1C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001574088160 948909416 /nfs/dbraw/zinc/90/94/16/948909416.db2.gz BGKKMFUJCMXUBN-HNNXBMFYSA-N -1 3 347.850 3.561 20 0 EHADHM CC(C)[C@@H]1CCCCCN1C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001574088160 948909423 /nfs/dbraw/zinc/90/94/23/948909423.db2.gz BGKKMFUJCMXUBN-HNNXBMFYSA-N -1 3 347.850 3.561 20 0 EHADHM CC[C@@H](c1ccc(Br)cc1)N1CCC[C@H](C(=O)[O-])C1 ZINC000086728626 949063397 /nfs/dbraw/zinc/06/33/97/949063397.db2.gz QYMLCCFRDSRQPB-JSGCOSHPSA-N -1 3 326.234 3.697 20 0 EHADHM C[C@@H]1CCCC[C@@]1(C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001576155107 949380584 /nfs/dbraw/zinc/38/05/84/949380584.db2.gz GKRFUZLQDFOAOF-QLJPJBMISA-N -1 3 348.838 3.610 20 0 EHADHM C[C@@H]1CCCC[C@@]1(C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001576155107 949380605 /nfs/dbraw/zinc/38/06/05/949380605.db2.gz GKRFUZLQDFOAOF-QLJPJBMISA-N -1 3 348.838 3.610 20 0 EHADHM O=C([O-])c1ccc(CNCc2cc(Br)cs2)s1 ZINC000236470766 949914952 /nfs/dbraw/zinc/91/49/52/949914952.db2.gz YWKNMSQZQIMMFE-UHFFFAOYSA-N -1 3 332.244 3.560 20 0 EHADHM CC(C)(C)c1csc(NC(=O)[C@@H]2C[C@H]2C(C)(C)C)c1-c1nnn[n-]1 ZINC001573884003 950779015 /nfs/dbraw/zinc/77/90/15/950779015.db2.gz BYPGGCYHUOJEQD-NXEZZACHSA-N -1 3 347.488 3.846 20 0 EHADHM CC(C)(C)c1csc(NC(=O)[C@@H]2C[C@H]2C(C)(C)C)c1-c1nn[n-]n1 ZINC001573884003 950779031 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CCc1cc(=O)[n-]c(-c2ccc(N3CCc4ccccc4[C@@H]3C)nc2)n1 ZINC000425227897 1024464362 /nfs/dbraw/zinc/46/43/62/1024464362.db2.gz JUUWAGZXVLIECL-AWEZNQCLSA-N -1 3 346.434 3.930 20 0 EHADHM O=S(=O)([N-]Cc1ccc(Cl)cc1F)c1ccc(Cl)s1 ZINC000033711793 1024478487 /nfs/dbraw/zinc/47/84/87/1024478487.db2.gz KREUJGOQQYXJCR-UHFFFAOYSA-N -1 3 340.228 3.673 20 0 EHADHM C[C@H]1CCC[C@@H](OCCCCCC(=O)[N-]OCc2ccccn2)C1 ZINC000909545365 1024495550 /nfs/dbraw/zinc/49/55/50/1024495550.db2.gz LVRYDVXHZCZQKO-FUHWJXTLSA-N -1 3 334.460 3.785 20 0 EHADHM COc1cc2nc(NC(=O)c3cccc(C)c3[O-])sc2cc1OC ZINC000514488705 1024511281 /nfs/dbraw/zinc/51/12/81/1024511281.db2.gz PVFLPZNTNQLMAG-UHFFFAOYSA-N -1 3 344.392 3.580 20 0 EHADHM CC[C@H](C)CSc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1 ZINC000657283979 1024559078 /nfs/dbraw/zinc/55/90/78/1024559078.db2.gz JXSQEYIWRQCQAD-LBPRGKRZSA-N -1 3 328.441 3.718 20 0 EHADHM CC(C)C[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000443724098 1024664052 /nfs/dbraw/zinc/66/40/52/1024664052.db2.gz YSYGGWQNLFBGRF-VIFPVBQESA-N -1 3 327.343 3.557 20 0 EHADHM Cc1ccccc1C[C@@H](CNCc1c(F)cccc1Cl)C(=O)[O-] ZINC000277359161 1024744492 /nfs/dbraw/zinc/74/44/92/1024744492.db2.gz PSQXJMIVBMUYIU-AWEZNQCLSA-N -1 3 335.806 3.821 20 0 EHADHM CC1(CC(=O)NCc2ccc([O-])c(Br)c2)CCCC1 ZINC000514817320 1024773582 /nfs/dbraw/zinc/77/35/82/1024773582.db2.gz DWSHQWAJZHZFNY-UHFFFAOYSA-N -1 3 326.234 3.741 20 0 EHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(N(C)CC)nc2)CC)n1 ZINC000435339138 1024811434 /nfs/dbraw/zinc/81/14/34/1024811434.db2.gz PCCPJNISESKMSN-RVDMUPIBSA-N -1 3 326.444 3.524 20 0 EHADHM CC(=O)[C@H](C)CCCCC(=O)N=c1cc(-c2cc(C)cc(C)c2)[n-][nH]1 ZINC000428035239 1024941090 /nfs/dbraw/zinc/94/10/90/1024941090.db2.gz UTLFLRUHBXOVAP-OAHLLOKOSA-N -1 3 341.455 3.839 20 0 EHADHM Cc1cc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc(C)c1Cl ZINC000441872745 1025079218 /nfs/dbraw/zinc/07/92/18/1025079218.db2.gz UZQSDRPIKPOURQ-UHFFFAOYSA-N -1 3 333.819 3.641 20 0 EHADHM C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000366890408 1025111319 /nfs/dbraw/zinc/11/13/19/1025111319.db2.gz DCGRQQLEKMIJBU-NVXWUHKLSA-N -1 3 346.430 3.936 20 0 EHADHM O=C(c1ccccc1)C1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000277485185 1025345177 /nfs/dbraw/zinc/34/51/77/1025345177.db2.gz QSVMHRYCAGTCTQ-UHFFFAOYSA-N -1 3 343.810 3.781 20 0 EHADHM CC1(C)CCCC[C@@H]1NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000896435523 1025447389 /nfs/dbraw/zinc/44/73/89/1025447389.db2.gz FCWJRAAHEHBUJF-HNNXBMFYSA-N -1 3 334.366 3.505 20 0 EHADHM [O-]c1cccc(O[C@H]2CCC(F)(F)C2)c1I ZINC001227377397 1025489380 /nfs/dbraw/zinc/48/93/80/1025489380.db2.gz DRARYIDXZDSKBW-ZETCQYMHSA-N -1 3 340.107 3.563 20 0 EHADHM O=C([N-]c1cc(F)c(OC(F)F)cc1F)c1cc(C2CC2)no1 ZINC000347099468 1025524178 /nfs/dbraw/zinc/52/41/78/1025524178.db2.gz DOINAKBRWZTSAY-UHFFFAOYSA-N -1 3 330.237 3.684 20 0 EHADHM CN1CCCN(C(=O)c2cc([O-])ccc2Cl)c2ccc(F)cc21 ZINC000582232045 1025636338 /nfs/dbraw/zinc/63/63/38/1025636338.db2.gz BCRUPMXBMWFPGR-UHFFFAOYSA-N -1 3 334.778 3.671 20 0 EHADHM CSc1nc(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)n[n-]1 ZINC000347259324 1025754312 /nfs/dbraw/zinc/75/43/12/1025754312.db2.gz DAFQQWUXUXTNOS-JGVFFNPUSA-N -1 3 343.239 3.576 20 0 EHADHM COc1cccc(C2(F)CCN(C(=O)c3ccc(C)cc3[O-])CC2)c1 ZINC000436487669 1025789559 /nfs/dbraw/zinc/78/95/59/1025789559.db2.gz KHGMBAWYBZOMGQ-UHFFFAOYSA-N -1 3 343.398 3.810 20 0 EHADHM CCc1ccc(C(=O)N2CCO[C@H](c3ccccc3Cl)C2)c([O-])c1 ZINC000191075613 1025812089 /nfs/dbraw/zinc/81/20/89/1025812089.db2.gz LQNBCWTXDGKJLO-SFHVURJKSA-N -1 3 345.826 3.822 20 0 EHADHM Cc1ccc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c([O-])c1 ZINC000436522881 1025825773 /nfs/dbraw/zinc/82/57/73/1025825773.db2.gz XYZJRERUMUSSOU-MRXNPFEDSA-N -1 3 327.380 3.511 20 0 EHADHM CCC[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CCO1 ZINC000436536891 1025844080 /nfs/dbraw/zinc/84/40/80/1025844080.db2.gz VYCPUSDRBZWSBF-GOSISDBHSA-N -1 3 339.435 3.624 20 0 EHADHM COc1cc(F)c(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1OC ZINC000436554025 1025860218 /nfs/dbraw/zinc/86/02/18/1025860218.db2.gz GCYKUQZBCHHMAG-UHFFFAOYSA-N -1 3 345.370 3.680 20 0 EHADHM COC(=O)[C@H](c1ccccc1)N(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436539427 1025869525 /nfs/dbraw/zinc/86/95/25/1025869525.db2.gz TYXHNYMOHJDEBW-SFHVURJKSA-N -1 3 341.407 3.502 20 0 EHADHM CC[C@H]1CO[C@H](C)CN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436591763 1025908991 /nfs/dbraw/zinc/90/89/91/1025908991.db2.gz RJBTWVKIFKEWHZ-CABCVRRESA-N -1 3 341.407 3.824 20 0 EHADHM O=C(NCc1ccc(F)cn1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436593340 1025912352 /nfs/dbraw/zinc/91/23/52/1025912352.db2.gz AQRHZNGACURAFU-UHFFFAOYSA-N -1 3 338.338 3.649 20 0 EHADHM CC(C)c1ccc(C(=O)N(C)[C@H](CCO)c2ccccc2)c([O-])c1 ZINC000436598241 1025916791 /nfs/dbraw/zinc/91/67/91/1025916791.db2.gz YLUIZMRRGDXGRF-GOSISDBHSA-N -1 3 327.424 3.711 20 0 EHADHM CC(C)c1ccc(C(=O)NC[C@H](C[C@@H](C)O)c2ccccc2)c([O-])c1 ZINC000436585477 1025923732 /nfs/dbraw/zinc/92/37/32/1025923732.db2.gz MFFNJWOTQNWVDZ-QAPCUYQASA-N -1 3 341.451 3.800 20 0 EHADHM CN(CCOc1ccccc1C(C)(C)C)C(=O)c1c([O-])cccc1O ZINC000436602281 1025936057 /nfs/dbraw/zinc/93/60/57/1025936057.db2.gz LAKSGGTZACGQNZ-UHFFFAOYSA-N -1 3 343.423 3.546 20 0 EHADHM CC(=O)c1csc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)n1 ZINC000121899689 1025942749 /nfs/dbraw/zinc/94/27/49/1025942749.db2.gz BDCCQHNNORLIBQ-UHFFFAOYSA-N -1 3 347.783 3.906 20 0 EHADHM COc1ccc([O-])c(-c2nc(-c3ccc(O)c4ccccc34)no2)c1 ZINC000436614275 1025949162 /nfs/dbraw/zinc/94/91/62/1025949162.db2.gz VULMYUZETFHNRN-UHFFFAOYSA-N -1 3 334.331 3.977 20 0 EHADHM CC(=O)c1ccc(C(=O)NCC(C)(C)c2ccccc2C)cc1[O-] ZINC000436637233 1025968083 /nfs/dbraw/zinc/96/80/83/1025968083.db2.gz UNKZXNDFGZBESC-UHFFFAOYSA-N -1 3 325.408 3.611 20 0 EHADHM COc1ccc(OCCN(C)C(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC000436620594 1025971452 /nfs/dbraw/zinc/97/14/52/1025971452.db2.gz BATBIIRGSJRANQ-UHFFFAOYSA-N -1 3 343.423 3.675 20 0 EHADHM CC(=O)c1ccc(C(=O)Nc2ccc3cnn(C(C)C)c3c2)cc1[O-] ZINC000436620835 1025971891 /nfs/dbraw/zinc/97/18/91/1025971891.db2.gz CCWJLUKBCXJPDB-UHFFFAOYSA-N -1 3 337.379 3.778 20 0 EHADHM Cc1ccc(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)c([O-])c1 ZINC000436622316 1025974199 /nfs/dbraw/zinc/97/41/99/1025974199.db2.gz DASRZNIRKHOBLK-UHFFFAOYSA-N -1 3 327.399 3.935 20 0 EHADHM Cc1nc(C(C)C)sc1C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000522108783 1025978491 /nfs/dbraw/zinc/97/84/91/1025978491.db2.gz NYUXWKNXRRHWGU-UHFFFAOYSA-N -1 3 326.425 3.639 20 0 EHADHM CSc1nc(NC(=O)c2oc3c(ccc4ccccc34)c2C)n[n-]1 ZINC000522123941 1026002637 /nfs/dbraw/zinc/00/26/37/1026002637.db2.gz IOXIKCPODBQZPD-UHFFFAOYSA-N -1 3 338.392 3.987 20 0 EHADHM COc1ccc(C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)c([O-])c1 ZINC000436666402 1026006464 /nfs/dbraw/zinc/00/64/64/1026006464.db2.gz SZSYQVBXOGRSQN-ZDUSSCGKSA-N -1 3 329.396 3.679 20 0 EHADHM CC(=O)c1ccc(C(=O)Nc2cc(-c3ccccc3C)nn2C)cc1[O-] ZINC000436658670 1026019600 /nfs/dbraw/zinc/01/96/00/1026019600.db2.gz VTCZWCRKRMLJLY-UHFFFAOYSA-N -1 3 349.390 3.556 20 0 EHADHM COc1ccc(/C=C\C(=O)Nc2ccc(Cl)cc2[O-])cc1OC ZINC000255503702 1026061265 /nfs/dbraw/zinc/06/12/65/1026061265.db2.gz SCLGYHYIQKWZFO-YWEYNIOJSA-N -1 3 333.771 3.715 20 0 EHADHM O=C(Nc1cc(F)ccc1[O-])c1cccc(Br)c1F ZINC000192192615 1026117971 /nfs/dbraw/zinc/11/79/71/1026117971.db2.gz UPBSRIBNGKCOLY-UHFFFAOYSA-N -1 3 328.112 3.685 20 0 EHADHM CC[C@@H](C)n1ncc(NC(=O)c2cc(OC)ccc2[O-])c1C1CC1 ZINC000436737483 1026104959 /nfs/dbraw/zinc/10/49/59/1026104959.db2.gz LCHSGEHAJVVHJZ-LLVKDONJSA-N -1 3 329.400 3.698 20 0 EHADHM O=S(=O)([N-]C[C@@H]1CCCC1(F)F)c1cccc(Cl)c1Cl ZINC000451822951 1026309351 /nfs/dbraw/zinc/30/93/51/1026309351.db2.gz LRPMYZOHZMFBSQ-QMMMGPOBSA-N -1 3 344.210 3.707 20 0 EHADHM CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000530897010 1026383719 /nfs/dbraw/zinc/38/37/19/1026383719.db2.gz DNWXMBAPNQYHFW-UHFFFAOYSA-N -1 3 348.349 3.907 20 0 EHADHM Cn1c(C(=O)Nc2cc(Br)ccc2[O-])cc2ccccc21 ZINC000530916481 1026416777 /nfs/dbraw/zinc/41/67/77/1026416777.db2.gz KJBXDOQPMMRHOG-UHFFFAOYSA-N -1 3 345.196 3.899 20 0 EHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2C)cc1 ZINC000511148969 1026500565 /nfs/dbraw/zinc/50/05/65/1026500565.db2.gz ARWJLALHJSFNGA-UHFFFAOYSA-N -1 3 349.452 3.983 20 0 EHADHM O=C([N-]c1ccncc1F)c1c(F)cc(Br)cc1F ZINC000122701008 1026700602 /nfs/dbraw/zinc/70/06/02/1026700602.db2.gz UNOPMNGLGCFPEC-UHFFFAOYSA-N -1 3 331.091 3.514 20 0 EHADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)[C@H]3CCC[C@H](C)C3)nc2)n1 ZINC000301174489 1026711123 /nfs/dbraw/zinc/71/11/23/1026711123.db2.gz LSJPDFKDNTYPAM-BBRMVZONSA-N -1 3 326.444 3.822 20 0 EHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(C)c(F)c3)nc2)n1 ZINC000301187272 1026716970 /nfs/dbraw/zinc/71/69/70/1026716970.db2.gz VROJOMBMIXSXBF-UHFFFAOYSA-N -1 3 338.386 3.866 20 0 EHADHM C[C@H]1CCC[C@H](OCC(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000531394581 1026863976 /nfs/dbraw/zinc/86/39/76/1026863976.db2.gz AFBZLLKNYGUIAX-JQWIXIFHSA-N -1 3 342.233 3.689 20 0 EHADHM C[C@@]12CN(C(=O)CCCc3ccc([O-])c(F)c3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000452601488 1026874698 /nfs/dbraw/zinc/87/46/98/1026874698.db2.gz ZSYVIDXXJKDSLQ-OLPIVMHESA-N -1 3 329.415 3.525 20 0 EHADHM CO[C@H]1CCC[C@H](C(=O)Nc2c([O-])ccc(Br)c2C)C1 ZINC000452757516 1026985758 /nfs/dbraw/zinc/98/57/58/1026985758.db2.gz QATZNSGPIQBYBC-QWRGUYRKSA-N -1 3 342.233 3.607 20 0 EHADHM CCCC1(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CC1 ZINC000531842557 1027506795 /nfs/dbraw/zinc/50/67/95/1027506795.db2.gz ROKGDRPJCJFOOE-UHFFFAOYSA-N -1 3 340.427 3.859 20 0 EHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@@H](C)c3ccccc3)cc2)n1 ZINC000129125545 1027524247 /nfs/dbraw/zinc/52/42/47/1027524247.db2.gz JLHBUPDRNCDRIJ-CQSZACIVSA-N -1 3 347.418 3.878 20 0 EHADHM C[C@@H](CC(=O)[O-])N(C)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000582797271 1027748310 /nfs/dbraw/zinc/74/83/10/1027748310.db2.gz MAPRSRJVNJPVRY-ZDUSSCGKSA-N -1 3 348.830 3.609 20 0 EHADHM Cc1ncc(S(=O)(=O)[N-][C@@H](c2cccc(F)c2)C(C)(C)C)s1 ZINC000339045667 1027891543 /nfs/dbraw/zinc/89/15/43/1027891543.db2.gz XYOWDCICFLCSBT-AWEZNQCLSA-N -1 3 342.461 3.656 20 0 EHADHM Cc1cc(CN2CCC[C@@H](CCC(=O)[O-])C2)ccc1Br ZINC000091477169 1027908081 /nfs/dbraw/zinc/90/80/81/1027908081.db2.gz HWXAFMGORTUGLT-ZDUSSCGKSA-N -1 3 340.261 3.834 20 0 EHADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000503623028 1027968561 /nfs/dbraw/zinc/96/85/61/1027968561.db2.gz XJNVCEGOQQSKPA-ZDUSSCGKSA-N -1 3 346.793 3.502 20 0 EHADHM CO[C@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)c1ccccc1 ZINC000134216407 1028104315 /nfs/dbraw/zinc/10/43/15/1028104315.db2.gz VWWFBBDVFOIOSY-AWEZNQCLSA-N -1 3 325.286 3.737 20 0 EHADHM CC[C@H](CS(=O)(=O)[N-]c1c(C)cc(Cl)c2ccccc21)OC ZINC000421161347 1028140649 /nfs/dbraw/zinc/14/06/49/1028140649.db2.gz WYNCNKFTDPCUSB-GFCCVEGCSA-N -1 3 341.860 3.968 20 0 EHADHM CC(C)c1ncncc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000342944724 1028307133 /nfs/dbraw/zinc/30/71/33/1028307133.db2.gz ONKYMABIGWCPHV-UHFFFAOYSA-N -1 3 325.290 3.577 20 0 EHADHM C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Br)cc1[O-] ZINC000261466254 1028310130 /nfs/dbraw/zinc/31/01/30/1028310130.db2.gz NRKBWKZNMUWHCS-NSHDSACASA-N -1 3 334.213 3.972 20 0 EHADHM Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000342955630 1028368077 /nfs/dbraw/zinc/36/80/77/1028368077.db2.gz UBCQHEXPJAJEGR-QMMMGPOBSA-N -1 3 341.333 3.504 20 0 EHADHM CCSc1ccc(CN(C)[C@H](CC)C(=O)[O-])c(Br)c1 ZINC000629361300 1028446433 /nfs/dbraw/zinc/44/64/33/1028446433.db2.gz FRNNIAANTYJVBT-CYBMUJFWSA-N -1 3 346.290 3.856 20 0 EHADHM Cc1cc(F)cc2c1CN(C(=O)CCCc1ccc([O-])c(F)c1)CC2 ZINC000504164635 1028462387 /nfs/dbraw/zinc/46/23/87/1028462387.db2.gz LYVHTWYHVJYKJW-UHFFFAOYSA-N -1 3 345.389 3.886 20 0 EHADHM O=C(CSCc1ccc(Cl)cc1Cl)Nc1ncccc1[O-] ZINC000072027364 1028496933 /nfs/dbraw/zinc/49/69/33/1028496933.db2.gz QVSIMXSUAXOHDB-UHFFFAOYSA-N -1 3 343.235 3.966 20 0 EHADHM O=C(NCc1ccc(Br)cc1)c1cc([O-])ccc1Cl ZINC000236616929 1028558610 /nfs/dbraw/zinc/55/86/10/1028558610.db2.gz NIBLOLMCWDTQRY-UHFFFAOYSA-N -1 3 340.604 3.738 20 0 EHADHM COc1cccc2cc(CN[C@H](CC(=O)[O-])c3cccs3)oc21 ZINC000319736588 1028558966 /nfs/dbraw/zinc/55/89/66/1028558966.db2.gz HNFUPSQQHSLSBN-CYBMUJFWSA-N -1 3 331.393 3.809 20 0 EHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(CC2CC2)C2CCCCC2)c1 ZINC000122210501 1028585111 /nfs/dbraw/zinc/58/51/11/1028585111.db2.gz APCZZPBQOUYRJE-UHFFFAOYSA-N -1 3 330.428 3.536 20 0 EHADHM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)o1 ZINC000502752497 1028634928 /nfs/dbraw/zinc/63/49/28/1028634928.db2.gz RALXZBGABYDKCC-SLBVQIDZSA-N -1 3 347.418 3.957 20 0 EHADHM O=c1cc(CN2CCC[C@H]2c2ccncc2)nc(-c2ccccc2)[n-]1 ZINC000459389598 1028653418 /nfs/dbraw/zinc/65/34/18/1028653418.db2.gz MFLQXCXLMHILMH-SFHVURJKSA-N -1 3 332.407 3.581 20 0 EHADHM CC(=O)N1CC2(CC2)c2ccc(Nc3ccc([O-])c(F)c3F)cc21 ZINC001212009454 1028688809 /nfs/dbraw/zinc/68/88/09/1028688809.db2.gz OZTWJILNQAQGDS-UHFFFAOYSA-N -1 3 330.334 3.812 20 0 EHADHM COC(=O)c1cc(F)c(Cl)cc1Nc1ccc([O-])c(F)c1F ZINC001212014004 1028712783 /nfs/dbraw/zinc/71/27/83/1028712783.db2.gz UZVALCNLYDBZIG-UHFFFAOYSA-N -1 3 331.677 3.993 20 0 EHADHM O=C(NCc1ccsc1Br)c1cc([O-])ccc1Cl ZINC000353125800 1028716488 /nfs/dbraw/zinc/71/64/88/1028716488.db2.gz BZEJICUXXZNRFF-UHFFFAOYSA-N -1 3 346.633 3.800 20 0 EHADHM [O-]c1ccc(Cc2ccccc2)cc1-c1nc([C@@H]2CCCOC2)no1 ZINC000445522462 1028887299 /nfs/dbraw/zinc/88/72/99/1028887299.db2.gz UARXRHIZFNOXMM-MRXNPFEDSA-N -1 3 336.391 3.927 20 0 EHADHM CC(=O)c1cccc(NC(=O)c2ccc3c(c2)CC(C)(C)O3)c1[O-] ZINC000583144597 1028990248 /nfs/dbraw/zinc/99/02/48/1028990248.db2.gz IQAGAEHVIKYIED-UHFFFAOYSA-N -1 3 325.364 3.561 20 0 EHADHM C[C@@H]1CC(CCNC(=O)CCCc2ccc([O-])c(F)c2)C[C@@H](C)O1 ZINC000583156343 1029038999 /nfs/dbraw/zinc/03/89/99/1029038999.db2.gz SIOPCBCESRASSC-ZIAGYGMSSA-N -1 3 337.435 3.564 20 0 EHADHM O=C([O-])[C@@H]1c2ccoc2CCN1CCSc1ccc(Cl)cc1 ZINC000629366133 1029041643 /nfs/dbraw/zinc/04/16/43/1029041643.db2.gz JVLQYMXPVCPWKZ-HNNXBMFYSA-N -1 3 337.828 3.709 20 0 EHADHM CC(C)[C@@H](C(=O)[O-])[C@@H](C)NCc1csc(-c2ccc(F)cc2)n1 ZINC000424628273 1029190457 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CCS[C@H](C(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1)C(C)C ZINC000744215706 1132048388 /nfs/dbraw/zinc/04/83/88/1132048388.db2.gz ALBKWUFMUORJFZ-INIZCTEOSA-N -1 3 346.452 3.841 20 0 EHADHM O=C(OCc1cccc(Cl)n1)c1cccc(Br)c1[O-] ZINC000744976265 1132174579 /nfs/dbraw/zinc/17/45/79/1132174579.db2.gz IPJPYTLQVMLDGC-UHFFFAOYSA-N -1 3 342.576 3.560 20 0 EHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000745465368 1132255946 /nfs/dbraw/zinc/25/59/46/1132255946.db2.gz JDTIVWSKJUWOHI-UHFFFAOYSA-N -1 3 341.374 3.786 20 0 EHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000745465368 1132255950 /nfs/dbraw/zinc/25/59/50/1132255950.db2.gz JDTIVWSKJUWOHI-UHFFFAOYSA-N -1 3 341.374 3.786 20 0 EHADHM O=C(NCc1ccco1)c1cccc(Nc2ncc(Cl)cc2[O-])c1 ZINC001174199254 1132280440 /nfs/dbraw/zinc/28/04/40/1132280440.db2.gz SNOOSKGGPQRRPA-UHFFFAOYSA-N -1 3 343.770 3.707 20 0 EHADHM CC(=O)NCc1cccc(Nc2cccc([O-])c2Br)c1 ZINC001174371141 1132339833 /nfs/dbraw/zinc/33/98/33/1132339833.db2.gz HPDVJKYEDXCHOP-UHFFFAOYSA-N -1 3 335.201 3.534 20 0 EHADHM [O-]c1ccc(Nc2ccc(OCCN3CCOCC3)cc2)cc1Cl ZINC001174432204 1132353249 /nfs/dbraw/zinc/35/32/49/1132353249.db2.gz LZNOKAWZVDVHMJ-UHFFFAOYSA-N -1 3 348.830 3.500 20 0 EHADHM [O-]c1cccc(Nc2cnn([C@H]3CCCCO3)c2)c1Br ZINC001174608980 1132428646 /nfs/dbraw/zinc/42/86/46/1132428646.db2.gz NAINIYKWEKXDNJ-CYBMUJFWSA-N -1 3 338.205 3.794 20 0 EHADHM COc1c(F)ccc(F)c1[N-]c1nc2cccc(C(F)(F)F)n2n1 ZINC001174662518 1132442184 /nfs/dbraw/zinc/44/21/84/1132442184.db2.gz LYHBFPFNDASISR-UHFFFAOYSA-N -1 3 344.243 3.779 20 0 EHADHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(-n2cccn2)cc1C ZINC000190379836 1132453254 /nfs/dbraw/zinc/45/32/54/1132453254.db2.gz BGDDTTLPWRQKOV-UHFFFAOYSA-N -1 3 341.436 3.544 20 0 EHADHM CCOc1nnc(NC(=O)C(C)=Cc2c(Cl)cccc2Cl)[n-]1 ZINC001174746090 1132464661 /nfs/dbraw/zinc/46/46/61/1132464661.db2.gz ZPUCZYWKOQXHOV-BQYQJAHWSA-N -1 3 341.198 3.552 20 0 EHADHM CCOc1nc(NC(=O)C(C)=Cc2c(Cl)cccc2Cl)n[n-]1 ZINC001174746090 1132464664 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Nc1cccc(Oc2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC001175431507 1132666452 /nfs/dbraw/zinc/66/64/52/1132666452.db2.gz GIKOIHRLCXOKCE-UHFFFAOYSA-N -1 3 344.378 3.985 20 0 EHADHM O=c1cc(Oc2ccc(Nc3ccc(-c4nn[n-]n4)cc3)cc2)cc[nH]1 ZINC001175432386 1132668329 /nfs/dbraw/zinc/66/83/29/1132668329.db2.gz DIVROMPDPXNJGJ-UHFFFAOYSA-N -1 3 346.350 3.503 20 0 EHADHM CSc1ncc(Nc2cc(Br)cc(F)c2[O-])cn1 ZINC001175652339 1132723515 /nfs/dbraw/zinc/72/35/15/1132723515.db2.gz OUOACYYMVXCQHP-UHFFFAOYSA-N -1 3 330.182 3.549 20 0 EHADHM COc1cc(Nc2cc(Br)cc(F)c2[O-])c(F)cn1 ZINC001175694793 1132728205 /nfs/dbraw/zinc/72/82/05/1132728205.db2.gz UBQHMBZTAUYKHB-UHFFFAOYSA-N -1 3 331.116 3.580 20 0 EHADHM CC(C)S(=O)(=O)c1ccc(Nc2ccc(Cl)c([O-])c2)cc1 ZINC001212591634 1132787319 /nfs/dbraw/zinc/78/73/19/1132787319.db2.gz WPVMKVMWAORVKZ-UHFFFAOYSA-N -1 3 325.817 3.971 20 0 EHADHM O=C(/C=C(\c1ccc(Cl)cc1)C(F)(F)F)[N-]OCC(F)(F)F ZINC000766763129 1132795310 /nfs/dbraw/zinc/79/53/10/1132795310.db2.gz AJAKKTMAVOWQOQ-WEVVVXLNSA-N -1 3 347.642 3.896 20 0 EHADHM COC(=O)c1cc(Cl)cc(Nc2ccc(Cl)c([O-])c2)c1O ZINC001212593383 1132809097 /nfs/dbraw/zinc/80/90/97/1132809097.db2.gz NXDCYXUDFUZNGD-UHFFFAOYSA-N -1 3 328.151 3.935 20 0 EHADHM CS(=O)(=O)c1ccc(Nc2ccc(Cl)c([O-])c2)cc1Cl ZINC001212592455 1132812147 /nfs/dbraw/zinc/81/21/47/1132812147.db2.gz QJVWUZKGOLSCFK-UHFFFAOYSA-N -1 3 332.208 3.846 20 0 EHADHM COc1cc(Nc2ccc(Cl)c([O-])c2)ccc1N1CCOCC1 ZINC001212594204 1132840613 /nfs/dbraw/zinc/84/06/13/1132840613.db2.gz UPLXHIIKWGRUHV-UHFFFAOYSA-N -1 3 334.803 3.634 20 0 EHADHM O=C(c1ccc(F)c(Nc2ncc(Cl)cc2[O-])c1)N1CCCC1 ZINC001176210330 1132875105 /nfs/dbraw/zinc/87/51/05/1132875105.db2.gz IAJFVKUOBGTURI-UHFFFAOYSA-N -1 3 335.766 3.559 20 0 EHADHM [O-]c1cccc(Nc2cnc(N3CCCCC3)nc2)c1Br ZINC001176512595 1132952970 /nfs/dbraw/zinc/95/29/70/1132952970.db2.gz UUSLLUQTQBBPFN-UHFFFAOYSA-N -1 3 349.232 3.679 20 0 EHADHM CCN(CC)C(=O)c1cc([N-]c2nnc(C(C)(C)C)o2)ccc1F ZINC001176514835 1132954079 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COc1cc(Cl)c(F)cc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001178980332 1133214228 /nfs/dbraw/zinc/21/42/28/1133214228.db2.gz LNVVCHAIUFWQIR-UHFFFAOYSA-N -1 3 327.714 3.514 20 0 EHADHM C[C@@H]1CCc2ccccc2[C@@H]1NCc1ncc(Br)cc1[O-] ZINC001180326583 1133361757 /nfs/dbraw/zinc/36/17/57/1133361757.db2.gz MBBVGUVGGFLALQ-PIGZYNQJSA-N -1 3 347.256 3.963 20 0 EHADHM O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)c1c([O-])cccc1O ZINC000770401398 1133423171 /nfs/dbraw/zinc/42/31/71/1133423171.db2.gz HJEJRFDPXPMDIE-UHFFFAOYSA-N -1 3 349.390 3.550 20 0 EHADHM O=C(Nc1ccc(CO)cc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000770526716 1133443073 /nfs/dbraw/zinc/44/30/73/1133443073.db2.gz NACBNYXHXOHDBH-UHFFFAOYSA-N -1 3 333.387 3.728 20 0 EHADHM COC(=O)c1ccc(NC(=O)Nc2c(C)cc(C)cc2C)c([O-])c1 ZINC001181266427 1133474053 /nfs/dbraw/zinc/47/40/53/1133474053.db2.gz PMQQNNPQKRIWMQ-UHFFFAOYSA-N -1 3 328.368 3.748 20 0 EHADHM Cc1ccc(CCC(=O)[N-]OC2CCCC2)c(Br)c1 ZINC000772213094 1133656373 /nfs/dbraw/zinc/65/63/73/1133656373.db2.gz IHMPCCTXGAAMKR-UHFFFAOYSA-N -1 3 326.234 3.681 20 0 EHADHM Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc2occc2[n-]1 ZINC000786030450 1133793065 /nfs/dbraw/zinc/79/30/65/1133793065.db2.gz QJGFHLCGKKFDER-UHFFFAOYSA-N -1 3 332.743 3.518 20 0 EHADHM O=C([N-]c1nccc2ccncc21)c1nc(Cl)sc1Cl ZINC001183367508 1133799565 /nfs/dbraw/zinc/79/95/65/1133799565.db2.gz IFXWIQSMNRSFKJ-UHFFFAOYSA-N -1 3 325.180 3.645 20 0 EHADHM O=C(COC(=O)c1cc2sccc2c([O-])c1)Nc1cccc(F)c1 ZINC000786139402 1133804957 /nfs/dbraw/zinc/80/49/57/1133804957.db2.gz GKMWCAPRNDZMQX-UHFFFAOYSA-N -1 3 345.351 3.542 20 0 EHADHM Cc1cc(C(=O)COC(=O)c2cc3sccc3c([O-])c2)c(C)[nH]1 ZINC000786138448 1133813077 /nfs/dbraw/zinc/81/30/77/1133813077.db2.gz SZKUWLCSFCEVBN-UHFFFAOYSA-N -1 3 329.377 3.592 20 0 EHADHM Cc1ccc(N)cc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1F ZINC001250115861 1133826258 /nfs/dbraw/zinc/82/62/58/1133826258.db2.gz VHSSSCGXTIMKTB-UHFFFAOYSA-N -1 3 349.214 3.824 20 0 EHADHM CCCCOc1ccc(C(=O)N[C@@H]2C[C@]2(F)c2ccccc2)c([O-])c1 ZINC001183732995 1133847270 /nfs/dbraw/zinc/84/72/70/1133847270.db2.gz HOXZODBNTOEZAT-QUCCMNQESA-N -1 3 343.398 3.938 20 0 EHADHM CCOC(=O)N(C)c1ccc(NC(=O)c2ccc(CC)cc2[O-])cc1 ZINC000786822006 1133911075 /nfs/dbraw/zinc/91/10/75/1133911075.db2.gz XPVJIWXXPBRLJN-UHFFFAOYSA-N -1 3 342.395 3.800 20 0 EHADHM O=C(NCCc1ccccc1)Nc1c([O-])cccc1Br ZINC001184940024 1134002965 /nfs/dbraw/zinc/00/29/65/1134002965.db2.gz WOOCYFRHFFMVSD-UHFFFAOYSA-N -1 3 335.201 3.519 20 0 EHADHM O=S(=O)([N-][C@H](c1cccs1)C1CC1)c1cc(F)c(F)c(F)c1 ZINC001185021247 1134015590 /nfs/dbraw/zinc/01/55/90/1134015590.db2.gz HHPTZRJAKQTYQX-AWEZNQCLSA-N -1 3 347.383 3.595 20 0 EHADHM O=C(CCC1CCCC1)COC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787847350 1134046803 /nfs/dbraw/zinc/04/68/03/1134046803.db2.gz CIEJMXCKBRWJME-UHFFFAOYSA-N -1 3 336.403 3.937 20 0 EHADHM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2c3ncsc3ccc2Cl)C1 ZINC001185309507 1134067770 /nfs/dbraw/zinc/06/77/70/1134067770.db2.gz USFKFPTUNNMAKS-VHSXEESVSA-N -1 3 344.889 3.807 20 0 EHADHM COc1c(F)ccc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c1F ZINC001185524233 1134103205 /nfs/dbraw/zinc/10/32/05/1134103205.db2.gz FHQODXDOKUHYIG-UHFFFAOYSA-N -1 3 347.770 3.736 20 0 EHADHM CC(=O)c1cccc(Cl)c1[N-]S(=O)(=O)c1cccc(F)c1C ZINC001185836097 1134139299 /nfs/dbraw/zinc/13/92/99/1134139299.db2.gz BHHCODRHEQWPLX-UHFFFAOYSA-N -1 3 341.791 3.791 20 0 EHADHM CC(=O)c1cccc([O-])c1NC(=O)Cc1c(C)nc2ccccc2c1C ZINC001186272123 1134191037 /nfs/dbraw/zinc/19/10/37/1134191037.db2.gz FIRWBFKEJKCBFM-UHFFFAOYSA-N -1 3 348.402 3.941 20 0 EHADHM Clc1ccc([C@@H]2CCCCC[C@@H]2N=c2ncnc3[nH][n-]cc2-3)cc1 ZINC001186422251 1134216598 /nfs/dbraw/zinc/21/65/98/1134216598.db2.gz KXRIVINZPAVCJB-HOCLYGCPSA-N -1 3 341.846 3.908 20 0 EHADHM COc1ccc(OCC(=O)Nc2cc([O-])cc(Cl)c2)c(Cl)c1 ZINC001187287228 1134320942 /nfs/dbraw/zinc/32/09/42/1134320942.db2.gz XJWLRYNXUYJBTB-UHFFFAOYSA-N -1 3 342.178 3.725 20 0 EHADHM Cc1ccc(S(=O)(=O)[N-]CCCCC2CCCC2)c(F)c1F ZINC001187477914 1134341209 /nfs/dbraw/zinc/34/12/09/1134341209.db2.gz BQOHRRRDVAZNIW-UHFFFAOYSA-N -1 3 331.428 3.912 20 0 EHADHM Cc1ccc(O)c([N-]S(=O)(=O)CCc2cccc3ccccc32)c1 ZINC001187641511 1134361389 /nfs/dbraw/zinc/36/13/89/1134361389.db2.gz JKNBGDYOBJBWIH-UHFFFAOYSA-N -1 3 341.432 3.838 20 0 EHADHM COc1cscc1C(=O)[N-]c1nc(F)cc(C(F)(F)F)c1F ZINC001188296217 1134446873 /nfs/dbraw/zinc/44/68/73/1134446873.db2.gz KUVXCFUNMZLHPK-UHFFFAOYSA-N -1 3 338.257 3.701 20 0 EHADHM O=C(Nc1ccc2ccccc2c1)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001188609585 1134482002 /nfs/dbraw/zinc/48/20/02/1134482002.db2.gz YJBRYRKLXNOEKF-UHFFFAOYSA-N -1 3 346.346 3.838 20 0 EHADHM O=C(Nc1ccc2[nH][n-]c(=O)c2c1)c1ccc(Oc2cccnc2)cc1 ZINC001188620243 1134489100 /nfs/dbraw/zinc/48/91/00/1134489100.db2.gz YEPRNHJDYVUTNQ-UHFFFAOYSA-N -1 3 346.346 3.708 20 0 EHADHM Cc1cc(F)c(S(=O)(=O)[N-]CC2CCC(C)(C)CC2)cc1F ZINC001188910204 1134522004 /nfs/dbraw/zinc/52/20/04/1134522004.db2.gz UDFWQPMHGJSXIW-UHFFFAOYSA-N -1 3 331.428 3.768 20 0 EHADHM COC(=O)C1(NC(=O)c2cc3sccc3c([O-])c2)CCCCCC1 ZINC000791312294 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CC(C)c1ccc(C(=O)N2CCO[C@H](c3cccs3)C2)c([O-])c1 ZINC000268593892 1140960660 /nfs/dbraw/zinc/96/06/60/1140960660.db2.gz OYGRNQVXMWOOLO-INIZCTEOSA-N -1 3 331.437 3.791 20 0 EHADHM O=C([O-])[C@H]1CCCN(Cc2cccc(OCc3ccccc3)c2)C1 ZINC000003749281 210073273 /nfs/dbraw/zinc/07/32/73/210073273.db2.gz ZRUGXHPSBXPLGF-SFHVURJKSA-N -1 3 325.408 3.562 20 0 EHADHM O=c1[n-]c(CN2CCC[C@H]2c2ccc[nH]2)nc2c3ccccc3oc21 ZINC000080026343 217272613 /nfs/dbraw/zinc/27/26/13/217272613.db2.gz IALMHOVMOBKHQO-AWEZNQCLSA-N -1 3 334.379 3.747 20 0 EHADHM C[C@@H]1[C@@H](C)CCCN1Cc1cc(C(=O)[O-])ccc1Br ZINC000675072977 564112777 /nfs/dbraw/zinc/11/27/77/564112777.db2.gz IWKFKPFZTSGAJJ-WDEREUQCSA-N -1 3 326.234 3.768 20 0 EHADHM c1ccc(Oc2ccc(NCc3ccc(-c4nnn[n-]4)cc3)cc2)nc1 ZINC000738432975 598872541 /nfs/dbraw/zinc/87/25/41/598872541.db2.gz LEQJOIYSCHRLHU-UHFFFAOYSA-N -1 3 344.378 3.666 20 0 EHADHM c1ccc(Oc2ccc(NCc3ccc(-c4nn[n-]n4)cc3)cc2)nc1 ZINC000738432975 598872543 /nfs/dbraw/zinc/87/25/43/598872543.db2.gz LEQJOIYSCHRLHU-UHFFFAOYSA-N -1 3 344.378 3.666 20 0 EHADHM C[C@H]1C[C@H](c2cccc(F)c2)N(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000820665797 599059911 /nfs/dbraw/zinc/05/99/11/599059911.db2.gz GTNZHNPEFBXVCK-MEDUHNTESA-N -1 3 341.365 3.732 20 0 EHADHM C[C@H]1C[C@H](c2cccc(F)c2)N(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000820665797 599059914 /nfs/dbraw/zinc/05/99/14/599059914.db2.gz GTNZHNPEFBXVCK-MEDUHNTESA-N -1 3 341.365 3.732 20 0 EHADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1F)Oc1ccc(Cl)cc1 ZINC000820276219 599091636 /nfs/dbraw/zinc/09/16/36/599091636.db2.gz UTRDOPGUQQDTOV-JTQLQIEISA-N -1 3 347.781 3.539 20 0 EHADHM CCCCCC[C@H](CC)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736446803 599194919 /nfs/dbraw/zinc/19/49/19/599194919.db2.gz QEIGTPOHZYXIAV-INIZCTEOSA-N -1 3 343.475 3.822 20 0 EHADHM CCCCCC[C@H](CC)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736446803 599194920 /nfs/dbraw/zinc/19/49/20/599194920.db2.gz QEIGTPOHZYXIAV-INIZCTEOSA-N -1 3 343.475 3.822 20 0 EHADHM O=C([O-])c1ccc(CNCc2cccc(OCc3ccccn3)c2)cc1 ZINC000819683680 597137726 /nfs/dbraw/zinc/13/77/26/597137726.db2.gz ITPPSDUNKIYPOD-UHFFFAOYSA-N -1 3 348.402 3.649 20 0 EHADHM FC(F)Sc1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000822736849 607316413 /nfs/dbraw/zinc/31/64/13/607316413.db2.gz LEBKJTJKAWVBKB-UHFFFAOYSA-N -1 3 339.396 3.855 20 0 EHADHM FC(F)Sc1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822736849 607316414 /nfs/dbraw/zinc/31/64/14/607316414.db2.gz LEBKJTJKAWVBKB-UHFFFAOYSA-N -1 3 339.396 3.855 20 0 EHADHM COc1cc([C@@H](C)NCc2cccc(C(=O)[O-])c2)ccc1SC ZINC000820759531 598192159 /nfs/dbraw/zinc/19/21/59/598192159.db2.gz YOMOICYDISGFSC-GFCCVEGCSA-N -1 3 331.437 3.966 20 0 EHADHM CC(C)Oc1ccccc1[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000735914424 598239078 /nfs/dbraw/zinc/23/90/78/598239078.db2.gz SJPJIBXMYKMRHG-GFCCVEGCSA-N -1 3 341.390 3.966 20 0 EHADHM CCc1cccc2c1OCC[C@@H]2Nc1ccc(-c2nn[n-]n2)cc1F ZINC000736694761 598248134 /nfs/dbraw/zinc/24/81/34/598248134.db2.gz BRZMNEYVASEUKN-HNNXBMFYSA-N -1 3 339.374 3.504 20 0 EHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1CCCCCC1 ZINC000735875676 598295233 /nfs/dbraw/zinc/29/52/33/598295233.db2.gz ZFALDWCKUREQHE-UHFFFAOYSA-N -1 3 341.459 3.574 20 0 EHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1CCCCCC1 ZINC000735875676 598295235 /nfs/dbraw/zinc/29/52/35/598295235.db2.gz ZFALDWCKUREQHE-UHFFFAOYSA-N -1 3 341.459 3.574 20 0 EHADHM Cc1cc(C)cc([C@@H](C)Nc2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000737252597 598426097 /nfs/dbraw/zinc/42/60/97/598426097.db2.gz KELJMTDZYOPYPE-LLVKDONJSA-N -1 3 329.354 3.935 20 0 EHADHM Cc1cc(C)cc([C@@H](C)Nc2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000737252597 598426098 /nfs/dbraw/zinc/42/60/98/598426098.db2.gz KELJMTDZYOPYPE-LLVKDONJSA-N -1 3 329.354 3.935 20 0 EHADHM CCc1c(C)sc(NC(=O)c2ccc(C)c(C)c2)c1-c1nnn[n-]1 ZINC000736677027 598517598 /nfs/dbraw/zinc/51/75/98/598517598.db2.gz YLFRABRBURCUIR-UHFFFAOYSA-N -1 3 341.440 3.668 20 0 EHADHM CCc1c(C)sc(NC(=O)c2ccc(C)c(C)c2)c1-c1nn[n-]n1 ZINC000736677027 598517600 /nfs/dbraw/zinc/51/76/00/598517600.db2.gz YLFRABRBURCUIR-UHFFFAOYSA-N -1 3 341.440 3.668 20 0 EHADHM C[C@@H]1CCCN(c2ccccc2OCc2ccccc2-c2nnn[n-]2)C1 ZINC000736279527 598616364 /nfs/dbraw/zinc/61/63/64/598616364.db2.gz YWPIZSLDDXBPLK-OAHLLOKOSA-N -1 3 349.438 3.682 20 0 EHADHM C[C@@H]1CCCN(c2ccccc2OCc2ccccc2-c2nn[n-]n2)C1 ZINC000736279527 598616365 /nfs/dbraw/zinc/61/63/65/598616365.db2.gz YWPIZSLDDXBPLK-OAHLLOKOSA-N -1 3 349.438 3.682 20 0 EHADHM CCN(C(=O)CCCC(C)(C)C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503408 598736208 /nfs/dbraw/zinc/73/62/08/598736208.db2.gz WEKOQPUAGRTPOV-AWEZNQCLSA-N -1 3 343.475 3.993 20 0 EHADHM CCN(C(=O)CCCC(C)(C)C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503408 598736209 /nfs/dbraw/zinc/73/62/09/598736209.db2.gz WEKOQPUAGRTPOV-AWEZNQCLSA-N -1 3 343.475 3.993 20 0 EHADHM CCSc1ccc([C@@H](C)Nc2ncccc2-c2nnn[n-]2)cc1 ZINC000736665216 598755628 /nfs/dbraw/zinc/75/56/28/598755628.db2.gz FXQZKQUWGFELGF-LLVKDONJSA-N -1 3 326.429 3.547 20 0 EHADHM CCSc1ccc([C@@H](C)Nc2ncccc2-c2nn[n-]n2)cc1 ZINC000736665216 598755629 /nfs/dbraw/zinc/75/56/29/598755629.db2.gz FXQZKQUWGFELGF-LLVKDONJSA-N -1 3 326.429 3.547 20 0 EHADHM C[C@@H](N[C@H](C)c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736136122 598786921 /nfs/dbraw/zinc/78/69/21/598786921.db2.gz ZXFCPBRMWCURDW-GHMZBOCLSA-N -1 3 329.354 3.557 20 0 EHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1coc2ccccc12 ZINC000738163837 598822079 /nfs/dbraw/zinc/82/20/79/598822079.db2.gz PXPIVNRIYKMCHS-UHFFFAOYSA-N -1 3 339.742 3.519 20 0 EHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1coc2ccccc12 ZINC000738163837 598822080 /nfs/dbraw/zinc/82/20/80/598822080.db2.gz PXPIVNRIYKMCHS-UHFFFAOYSA-N -1 3 339.742 3.519 20 0 EHADHM Fc1ccc(NCc2cc(Cl)ccc2Cl)cc1-c1nnn[n-]1 ZINC000737655644 599331586 /nfs/dbraw/zinc/33/15/86/599331586.db2.gz BBZCEUXVSZIJRQ-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM Fc1ccc(NCc2cc(Cl)ccc2Cl)cc1-c1nn[n-]n1 ZINC000737655644 599331589 /nfs/dbraw/zinc/33/15/89/599331589.db2.gz BBZCEUXVSZIJRQ-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM COc1ccc(OCc2ccccc2-c2nnn[n-]2)c2ccccc12 ZINC000821845073 599388968 /nfs/dbraw/zinc/38/89/68/599388968.db2.gz ABMYVUCUTROBTQ-UHFFFAOYSA-N -1 3 332.363 3.608 20 0 EHADHM COc1ccc(OCc2ccccc2-c2nn[n-]n2)c2ccccc12 ZINC000821845073 599388971 /nfs/dbraw/zinc/38/89/71/599388971.db2.gz ABMYVUCUTROBTQ-UHFFFAOYSA-N -1 3 332.363 3.608 20 0 EHADHM CCCCCC[C@@H](C)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821049232 599404849 /nfs/dbraw/zinc/40/48/49/599404849.db2.gz JELVUVPPRKZEBL-KGLIPLIRSA-N -1 3 344.463 3.586 20 0 EHADHM CCCCCC[C@@H](C)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821049232 599404851 /nfs/dbraw/zinc/40/48/51/599404851.db2.gz JELVUVPPRKZEBL-KGLIPLIRSA-N -1 3 344.463 3.586 20 0 EHADHM C[C@@H]1C[C@@H]1c1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)o1 ZINC000736236329 599413400 /nfs/dbraw/zinc/41/34/00/599413400.db2.gz JKKJNIASLKBFLD-RNCFNFMXSA-N -1 3 329.791 3.849 20 0 EHADHM C[C@@H]1C[C@@H]1c1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)o1 ZINC000736236329 599413403 /nfs/dbraw/zinc/41/34/03/599413403.db2.gz JKKJNIASLKBFLD-RNCFNFMXSA-N -1 3 329.791 3.849 20 0 EHADHM Cc1ccc2c(c1)[C@H](Nc1cc(-c3nnn[n-]3)c3ccccc3n1)CC2 ZINC000737372153 599431280 /nfs/dbraw/zinc/43/12/80/599431280.db2.gz VJRKUSRSOIEFTP-GOSISDBHSA-N -1 3 342.406 3.823 20 0 EHADHM Cc1ccc2c(c1)[C@H](Nc1cc(-c3nn[n-]n3)c3ccccc3n1)CC2 ZINC000737372153 599431283 /nfs/dbraw/zinc/43/12/83/599431283.db2.gz VJRKUSRSOIEFTP-GOSISDBHSA-N -1 3 342.406 3.823 20 0 EHADHM CCc1c(C)sc(NC(=O)[C@@H](C)c2cccs2)c1-c1nnn[n-]1 ZINC000736670323 599544463 /nfs/dbraw/zinc/54/44/63/599544463.db2.gz MOBUNVKTDCONDT-QMMMGPOBSA-N -1 3 347.469 3.603 20 0 EHADHM CCc1c(C)sc(NC(=O)[C@@H](C)c2cccs2)c1-c1nn[n-]n1 ZINC000736670323 599544466 /nfs/dbraw/zinc/54/44/66/599544466.db2.gz MOBUNVKTDCONDT-QMMMGPOBSA-N -1 3 347.469 3.603 20 0 EHADHM CCCCC[C@@H](C)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000821048994 599628581 /nfs/dbraw/zinc/62/85/81/599628581.db2.gz IOXOCAVEOZMGCD-LLVKDONJSA-N -1 3 347.488 3.962 20 0 EHADHM CCCCC[C@@H](C)CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000821048994 599628582 /nfs/dbraw/zinc/62/85/82/599628582.db2.gz IOXOCAVEOZMGCD-LLVKDONJSA-N -1 3 347.488 3.962 20 0 EHADHM CSc1ccc(F)cc1CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000821985068 599686977 /nfs/dbraw/zinc/68/69/77/599686977.db2.gz YFSPEIXPJYANAX-UHFFFAOYSA-N -1 3 349.822 3.993 20 0 EHADHM CSc1ccc(F)cc1CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000821985068 599686978 /nfs/dbraw/zinc/68/69/78/599686978.db2.gz YFSPEIXPJYANAX-UHFFFAOYSA-N -1 3 349.822 3.993 20 0 EHADHM Cc1cc(CN2CCC(Cc3ccc(F)cc3)CC2)oc1C(=O)[O-] ZINC000652407380 599717477 /nfs/dbraw/zinc/71/74/77/599717477.db2.gz LNICBDRAPWMDCJ-UHFFFAOYSA-N -1 3 331.387 3.880 20 0 EHADHM Cc1cc(NC(=O)c2cccc(CN3CCCC3)c2)ccc1C(=O)[O-] ZINC000237837273 599949048 /nfs/dbraw/zinc/94/90/48/599949048.db2.gz DQYRQRUKOXJONF-UHFFFAOYSA-N -1 3 338.407 3.541 20 0 EHADHM C[C@@H](N[C@H](C(=O)[O-])c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000736662689 600417100 /nfs/dbraw/zinc/41/71/00/600417100.db2.gz RVZADIBKPACIJJ-DIFFPNOSSA-N -1 3 347.798 3.588 20 0 EHADHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(OC(F)F)cc1 ZINC000736662648 600420419 /nfs/dbraw/zinc/42/04/19/600420419.db2.gz QSXAYJZHIOQXME-ZUZCIYMTSA-N -1 3 339.313 3.904 20 0 EHADHM CCOCc1ccccc1CN[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737178401 600421682 /nfs/dbraw/zinc/42/16/82/600421682.db2.gz UTCXJMCYWMZYFS-QGZVFWFLSA-N -1 3 333.815 3.792 20 0 EHADHM Cc1[nH]c2ccc(CN[C@@H](C(=O)[O-])c3ccc(F)cc3)cc2c1C ZINC000738247266 600428852 /nfs/dbraw/zinc/42/88/52/600428852.db2.gz YYLINXYFDGTSEO-GOSISDBHSA-N -1 3 326.371 3.839 20 0 EHADHM CCOc1cc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)ccc1OC ZINC000426733357 600437394 /nfs/dbraw/zinc/43/73/94/600437394.db2.gz XQFFXRGCFJAMNG-KRWDZBQOSA-N -1 3 349.814 3.663 20 0 EHADHM Fc1cc(-c2nnn[n-]2)ccc1C=Cc1nc2cc(Cl)ccc2o1 ZINC000822741445 607456508 /nfs/dbraw/zinc/45/65/08/607456508.db2.gz XEGVTYDSYRYYAV-UTCJRWHESA-N -1 3 341.733 3.971 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1C=Cc1nc2cc(Cl)ccc2o1 ZINC000822741445 607456510 /nfs/dbraw/zinc/45/65/10/607456510.db2.gz XEGVTYDSYRYYAV-UTCJRWHESA-N -1 3 341.733 3.971 20 0 EHADHM CC(C)CCOCCN[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000826856064 600743857 /nfs/dbraw/zinc/74/38/57/600743857.db2.gz XLWKYTGMQBEREK-CQSZACIVSA-N -1 3 334.243 3.771 20 0 EHADHM Cc1cccc(NC2CCN([C@@H](C)c3ccc(C(=O)[O-])o3)CC2)c1 ZINC000738735952 600796704 /nfs/dbraw/zinc/79/67/04/600796704.db2.gz FRHUKQPNINJHBO-AWEZNQCLSA-N -1 3 328.412 3.924 20 0 EHADHM COc1ccc(C2CCN(Cc3cc(C(=O)[O-])oc3C)CC2)cc1 ZINC000652411786 600798664 /nfs/dbraw/zinc/79/86/64/600798664.db2.gz TTXAEBUKNPFJRZ-UHFFFAOYSA-N -1 3 329.396 3.674 20 0 EHADHM CCn1c(C)cc2c1CCC[C@@H]2N[C@H](C(=O)[O-])c1ccccc1F ZINC000830412654 600994260 /nfs/dbraw/zinc/99/42/60/600994260.db2.gz XLIDKUYYAORBCA-WMZOPIPTSA-N -1 3 330.403 3.748 20 0 EHADHM Cc1cccc(NC2CCN([C@@H](C(=O)[O-])c3ccccc3F)CC2)c1 ZINC000832970892 601016168 /nfs/dbraw/zinc/01/61/68/601016168.db2.gz LTKVMLYOOILPGU-LJQANCHMSA-N -1 3 342.414 3.836 20 0 EHADHM C[C@](NCc1csc(-c2ccc(Cl)cc2)n1)(C(=O)[O-])C1CC1 ZINC000827741898 601032769 /nfs/dbraw/zinc/03/27/69/601032769.db2.gz WORYNNXZSLPCHZ-MRXNPFEDSA-N -1 3 336.844 3.806 20 0 EHADHM CSCc1cc(F)ccc1CN[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000832770735 601496519 /nfs/dbraw/zinc/49/65/19/601496519.db2.gz CZTFLNYTGQQDJH-MRXNPFEDSA-N -1 3 337.391 3.743 20 0 EHADHM COc1ccc2c(c1)CCCN(Cc1cc(C(=O)[O-])sc1C)C2 ZINC000832493506 601628768 /nfs/dbraw/zinc/62/87/68/601628768.db2.gz FWLIGBIBXQFVSA-UHFFFAOYSA-N -1 3 331.437 3.712 20 0 EHADHM CC(C)(NCc1c[nH]c(C(=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000826630373 601832456 /nfs/dbraw/zinc/83/24/56/601832456.db2.gz DDHUAJFIFWTBNP-UHFFFAOYSA-N -1 3 326.318 3.757 20 0 EHADHM O=C([O-])CCC1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000578242236 601841466 /nfs/dbraw/zinc/84/14/66/601841466.db2.gz OFWPABAJKSPOFD-UHFFFAOYSA-N -1 3 332.375 3.558 20 0 EHADHM CN(c1ccccc1)C1CCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC000830888094 601945108 /nfs/dbraw/zinc/94/51/08/601945108.db2.gz GGGGPFNTPXQVFS-UHFFFAOYSA-N -1 3 330.453 3.547 20 0 EHADHM O=C([O-])c1cc(CN[C@@H]2CC3(CCCC3)Oc3ccccc32)c[nH]1 ZINC000833296639 602233213 /nfs/dbraw/zinc/23/32/13/602233213.db2.gz NFERXSARQJSCET-MRXNPFEDSA-N -1 3 326.396 3.639 20 0 EHADHM C[C@H](NC(=O)[O-])C1CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000739014831 602448058 /nfs/dbraw/zinc/44/80/58/602448058.db2.gz KSGUIPYKPCRRBC-LBPRGKRZSA-N -1 3 347.846 3.756 20 0 EHADHM CN(CCCNCc1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000739684487 602648773 /nfs/dbraw/zinc/64/87/73/602648773.db2.gz JEAKCAWZQIIILL-UHFFFAOYSA-N -1 3 339.848 3.553 20 0 EHADHM C[C@H]1CCc2c(F)cccc2[C@H]1NCc1ccc(NC(=O)[O-])nc1 ZINC000825955454 603559201 /nfs/dbraw/zinc/55/92/01/603559201.db2.gz IEXHEJSHUQMGBZ-GTNSWQLSSA-N -1 3 329.375 3.724 20 0 EHADHM C[C@@H]1CCc2c(F)cccc2[C@H]1NCc1ccc(NC(=O)[O-])nc1 ZINC000825955453 603559895 /nfs/dbraw/zinc/55/98/95/603559895.db2.gz IEXHEJSHUQMGBZ-DIFFPNOSSA-N -1 3 329.375 3.724 20 0 EHADHM Cc1ccc(-c2nc(CNCCC3CCN(C(=O)[O-])CC3)co2)cc1 ZINC000830154982 603604018 /nfs/dbraw/zinc/60/40/18/603604018.db2.gz LMFTYJPOCNMRFH-UHFFFAOYSA-N -1 3 343.427 3.520 20 0 EHADHM Fc1ccc(Cc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)cc1 ZINC000826374765 607644850 /nfs/dbraw/zinc/64/48/50/607644850.db2.gz LOVJGBSMCRHWBW-UHFFFAOYSA-N -1 3 337.383 3.720 20 0 EHADHM Fc1ccc(Cc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000826374765 607644852 /nfs/dbraw/zinc/64/48/52/607644852.db2.gz LOVJGBSMCRHWBW-UHFFFAOYSA-N -1 3 337.383 3.720 20 0 EHADHM CC[C@H](c1ccccc1)N(CC)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825159208 607674765 /nfs/dbraw/zinc/67/47/65/607674765.db2.gz LEVOTAUTSWUDQF-GOSISDBHSA-N -1 3 349.438 3.789 20 0 EHADHM CC[C@H](c1ccccc1)N(CC)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825159208 607674767 /nfs/dbraw/zinc/67/47/67/607674767.db2.gz LEVOTAUTSWUDQF-GOSISDBHSA-N -1 3 349.438 3.789 20 0 EHADHM Fc1cc(-c2ccncc2)ccc1C=Cc1ccc(-c2nnn[n-]2)cn1 ZINC000826371348 607681779 /nfs/dbraw/zinc/68/17/79/607681779.db2.gz CLBZUTLYYVUWSC-HWKANZROSA-N -1 3 344.353 3.633 20 0 EHADHM Fc1cc(-c2ccncc2)ccc1C=Cc1ccc(-c2nn[n-]n2)cn1 ZINC000826371348 607681781 /nfs/dbraw/zinc/68/17/81/607681781.db2.gz CLBZUTLYYVUWSC-HWKANZROSA-N -1 3 344.353 3.633 20 0 EHADHM C[C@H](NC(=O)[O-])c1ccc(CN[C@@H]2CCc3c2cccc3F)cc1 ZINC000825398676 604303614 /nfs/dbraw/zinc/30/36/14/604303614.db2.gz ZOIWUEOVBYRLAL-KPZWWZAWSA-N -1 3 328.387 3.931 20 0 EHADHM C[C@@H](Oc1ccc(CN(C)[C@@H](C)c2ccc(F)cc2)cc1)C(=O)[O-] ZINC000833538788 604523236 /nfs/dbraw/zinc/52/32/36/604523236.db2.gz VOWMITVKQIMQGA-UONOGXRCSA-N -1 3 331.387 3.871 20 0 EHADHM O=C([O-])CCCN(Cc1cnn(-c2ccccc2)c1)Cc1ccccc1 ZINC000833226866 604786683 /nfs/dbraw/zinc/78/66/83/604786683.db2.gz OSOXIEYYFDAPNL-UHFFFAOYSA-N -1 3 349.434 3.739 20 0 EHADHM C[C@@]1(NCc2coc(-c3ccc(F)cc3)n2)CCCC[C@@H]1C(=O)[O-] ZINC000833568961 604813474 /nfs/dbraw/zinc/81/34/74/604813474.db2.gz JHLZPILYPSCJCZ-CRAIPNDOSA-N -1 3 332.375 3.604 20 0 EHADHM C[C@]1(NCc2coc(-c3cccc(F)c3)n2)CCCC[C@H]1C(=O)[O-] ZINC000833568280 604820697 /nfs/dbraw/zinc/82/06/97/604820697.db2.gz CSISPIQFPYPGOZ-YJBOKZPZSA-N -1 3 332.375 3.604 20 0 EHADHM O=C([O-])[C@@H](NCc1cccc(COc2ccccc2)c1)c1cccnc1 ZINC000833169042 604995962 /nfs/dbraw/zinc/99/59/62/604995962.db2.gz CRDLQLCKPTZNFS-FQEVSTJZSA-N -1 3 348.402 3.576 20 0 EHADHM Cc1ccc(-c2nc(CN[C@@]3(C)CCCC[C@@H]3C(=O)[O-])co2)cc1 ZINC000833746385 605062328 /nfs/dbraw/zinc/06/23/28/605062328.db2.gz CTCGCVBTKCCLEL-APWZRJJASA-N -1 3 328.412 3.773 20 0 EHADHM C[C@]1(NCc2nc(-c3cccc(Cl)c3)no2)CCCC[C@H]1C(=O)[O-] ZINC000833570315 605063344 /nfs/dbraw/zinc/06/33/44/605063344.db2.gz QUVKBLPCLSOTHG-GUYCJALGSA-N -1 3 349.818 3.513 20 0 EHADHM C/C(=C/CN[C@H](COCc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000833384691 605141035 /nfs/dbraw/zinc/14/10/35/605141035.db2.gz RCZGHVINRHCAKF-KVVHSQDJSA-N -1 3 325.408 3.565 20 0 EHADHM CCc1oc(C(=O)[O-])cc1CN1CCC(c2ccc(C)nc2)CC1 ZINC000833679237 605272706 /nfs/dbraw/zinc/27/27/06/605272706.db2.gz WXVXIXCTEONWEA-UHFFFAOYSA-N -1 3 328.412 3.623 20 0 EHADHM O=C([O-])N[C@@H]1C[C@H](N[C@H]2CCc3c2cccc3F)c2ccccc21 ZINC000834158215 605797601 /nfs/dbraw/zinc/79/76/01/605797601.db2.gz KPYMDTBJQVFOLG-OKZBNKHCSA-N -1 3 326.371 3.856 20 0 EHADHM O=C([O-])N[C@@H]1C[C@@H](N[C@@H]2CCc3cc(F)ccc32)c2ccccc21 ZINC000834158991 605798427 /nfs/dbraw/zinc/79/84/27/605798427.db2.gz NOLSCDVKFQQAKZ-KZNAEPCWSA-N -1 3 326.371 3.856 20 0 EHADHM Fc1ccc2c(c1)[C@@H](Nc1nc3ccccc3cc1-c1nnn[n-]1)CC2 ZINC000822787337 606080393 /nfs/dbraw/zinc/08/03/93/606080393.db2.gz YYYLAODGOYFUTL-KRWDZBQOSA-N -1 3 346.369 3.653 20 0 EHADHM Fc1ccc2c(c1)[C@@H](Nc1nc3ccccc3cc1-c1nn[n-]n1)CC2 ZINC000822787337 606080398 /nfs/dbraw/zinc/08/03/98/606080398.db2.gz YYYLAODGOYFUTL-KRWDZBQOSA-N -1 3 346.369 3.653 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1c(Cl)cccc1Cl ZINC000822220489 606152129 /nfs/dbraw/zinc/15/21/29/606152129.db2.gz SZVANWHDLPQEOZ-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1c(Cl)cccc1Cl ZINC000822220489 606152130 /nfs/dbraw/zinc/15/21/30/606152130.db2.gz SZVANWHDLPQEOZ-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Fc1ccccc1CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000822795512 606174860 /nfs/dbraw/zinc/17/48/60/606174860.db2.gz BSASTAZDCQXBJC-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Fc1ccccc1CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000822795512 606174862 /nfs/dbraw/zinc/17/48/62/606174862.db2.gz BSASTAZDCQXBJC-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM CCCCOc1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000821077516 606213209 /nfs/dbraw/zinc/21/32/09/606213209.db2.gz JJEJNWXOIKSIFP-UHFFFAOYSA-N -1 3 329.429 3.719 20 0 EHADHM CCCCOc1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000821077516 606213210 /nfs/dbraw/zinc/21/32/10/606213210.db2.gz JJEJNWXOIKSIFP-UHFFFAOYSA-N -1 3 329.429 3.719 20 0 EHADHM CC[C@H](CC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000820882226 606273124 /nfs/dbraw/zinc/27/31/24/606273124.db2.gz MTAYUWOSPIKXBU-GFCCVEGCSA-N -1 3 339.374 3.528 20 0 EHADHM CC[C@H](CC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000820882226 606273126 /nfs/dbraw/zinc/27/31/26/606273126.db2.gz MTAYUWOSPIKXBU-GFCCVEGCSA-N -1 3 339.374 3.528 20 0 EHADHM CC(C)=C(C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820005360 606287141 /nfs/dbraw/zinc/28/71/41/606287141.db2.gz OMLMEQQSZJNZHY-UHFFFAOYSA-N -1 3 349.394 3.954 20 0 EHADHM CC(C)=C(C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820005360 606287142 /nfs/dbraw/zinc/28/71/42/606287142.db2.gz OMLMEQQSZJNZHY-UHFFFAOYSA-N -1 3 349.394 3.954 20 0 EHADHM Cc1cccc(C2(C(=O)O[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000822299641 606351998 /nfs/dbraw/zinc/35/19/98/606351998.db2.gz PXHRZPLLMFZSGM-AWEZNQCLSA-N -1 3 348.406 3.511 20 0 EHADHM Cc1cccc(C2(C(=O)O[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000822299641 606352000 /nfs/dbraw/zinc/35/20/00/606352000.db2.gz PXHRZPLLMFZSGM-AWEZNQCLSA-N -1 3 348.406 3.511 20 0 EHADHM Cc1cccc([C@H](C)C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822288868 606360516 /nfs/dbraw/zinc/36/05/16/606360516.db2.gz LOGYCQHMYXQVED-UONOGXRCSA-N -1 3 336.395 3.583 20 0 EHADHM Cc1cccc([C@H](C)C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822288868 606360518 /nfs/dbraw/zinc/36/05/18/606360518.db2.gz LOGYCQHMYXQVED-UONOGXRCSA-N -1 3 336.395 3.583 20 0 EHADHM CC[C@@H](Nc1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(OC)cc1 ZINC000820926766 606441582 /nfs/dbraw/zinc/44/15/82/606441582.db2.gz WOIORZXVDDISIZ-OAHLLOKOSA-N -1 3 345.353 3.717 20 0 EHADHM CC[C@@H](Nc1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(OC)cc1 ZINC000820926766 606441583 /nfs/dbraw/zinc/44/15/83/606441583.db2.gz WOIORZXVDDISIZ-OAHLLOKOSA-N -1 3 345.353 3.717 20 0 EHADHM CC(C)CCc1ccccc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820081294 606500564 /nfs/dbraw/zinc/50/05/64/606500564.db2.gz ARJZDHPZZXOFRV-UHFFFAOYSA-N -1 3 341.440 3.769 20 0 EHADHM CC(C)CCc1ccccc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820081294 606500565 /nfs/dbraw/zinc/50/05/65/606500565.db2.gz ARJZDHPZZXOFRV-UHFFFAOYSA-N -1 3 341.440 3.769 20 0 EHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1cc(F)ccc1F ZINC000820155752 606595864 /nfs/dbraw/zinc/59/58/64/606595864.db2.gz WIIUCANYAFQWMB-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1cc(F)ccc1F ZINC000820155752 606595865 /nfs/dbraw/zinc/59/58/65/606595865.db2.gz WIIUCANYAFQWMB-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM CC(C)c1cnc(CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820198478 606636844 /nfs/dbraw/zinc/63/68/44/606636844.db2.gz XITVPEPGOXGWPG-LLVKDONJSA-N -1 3 329.429 3.973 20 0 EHADHM CC(C)c1cnc(CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820198478 606636845 /nfs/dbraw/zinc/63/68/45/606636845.db2.gz XITVPEPGOXGWPG-LLVKDONJSA-N -1 3 329.429 3.973 20 0 EHADHM CC(C)CC1(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC000820062726 606684022 /nfs/dbraw/zinc/68/40/22/606684022.db2.gz NXNNWYUTFRHBBD-AWEZNQCLSA-N -1 3 341.459 3.650 20 0 EHADHM CC(C)CC1(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC000820062726 606684023 /nfs/dbraw/zinc/68/40/23/606684023.db2.gz NXNNWYUTFRHBBD-AWEZNQCLSA-N -1 3 341.459 3.650 20 0 EHADHM COc1cccc(C=C2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000821863682 606725088 /nfs/dbraw/zinc/72/50/88/606725088.db2.gz MTMJSSYPQHOYQZ-UHFFFAOYSA-N -1 3 347.422 3.559 20 0 EHADHM Fc1cccc([C@@H](Nc2ncccc2-c2nnn[n-]2)c2ccccc2)c1 ZINC000822787326 606734397 /nfs/dbraw/zinc/73/43/97/606734397.db2.gz YKVOYLUHDKYADB-KRWDZBQOSA-N -1 3 346.369 3.602 20 0 EHADHM Fc1cccc([C@@H](Nc2ncccc2-c2nn[n-]n2)c2ccccc2)c1 ZINC000822787326 606734399 /nfs/dbraw/zinc/73/43/99/606734399.db2.gz YKVOYLUHDKYADB-KRWDZBQOSA-N -1 3 346.369 3.602 20 0 EHADHM Clc1ccc(-c2nnn[n-]2)c(OCc2nc3ccccc3s2)c1 ZINC000822574068 606787099 /nfs/dbraw/zinc/78/70/99/606787099.db2.gz NOIBWUHUZWMZNU-UHFFFAOYSA-N -1 3 343.799 3.709 20 0 EHADHM Clc1ccc(-c2nn[n-]n2)c(OCc2nc3ccccc3s2)c1 ZINC000822574068 606787102 /nfs/dbraw/zinc/78/71/02/606787102.db2.gz NOIBWUHUZWMZNU-UHFFFAOYSA-N -1 3 343.799 3.709 20 0 EHADHM CCN(C(=O)C[C@@H]1CC[C@@H](C)C1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821148970 607032905 /nfs/dbraw/zinc/03/29/05/607032905.db2.gz RJHVJXDWIGSOJA-QLFBSQMISA-N -1 3 341.459 3.603 20 0 EHADHM CCN(C(=O)C[C@@H]1CC[C@@H](C)C1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821148970 607032906 /nfs/dbraw/zinc/03/29/06/607032906.db2.gz RJHVJXDWIGSOJA-QLFBSQMISA-N -1 3 341.459 3.603 20 0 EHADHM CCOc1ccc(SCc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000821426917 607037546 /nfs/dbraw/zinc/03/75/46/607037546.db2.gz KDEHBYQMVUITRS-UHFFFAOYSA-N -1 3 330.388 3.697 20 0 EHADHM CCOc1ccc(SCc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000821426917 607037547 /nfs/dbraw/zinc/03/75/47/607037547.db2.gz KDEHBYQMVUITRS-UHFFFAOYSA-N -1 3 330.388 3.697 20 0 EHADHM C[C@@H]1CC[C@H](CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)C1 ZINC000820684570 607052085 /nfs/dbraw/zinc/05/20/85/607052085.db2.gz RIQVMAWXUVFZOS-MNOVXSKESA-N -1 3 345.472 3.572 20 0 EHADHM C[C@@H]1CC[C@H](CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C1 ZINC000820684570 607052087 /nfs/dbraw/zinc/05/20/87/607052087.db2.gz RIQVMAWXUVFZOS-MNOVXSKESA-N -1 3 345.472 3.572 20 0 EHADHM Cc1sc(NC(=O)CC2(C)CCCCC2)c(-c2nnn[n-]2)c1C ZINC000826349560 607793292 /nfs/dbraw/zinc/79/32/92/607793292.db2.gz MJDYJNCYVZIYMZ-UHFFFAOYSA-N -1 3 333.461 3.844 20 0 EHADHM Cc1sc(NC(=O)CC2(C)CCCCC2)c(-c2nn[n-]n2)c1C ZINC000826349560 607793293 /nfs/dbraw/zinc/79/32/93/607793293.db2.gz MJDYJNCYVZIYMZ-UHFFFAOYSA-N -1 3 333.461 3.844 20 0 EHADHM Cc1noc(C)c1CCS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826338974 607880695 /nfs/dbraw/zinc/88/06/95/607880695.db2.gz NIQVXZNSPSGGHA-LBPRGKRZSA-N -1 3 329.429 3.508 20 0 EHADHM Cc1noc(C)c1CCS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826338974 607880696 /nfs/dbraw/zinc/88/06/96/607880696.db2.gz NIQVXZNSPSGGHA-LBPRGKRZSA-N -1 3 329.429 3.508 20 0 EHADHM Fc1ccc(C=Cc2nc3cc(Cl)ccc3o2)cc1-c1nnn[n-]1 ZINC000826374168 607915783 /nfs/dbraw/zinc/91/57/83/607915783.db2.gz OGIFOAITYOKNLB-QHHAFSJGSA-N -1 3 341.733 3.971 20 0 EHADHM Fc1ccc(C=Cc2nc3cc(Cl)ccc3o2)cc1-c1nn[n-]n1 ZINC000826374168 607915784 /nfs/dbraw/zinc/91/57/84/607915784.db2.gz OGIFOAITYOKNLB-QHHAFSJGSA-N -1 3 341.733 3.971 20 0 EHADHM Cc1sc(NC(=O)[C@@H]2CCCC(C)(C)C2)c(-c2nnn[n-]2)c1C ZINC000826349540 607921816 /nfs/dbraw/zinc/92/18/16/607921816.db2.gz LJSBWVURKJSQKZ-LLVKDONJSA-N -1 3 333.461 3.700 20 0 EHADHM Cc1sc(NC(=O)[C@@H]2CCCC(C)(C)C2)c(-c2nn[n-]n2)c1C ZINC000826349540 607921817 /nfs/dbraw/zinc/92/18/17/607921817.db2.gz LJSBWVURKJSQKZ-LLVKDONJSA-N -1 3 333.461 3.700 20 0 EHADHM CC(C)c1cc(NCc2cccc(-c3nnn[n-]3)c2)nc(C(C)C)n1 ZINC000824347758 608047989 /nfs/dbraw/zinc/04/79/89/608047989.db2.gz MUNWUJWPBIBEGA-UHFFFAOYSA-N -1 3 337.431 3.516 20 0 EHADHM CC(C)c1cc(NCc2cccc(-c3nn[n-]n3)c2)nc(C(C)C)n1 ZINC000824347758 608047990 /nfs/dbraw/zinc/04/79/90/608047990.db2.gz MUNWUJWPBIBEGA-UHFFFAOYSA-N -1 3 337.431 3.516 20 0 EHADHM Cc1cn(C2CCCCC2)nc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000826317226 608134737 /nfs/dbraw/zinc/13/47/37/608134737.db2.gz SZZOLPLJESGQFM-UHFFFAOYSA-N -1 3 343.460 3.550 20 0 EHADHM Cc1cn(C2CCCCC2)nc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000826317226 608134738 /nfs/dbraw/zinc/13/47/38/608134738.db2.gz SZZOLPLJESGQFM-UHFFFAOYSA-N -1 3 343.460 3.550 20 0 EHADHM c1cc([C@H]2CCCN2c2ccc3cc(-c4nnn[n-]4)ccc3n2)cs1 ZINC000826514834 608224015 /nfs/dbraw/zinc/22/40/15/608224015.db2.gz DZIGYTCEZFERRA-MRXNPFEDSA-N -1 3 348.435 3.818 20 0 EHADHM c1cc([C@H]2CCCN2c2ccc3cc(-c4nn[n-]n4)ccc3n2)cs1 ZINC000826514834 608224017 /nfs/dbraw/zinc/22/40/17/608224017.db2.gz DZIGYTCEZFERRA-MRXNPFEDSA-N -1 3 348.435 3.818 20 0 EHADHM C[C@@H](OC(=O)[C@H](c1ccccc1)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824713077 608246507 /nfs/dbraw/zinc/24/65/07/608246507.db2.gz GJVKPDXNEAZBBF-FZKQIMNGSA-N -1 3 348.406 3.665 20 0 EHADHM C[C@@H](OC(=O)[C@H](c1ccccc1)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824713077 608246509 /nfs/dbraw/zinc/24/65/09/608246509.db2.gz GJVKPDXNEAZBBF-FZKQIMNGSA-N -1 3 348.406 3.665 20 0 EHADHM CCN(C(=O)[C@H](C)C1CCCC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825363290 608344457 /nfs/dbraw/zinc/34/44/57/608344457.db2.gz WUMAJHUCUNJMDY-LLVKDONJSA-N -1 3 347.850 3.699 20 0 EHADHM CCN(C(=O)[C@H](C)C1CCCC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825363290 608344460 /nfs/dbraw/zinc/34/44/60/608344460.db2.gz WUMAJHUCUNJMDY-LLVKDONJSA-N -1 3 347.850 3.699 20 0 EHADHM c1ccc2c(c1)nc(N1CCC[C@@H]1C1CCCC1)cc2-c1nnn[n-]1 ZINC000826522592 608372605 /nfs/dbraw/zinc/37/26/05/608372605.db2.gz HKXRJPCNNYQLHN-QGZVFWFLSA-N -1 3 334.427 3.574 20 0 EHADHM c1ccc2c(c1)nc(N1CCC[C@@H]1C1CCCC1)cc2-c1nn[n-]n1 ZINC000826522592 608372607 /nfs/dbraw/zinc/37/26/07/608372607.db2.gz HKXRJPCNNYQLHN-QGZVFWFLSA-N -1 3 334.427 3.574 20 0 EHADHM COc1cc(-c2nnn[n-]2)ccc1CNc1cccc(SC)c1C ZINC000826170528 608390065 /nfs/dbraw/zinc/39/00/65/608390065.db2.gz DKBHSROEQAAZIX-UHFFFAOYSA-N -1 3 341.440 3.518 20 0 EHADHM COc1cc(-c2nn[n-]n2)ccc1CNc1cccc(SC)c1C ZINC000826170528 608390067 /nfs/dbraw/zinc/39/00/67/608390067.db2.gz DKBHSROEQAAZIX-UHFFFAOYSA-N -1 3 341.440 3.518 20 0 EHADHM Cc1cccc(CN(Cc2ccco2)Cc2ccc(-c3nn[n-]n3)o2)c1 ZINC000826298578 608527517 /nfs/dbraw/zinc/52/75/17/608527517.db2.gz ZRWOWIMNALWQPZ-UHFFFAOYSA-N -1 3 349.394 3.564 20 0 EHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1c(F)cccc1F ZINC000824293856 608532338 /nfs/dbraw/zinc/53/23/38/608532338.db2.gz ZVALILXBUZXSTH-UHFFFAOYSA-N -1 3 343.381 3.556 20 0 EHADHM C[C@H](NCc1ccc([C@@H]2C[C@@H]2C)o1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824614199 609133693 /nfs/dbraw/zinc/13/36/93/609133693.db2.gz ZHQJBAFGATXRPQ-ZIBATOQPSA-N -1 3 341.390 3.573 20 0 EHADHM C[C@H](NCc1ccc([C@@H]2C[C@@H]2C)o1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824614199 609133694 /nfs/dbraw/zinc/13/36/94/609133694.db2.gz ZHQJBAFGATXRPQ-ZIBATOQPSA-N -1 3 341.390 3.573 20 0 EHADHM C[C@@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)c1c(F)cccc1F ZINC000824532233 609134810 /nfs/dbraw/zinc/13/48/10/609134810.db2.gz SUINGRAIMKVLGP-VHSXEESVSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)c1c(F)cccc1F ZINC000824532233 609134812 /nfs/dbraw/zinc/13/48/12/609134812.db2.gz SUINGRAIMKVLGP-VHSXEESVSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@H](Nc1ccccc1OC(F)F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824662278 609271520 /nfs/dbraw/zinc/27/15/20/609271520.db2.gz HJGIKUYLDKYYNR-VIFPVBQESA-N -1 3 349.316 3.780 20 0 EHADHM C[C@H](Nc1ccccc1OC(F)F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824662278 609271521 /nfs/dbraw/zinc/27/15/21/609271521.db2.gz HJGIKUYLDKYYNR-VIFPVBQESA-N -1 3 349.316 3.780 20 0 EHADHM C[C@H](NCc1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000824606554 609332193 /nfs/dbraw/zinc/33/21/93/609332193.db2.gz QAGUSUABLFBGFV-VIFPVBQESA-N -1 3 349.772 3.649 20 0 EHADHM C[C@H](NCc1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000824606554 609332194 /nfs/dbraw/zinc/33/21/94/609332194.db2.gz QAGUSUABLFBGFV-VIFPVBQESA-N -1 3 349.772 3.649 20 0 EHADHM CC(=Cc1ccc(C)cc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000823944148 609449803 /nfs/dbraw/zinc/44/98/03/609449803.db2.gz YUTQOWCBUXUMDK-GXDHUFHOSA-N -1 3 333.395 3.526 20 0 EHADHM CC(=Cc1ccc(C)cc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000823944148 609449805 /nfs/dbraw/zinc/44/98/05/609449805.db2.gz YUTQOWCBUXUMDK-GXDHUFHOSA-N -1 3 333.395 3.526 20 0 EHADHM CC(=Cc1ccc(C)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000823943713 609451211 /nfs/dbraw/zinc/45/12/11/609451211.db2.gz RHFGXJUQCQMHDP-QBFSEMIESA-N -1 3 333.395 3.526 20 0 EHADHM CC(=Cc1ccc(C)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000823943713 609451213 /nfs/dbraw/zinc/45/12/13/609451213.db2.gz RHFGXJUQCQMHDP-QBFSEMIESA-N -1 3 333.395 3.526 20 0 EHADHM Cc1ccnc(N[C@@H](C)c2cccc(C(F)(F)F)c2)c1-c1nnn[n-]1 ZINC000826311548 609521104 /nfs/dbraw/zinc/52/11/04/609521104.db2.gz HSMVLWPIPRESNR-JTQLQIEISA-N -1 3 348.332 3.762 20 0 EHADHM Cc1ccnc(N[C@@H](C)c2cccc(C(F)(F)F)c2)c1-c1nn[n-]n1 ZINC000826311548 609521106 /nfs/dbraw/zinc/52/11/06/609521106.db2.gz HSMVLWPIPRESNR-JTQLQIEISA-N -1 3 348.332 3.762 20 0 EHADHM Cc1ccc(C)c([C@@H]2CCCN2c2nccc(C)c2-c2nnn[n-]2)c1 ZINC000826285051 609577098 /nfs/dbraw/zinc/57/70/98/609577098.db2.gz OHBKBZGMIFYCFF-INIZCTEOSA-N -1 3 334.427 3.528 20 0 EHADHM Cc1ccc(C)c([C@@H]2CCCN2c2nccc(C)c2-c2nn[n-]n2)c1 ZINC000826285051 609577101 /nfs/dbraw/zinc/57/71/01/609577101.db2.gz OHBKBZGMIFYCFF-INIZCTEOSA-N -1 3 334.427 3.528 20 0 EHADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc2ccccc21 ZINC000025689153 944605578 /nfs/dbraw/zinc/60/55/78/944605578.db2.gz AMFGLPDXURNMEN-CYBMUJFWSA-N -1 3 343.390 3.511 20 0 EHADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc2ccccc21 ZINC000025689153 944605582 /nfs/dbraw/zinc/60/55/82/944605582.db2.gz AMFGLPDXURNMEN-CYBMUJFWSA-N -1 3 343.390 3.511 20 0 EHADHM CC(=O)c1ccc(-c2nnn[n-]2)c(NCc2cccc3ccccc32)c1 ZINC000824014203 946546486 /nfs/dbraw/zinc/54/64/86/946546486.db2.gz DSWARBULOUKVOL-UHFFFAOYSA-N -1 3 343.390 3.835 20 0 EHADHM CC(=O)c1ccc(-c2nn[n-]n2)c(NCc2cccc3ccccc32)c1 ZINC000824014203 946546491 /nfs/dbraw/zinc/54/64/91/946546491.db2.gz DSWARBULOUKVOL-UHFFFAOYSA-N -1 3 343.390 3.835 20 0 EHADHM CC(=O)c1cc(Cl)ccc1OCc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001573553645 946889272 /nfs/dbraw/zinc/88/92/72/946889272.db2.gz HTQQFLMBDRRZTQ-UHFFFAOYSA-N -1 3 342.786 3.610 20 0 EHADHM CC(=O)c1cc(Cl)ccc1OCc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001573553645 946889283 /nfs/dbraw/zinc/88/92/83/946889283.db2.gz HTQQFLMBDRRZTQ-UHFFFAOYSA-N -1 3 342.786 3.610 20 0 EHADHM CCCCCCN[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000825271596 947140282 /nfs/dbraw/zinc/14/02/82/947140282.db2.gz LIBSVJWATIWUNS-CYBMUJFWSA-N -1 3 327.354 3.640 20 0 EHADHM CCCCCCN[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000825271596 947140284 /nfs/dbraw/zinc/14/02/84/947140284.db2.gz LIBSVJWATIWUNS-CYBMUJFWSA-N -1 3 327.354 3.640 20 0 EHADHM CC(C)c1ccc(NC(=O)CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000326987192 971353388 /nfs/dbraw/zinc/35/33/88/971353388.db2.gz SBZOXBNZOHBDCM-MRXNPFEDSA-N -1 3 346.471 3.571 20 0 EHADHM CCc1ccc([C@H](C)Nc2cc(C(C)=O)ccc2-c2nnn[n-]2)cc1 ZINC000825704166 947296136 /nfs/dbraw/zinc/29/61/36/947296136.db2.gz CSSPBDDGDXVSJP-LBPRGKRZSA-N -1 3 335.411 3.805 20 0 EHADHM CCc1ccc([C@H](C)Nc2cc(C(C)=O)ccc2-c2nn[n-]n2)cc1 ZINC000825704166 947296147 /nfs/dbraw/zinc/29/61/47/947296147.db2.gz CSSPBDDGDXVSJP-LBPRGKRZSA-N -1 3 335.411 3.805 20 0 EHADHM CCc1noc(C)c1CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000825772034 947327060 /nfs/dbraw/zinc/32/70/60/947327060.db2.gz XUFLWYAICWLHDJ-UHFFFAOYSA-N -1 3 335.820 3.671 20 0 EHADHM CCc1noc(C)c1CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000825772034 947327074 /nfs/dbraw/zinc/32/70/74/947327074.db2.gz XUFLWYAICWLHDJ-UHFFFAOYSA-N -1 3 335.820 3.671 20 0 EHADHM COc1ccccc1CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826220620 947654986 /nfs/dbraw/zinc/65/49/86/947654986.db2.gz UAFNJDIHKKGHMA-UHFFFAOYSA-N -1 3 332.816 3.821 20 0 EHADHM COc1ccccc1CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826220620 947654996 /nfs/dbraw/zinc/65/49/96/947654996.db2.gz UAFNJDIHKKGHMA-UHFFFAOYSA-N -1 3 332.816 3.821 20 0 EHADHM Cc1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c(Cl)c1C ZINC000826282632 947812425 /nfs/dbraw/zinc/81/24/25/947812425.db2.gz YIXMKQHUYRNMNZ-UHFFFAOYSA-N -1 3 345.765 3.528 20 0 EHADHM Cc1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c(Cl)c1C ZINC000826282632 947812431 /nfs/dbraw/zinc/81/24/31/947812431.db2.gz YIXMKQHUYRNMNZ-UHFFFAOYSA-N -1 3 345.765 3.528 20 0 EHADHM Cc1ccc([C@@H](C)Nc2ncc(Cl)c(C)c2-c2nnn[n-]2)s1 ZINC000826283827 947815378 /nfs/dbraw/zinc/81/53/78/947815378.db2.gz BTYBCKPKLRUAML-SECBINFHSA-N -1 3 334.836 3.767 20 0 EHADHM Cc1ccc([C@@H](C)Nc2ncc(Cl)c(C)c2-c2nn[n-]n2)s1 ZINC000826283827 947815383 /nfs/dbraw/zinc/81/53/83/947815383.db2.gz BTYBCKPKLRUAML-SECBINFHSA-N -1 3 334.836 3.767 20 0 EHADHM C[C@@H](CCc1ccc(F)cc1)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001574693314 949053576 /nfs/dbraw/zinc/05/35/76/949053576.db2.gz GBUNYXBAGBFMJF-NSHDSACASA-N -1 3 329.354 3.578 20 0 EHADHM C[C@@H](CCc1ccc(F)cc1)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001574693314 949053595 /nfs/dbraw/zinc/05/35/95/949053595.db2.gz GBUNYXBAGBFMJF-NSHDSACASA-N -1 3 329.354 3.578 20 0 EHADHM C[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)CC(C)(C)C ZINC001574520670 950742569 /nfs/dbraw/zinc/74/25/69/950742569.db2.gz WQNCXSCUYFYROH-JTQLQIEISA-N -1 3 335.839 3.921 20 0 EHADHM C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)CC(C)(C)C ZINC001574520670 950742581 /nfs/dbraw/zinc/74/25/81/950742581.db2.gz WQNCXSCUYFYROH-JTQLQIEISA-N -1 3 335.839 3.921 20 0 EHADHM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000422636188 953427757 /nfs/dbraw/zinc/42/77/57/953427757.db2.gz OSTANPFNKYAAOY-WFASDCNBSA-N -1 3 337.847 3.671 20 0 EHADHM CN(CCC1(C(=O)[O-])CCC1)[C@H](CO)c1cccc(Cl)c1Cl ZINC001593742069 954357832 /nfs/dbraw/zinc/35/78/32/954357832.db2.gz OXEDSPKYYSSQNI-CYBMUJFWSA-N -1 3 346.254 3.604 20 0 EHADHM CC(C)c1nn(Cc2ccccc2)c(Cl)c1CN[C@@H](C)CC(=O)[O-] ZINC000813356449 955357221 /nfs/dbraw/zinc/35/72/21/955357221.db2.gz JUWDQFOURJPHKO-ZDUSSCGKSA-N -1 3 349.862 3.661 20 0 EHADHM CN(Cc1ccc(Br)cc1)Cc1cccc(C(=O)[O-])c1 ZINC000048882207 957469354 /nfs/dbraw/zinc/46/93/54/957469354.db2.gz LXPHDMGIIDCOGW-UHFFFAOYSA-N -1 3 334.213 3.779 20 0 EHADHM CCN(Cc1ccc(C(=O)[O-])cc1Br)CC1CCC1 ZINC000230322592 960142534 /nfs/dbraw/zinc/14/25/34/960142534.db2.gz VHEYKRBZVHBIKZ-UHFFFAOYSA-N -1 3 326.234 3.769 20 0 EHADHM O=C([O-])c1ccc(CNC[C@H]2CCCCS2)c(Br)c1 ZINC000236470464 960650208 /nfs/dbraw/zinc/65/02/08/960650208.db2.gz PSDIYPUWGLHMRJ-GFCCVEGCSA-N -1 3 344.274 3.523 20 0 EHADHM O=C([O-])c1cnc(C2CCN([C@@H]3CCc4c3cccc4F)CC2)s1 ZINC001348434668 962438795 /nfs/dbraw/zinc/43/87/95/962438795.db2.gz ACIJHJJYIKSTBT-OAHLLOKOSA-N -1 3 346.427 3.847 20 0 EHADHM C[C@H](c1ncc(C(C)(C)C)o1)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001549037297 962935707 /nfs/dbraw/zinc/93/57/07/962935707.db2.gz PVZYJINOELYLII-VNQPRFMTSA-N -1 3 342.439 3.833 20 0 EHADHM CCCc1ncc(C(=O)[N-]c2nc(-c3cccs3)ns2)s1 ZINC000182158708 1032073196 /nfs/dbraw/zinc/07/31/96/1032073196.db2.gz GBOJJFNDHIVING-UHFFFAOYSA-N -1 3 336.467 3.928 20 0 EHADHM C[C@H](C1CC1)n1nccc1NCc1cccc([O-])c1Br ZINC000459412850 1032079331 /nfs/dbraw/zinc/07/93/31/1032079331.db2.gz VYZRUUWJRJKMGF-SNVBAGLBSA-N -1 3 336.233 3.934 20 0 EHADHM C[C@@H]1C[C@H](Nc2ncc(C(=O)[O-])cc2Cl)CN1Cc1ccccc1 ZINC000398024254 973054501 /nfs/dbraw/zinc/05/45/01/973054501.db2.gz JJGMSPQUYCSUBG-DOMZBBRYSA-N -1 3 345.830 3.508 20 0 EHADHM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1ccccc1Br ZINC000530180247 974364508 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CC[C@H](NCCOc1cccc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC001595294261 980407671 /nfs/dbraw/zinc/40/76/71/980407671.db2.gz POSDUVNBTKYZIV-KRWDZBQOSA-N -1 3 335.350 3.783 20 0 EHADHM O=C([O-])[C@H](CC1CC1)NCc1csc(-c2ccc(Cl)cc2)n1 ZINC000901718531 980463108 /nfs/dbraw/zinc/46/31/08/980463108.db2.gz USXZKSICNIKBAU-AWEZNQCLSA-N -1 3 336.844 3.806 20 0 EHADHM CC[C@@](NCc1ccnn1C(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000901872900 980586651 /nfs/dbraw/zinc/58/66/51/980586651.db2.gz NMJGJTCETSQNAY-KRWDZBQOSA-N -1 3 335.835 3.597 20 0 EHADHM CC[C@@](NCc1cncc(OC)c1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000901874163 980588659 /nfs/dbraw/zinc/58/86/59/980588659.db2.gz WISKEFJYORUUNR-SFHVURJKSA-N -1 3 348.830 3.532 20 0 EHADHM C[C@H](CCc1ccc(F)cc1F)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000901908077 980620621 /nfs/dbraw/zinc/62/06/21/980620621.db2.gz NRECJQKIEMBFQT-NXEZZACHSA-N -1 3 340.395 3.791 20 0 EHADHM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1Cc1scnc1C1CC1 ZINC000902045817 980712200 /nfs/dbraw/zinc/71/22/00/980712200.db2.gz 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O=C([N-][C@H]1C[C@@H]1c1c(F)cccc1Cl)C(F)(F)c1nccs1 ZINC000756714494 1042048732 /nfs/dbraw/zinc/04/87/32/1042048732.db2.gz GXBCAEIWJLMXLN-XVKPBYJWSA-N -1 3 346.761 3.700 20 0 EHADHM CCn1c2ccc(C(=O)[O-])cc2nc1CN1CCCC[C@H]1C1CCC1 ZINC000652415251 1042465215 /nfs/dbraw/zinc/46/52/15/1042465215.db2.gz BZVITMADQNGDKN-KRWDZBQOSA-N -1 3 341.455 3.909 20 0 EHADHM O=C([O-])CCN(Cc1ccc(Cl)cc1Br)CC1CC1 ZINC000652467824 1042491929 /nfs/dbraw/zinc/49/19/29/1042491929.db2.gz LPMDVQDNFVVTKM-UHFFFAOYSA-N -1 3 346.652 3.789 20 0 EHADHM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1cc2ccccc2o1 ZINC000008058454 1042620287 /nfs/dbraw/zinc/62/02/87/1042620287.db2.gz XRYOTTOCXOCBLC-JTQLQIEISA-N -1 3 337.347 3.751 20 0 EHADHM Cc1ccc(-c2c[nH]cc2C(=O)NCc2ccc([O-])c(F)c2)s1 ZINC000186893124 1042721777 /nfs/dbraw/zinc/72/17/77/1042721777.db2.gz DSKUZJHSDQVVTG-UHFFFAOYSA-N -1 3 330.384 3.826 20 0 EHADHM Cc1ccc(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)c([O-])c1 ZINC000187024658 1042745886 /nfs/dbraw/zinc/74/58/86/1042745886.db2.gz ANKKTCHMMYOAJY-FZKQIMNGSA-N -1 3 345.826 3.956 20 0 EHADHM CC(C)Oc1ccc(F)c(-c2ccc(-c3nnn[n-]3)c(F)c2)c1F ZINC001204669065 1043078889 /nfs/dbraw/zinc/07/88/89/1043078889.db2.gz BEEQSWPDXJSPJC-UHFFFAOYSA-N -1 3 334.301 3.738 20 0 EHADHM CC(C)Oc1ccc(F)c(-c2ccc(-c3nn[n-]n3)c(F)c2)c1F ZINC001204669065 1043078901 /nfs/dbraw/zinc/07/89/01/1043078901.db2.gz BEEQSWPDXJSPJC-UHFFFAOYSA-N -1 3 334.301 3.738 20 0 EHADHM Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1cc([O-])ccc1Cl ZINC000432409056 1043109906 /nfs/dbraw/zinc/10/99/06/1043109906.db2.gz WXDKQXZUSUMNDR-UHFFFAOYSA-N -1 3 346.814 3.745 20 0 EHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1cccc(Cl)c1Cl ZINC000117933359 1043313003 /nfs/dbraw/zinc/31/30/03/1043313003.db2.gz NNDFERIMPDWJEA-ZETCQYMHSA-N -1 3 349.239 3.638 20 0 EHADHM Cc1ccc(CCCCC(=O)N=c2cc(-c3ccncc3)[n-][nH]2)cc1 ZINC000512308232 1044571449 /nfs/dbraw/zinc/57/14/49/1044571449.db2.gz HQHFRNRLZOLNMV-UHFFFAOYSA-N -1 3 334.423 3.554 20 0 EHADHM Cc1c(C(=O)Nc2cc(Cl)ccc2[O-])cnn1-c1ccccc1 ZINC000112114525 1044580853 /nfs/dbraw/zinc/58/08/53/1044580853.db2.gz JAUOWWKDXBRILT-UHFFFAOYSA-N -1 3 327.771 3.792 20 0 EHADHM Cc1nc2ccccc2n1C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000279809706 1044691376 /nfs/dbraw/zinc/69/13/76/1044691376.db2.gz NWEBJZPEUZBFKU-UHFFFAOYSA-N -1 3 335.407 3.528 20 0 EHADHM O=C(c1ccc(O)cc1[O-])N1CCC(c2cccc(Cl)c2)CC1 ZINC000279884320 1044809266 /nfs/dbraw/zinc/80/92/66/1044809266.db2.gz DRMVTJMJBAEZJZ-UHFFFAOYSA-N -1 3 331.799 3.771 20 0 EHADHM Cc1ccc(-c2nc(NC(=O)c3ccc4nc(C)sc4c3)n[n-]2)o1 ZINC000432686661 1044852364 /nfs/dbraw/zinc/85/23/64/1044852364.db2.gz QRNQEKRIHNCQJD-UHFFFAOYSA-N -1 3 339.380 3.544 20 0 EHADHM Cc1cc(C(=O)Nc2ccc(Cl)cc2[O-])c2cnn(C(C)C)c2n1 ZINC000153683132 1125647854 /nfs/dbraw/zinc/64/78/54/1125647854.db2.gz XFYUCFWAQTVAEB-UHFFFAOYSA-N -1 3 344.802 3.932 20 0 EHADHM Cc1ccc(CN[C@H](Cc2cc3ccccc3o2)C(=O)[O-])c(Cl)n1 ZINC001600419886 1126219051 /nfs/dbraw/zinc/21/90/51/1126219051.db2.gz QYJDWGVJVZNKIC-OAHLLOKOSA-N -1 3 344.798 3.575 20 0 EHADHM CCc1cccc(C(=O)NC(C)(C)c2nc3ccccc3n2C)c1[O-] ZINC000622518724 1126714202 /nfs/dbraw/zinc/71/42/02/1126714202.db2.gz DXJXVFUHSRKIDK-UHFFFAOYSA-N -1 3 337.423 3.506 20 0 EHADHM CC1(C)C(c2cc(=NC(=O)c3cc([O-])ccc3Cl)[nH][nH]2)C1(C)C ZINC000622745063 1126761546 /nfs/dbraw/zinc/76/15/46/1126761546.db2.gz XMESZKKUMLOEIP-UHFFFAOYSA-N -1 3 333.819 3.593 20 0 EHADHM O=C(CCc1ccsc1)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000622892472 1126815072 /nfs/dbraw/zinc/81/50/72/1126815072.db2.gz RJOOZLDNBATUBY-UHFFFAOYSA-N -1 3 331.828 3.785 20 0 EHADHM O=C(Nc1cc(F)ccc1[O-])c1cc2c(cccc2OC(F)F)[nH]1 ZINC000174895034 1126862976 /nfs/dbraw/zinc/86/29/76/1126862976.db2.gz IBLICQUDZDMLGS-UHFFFAOYSA-N -1 3 336.269 3.866 20 0 EHADHM CC(C)[C@H]1c2ccccc2CCN1C(=O)c1nnc2ccccc2c1[O-] ZINC000763846283 1126884190 /nfs/dbraw/zinc/88/41/90/1126884190.db2.gz GZMORAHNHUKVTN-IBGZPJMESA-N -1 3 347.418 3.731 20 0 EHADHM Cc1ccc([O-])c(C(=O)Nc2cc3c(cc2Cl)OCCCO3)c1 ZINC000192768351 1126936178 /nfs/dbraw/zinc/93/61/78/1126936178.db2.gz FSSORSNDZSLBGD-UHFFFAOYSA-N -1 3 333.771 3.768 20 0 EHADHM COc1ccc([O-])c(C(=O)Nc2ccccc2OCC(F)(F)F)c1 ZINC000192780672 1126937229 /nfs/dbraw/zinc/93/72/29/1126937229.db2.gz SQHKLXJVXKRAND-UHFFFAOYSA-N -1 3 341.285 3.594 20 0 EHADHM Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1cc([O-])cc(F)c1 ZINC000349046473 1127025254 /nfs/dbraw/zinc/02/52/54/1127025254.db2.gz KQTXXPDRURQZCU-XGICHPGQSA-N -1 3 342.395 3.864 20 0 EHADHM O=C(CCc1nnc(-c2ccccc2)o1)Nc1ccc(Cl)cc1[O-] ZINC000179195658 1127050378 /nfs/dbraw/zinc/05/03/78/1127050378.db2.gz NKGHZEZUBZKCQE-UHFFFAOYSA-N -1 3 343.770 3.667 20 0 EHADHM O=C(Nc1cc(Br)ccc1[O-])c1cc(F)c(F)c(F)c1 ZINC000179654315 1127078287 /nfs/dbraw/zinc/07/82/87/1127078287.db2.gz GILXWHNDBVCYJJ-UHFFFAOYSA-N -1 3 346.102 3.824 20 0 EHADHM CCOc1cccc2cc([C@@H](C)NCc3nc(CC)cc(=O)[n-]3)oc21 ZINC000182652387 1127341473 /nfs/dbraw/zinc/34/14/73/1127341473.db2.gz UUZLANDGIAKZEG-GFCCVEGCSA-N -1 3 341.411 3.740 20 0 EHADHM C[C@@H](NC(=O)c1cccc2n[n-]nc21)c1nc(-c2ccccc2)cs1 ZINC000183585190 1127381529 /nfs/dbraw/zinc/38/15/29/1127381529.db2.gz ICEUVHSZKIENIC-LLVKDONJSA-N -1 3 349.419 3.572 20 0 EHADHM C[C@H](NC(=O)c1cccc2n[n-]nc21)c1nc(-c2ccccc2)cs1 ZINC000183585172 1127381569 /nfs/dbraw/zinc/38/15/69/1127381569.db2.gz ICEUVHSZKIENIC-NSHDSACASA-N -1 3 349.419 3.572 20 0 EHADHM [O-]c1ccc(CNC(=S)Nc2ccccc2)cc1Br ZINC000764526527 1127503457 /nfs/dbraw/zinc/50/34/57/1127503457.db2.gz UHIPQVKWWGYXTP-UHFFFAOYSA-N -1 3 337.242 3.641 20 0 EHADHM CN1CCN(C(=O)c2cc([O-])c3ccccc3c2)[C@H](c2ccccc2)C1 ZINC000471634758 1127659191 /nfs/dbraw/zinc/65/91/91/1127659191.db2.gz LSTSJMIQLNHERV-FQEVSTJZSA-N -1 3 346.430 3.674 20 0 EHADHM CCCCC[C@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)C(C)(C)C ZINC000734499512 1131241351 /nfs/dbraw/zinc/24/13/51/1131241351.db2.gz PBWZBSGMDBIQIX-LBPRGKRZSA-N -1 3 349.928 3.655 20 0 EHADHM Cc1cccc([O-])c1C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000624302867 1127854375 /nfs/dbraw/zinc/85/43/75/1127854375.db2.gz MJJTYEUZXNXUBX-MRXNPFEDSA-N -1 3 327.380 3.511 20 0 EHADHM Cc1cccc2nc(CNC(=O)c3cc([O-])c4ccccc4c3)n(C)c21 ZINC000472338523 1127934131 /nfs/dbraw/zinc/93/41/31/1127934131.db2.gz RRBJDKATRBQSCG-UHFFFAOYSA-N -1 3 345.402 3.671 20 0 EHADHM C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)[C@H]1COc2ccccc21 ZINC000472438394 1127949534 /nfs/dbraw/zinc/94/95/34/1127949534.db2.gz HBDUGNMHBPTUDL-SCLBCKFNSA-N -1 3 333.387 3.840 20 0 EHADHM COc1ccc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)c([O-])c1 ZINC000067179610 1128235821 /nfs/dbraw/zinc/23/58/21/1128235821.db2.gz MEWWTINECPJTLI-MRXNPFEDSA-N -1 3 325.408 3.811 20 0 EHADHM Cc1nnc([N-]C(=O)c2occc2CSc2ccccc2)s1 ZINC000073077178 1128316089 /nfs/dbraw/zinc/31/60/89/1128316089.db2.gz SYXBIKAUSVYASB-UHFFFAOYSA-N -1 3 331.422 3.984 20 0 EHADHM Cc1cccc([O-])c1C(=O)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000624531367 1128387587 /nfs/dbraw/zinc/38/75/87/1128387587.db2.gz PQBOVSWXSKHMPU-UHFFFAOYSA-N -1 3 335.407 3.597 20 0 EHADHM O=C([N-][C@H]1C[C@H]1c1c(F)cccc1F)C(F)(F)c1ccccc1F ZINC000765818418 1128454235 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CN(C(=O)c1cc([O-])c2ccccc2c1)[C@H](CCO)c1ccccc1 ZINC000355508248 1128922035 /nfs/dbraw/zinc/92/20/35/1128922035.db2.gz KLACIPAJAIMGHW-LJQANCHMSA-N -1 3 335.403 3.741 20 0 EHADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)CCCC(F)(F)F)cc1F ZINC000494362932 1120539135 /nfs/dbraw/zinc/53/91/35/1120539135.db2.gz DUCQNRJKAUKKOA-VIFPVBQESA-N -1 3 345.333 3.673 20 0 EHADHM O=C(Nc1csc(-c2ccccc2)n1)c1c[n-]c2ccccc2c1=O ZINC000672332730 1128934409 /nfs/dbraw/zinc/93/44/09/1128934409.db2.gz HQUPKNLUTWUXTP-UHFFFAOYSA-N -1 3 347.399 3.904 20 0 EHADHM CCCC(C)(C)CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000495101396 1120950603 /nfs/dbraw/zinc/95/06/03/1120950603.db2.gz YREBXRRFHCRROZ-UHFFFAOYSA-N -1 3 327.428 3.900 20 0 EHADHM CC(C)[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)N1CCC[C@@H](C)C1 ZINC000914890968 1121039707 /nfs/dbraw/zinc/03/97/07/1121039707.db2.gz FWRLEGFNYLTHBZ-IUODEOHRSA-N -1 3 348.468 3.669 20 0 EHADHM Cc1cc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c(C)[nH]1 ZINC000914967875 1121075259 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C[C@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)Cc2ccccc21 ZINC000786697685 1133887843 /nfs/dbraw/zinc/88/78/43/1133887843.db2.gz XFCLHLRYQPOKIO-AWEZNQCLSA-N -1 3 327.399 4.000 20 0 EHADHM CCc1ccc(S(=O)(=O)[N-]c2cc(C)cnc2Cl)cc1CC ZINC000786888246 1133924887 /nfs/dbraw/zinc/92/48/87/1133924887.db2.gz VIGRFALBXSKRTL-UHFFFAOYSA-N -1 3 338.860 3.969 20 0 EHADHM Cc1c(C)c(C)c(CC(=O)Nc2ccccc2-c2nnn[n-]2)c(C)c1C ZINC001184424471 1133939476 /nfs/dbraw/zinc/93/94/76/1133939476.db2.gz TXPODWPQYNHFFI-UHFFFAOYSA-N -1 3 349.438 3.590 20 0 EHADHM Cc1c(C)c(C)c(CC(=O)Nc2ccccc2-c2nn[n-]n2)c(C)c1C ZINC001184424471 1133939481 /nfs/dbraw/zinc/93/94/81/1133939481.db2.gz TXPODWPQYNHFFI-UHFFFAOYSA-N -1 3 349.438 3.590 20 0 EHADHM CCOC(=O)c1[n-]cnc1NC(=O)[C@@]12C[C@H]3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC001184494889 1133941657 /nfs/dbraw/zinc/94/16/57/1133941657.db2.gz JWSWQVKFLPIXSX-BWEKPBJLSA-N -1 3 345.443 3.522 20 0 EHADHM CCOC(=O)c1nc[n-]c1NC(=O)[C@@]12C[C@H]3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC001184494889 1133941661 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Cc1ccc(-c2nnc([N-]C(=O)c3cnc(Cl)cn3)s2)c(C)c1 ZINC000787871951 1134048767 /nfs/dbraw/zinc/04/87/67/1134048767.db2.gz BEHHJCAHWWWGPH-UHFFFAOYSA-N -1 3 345.815 3.518 20 0 EHADHM Cc1ccc(CNC(=O)Nc2ccc([O-])c(Br)c2)cc1 ZINC001185401743 1134078961 /nfs/dbraw/zinc/07/89/61/1134078961.db2.gz XNPBIUMECWQDLC-UHFFFAOYSA-N -1 3 335.201 3.785 20 0 EHADHM Cc1cc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)cc1O ZINC001185529695 1134104109 /nfs/dbraw/zinc/10/41/09/1134104109.db2.gz KVNAYJVSZYXDTB-UHFFFAOYSA-N -1 3 329.780 3.602 20 0 EHADHM O=C(c1cc2sccc2c([O-])c1)N1CCO[C@H](c2ccccc2)C1 ZINC000788306045 1134106026 /nfs/dbraw/zinc/10/60/26/1134106026.db2.gz HCZFPCHEWAKKDV-KRWDZBQOSA-N -1 3 339.416 3.821 20 0 EHADHM COc1ccc(CNC(=O)c2cc3sccc3c([O-])c2)c(OC)c1 ZINC000788276576 1134106934 /nfs/dbraw/zinc/10/69/34/1134106934.db2.gz OZNNDZZTMNAWPM-UHFFFAOYSA-N -1 3 343.404 3.554 20 0 EHADHM CSc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)c(F)c1 ZINC001185836089 1134139422 /nfs/dbraw/zinc/13/94/22/1134139422.db2.gz 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EHADHM O=C(NCCOc1ccc(F)c(F)c1)c1cc2sccc2c([O-])c1 ZINC000791356493 1134539255 /nfs/dbraw/zinc/53/92/55/1134539255.db2.gz IWJOPVXOCSFKTQ-UHFFFAOYSA-N -1 3 349.358 3.694 20 0 EHADHM C[S@](=O)Cc1ccccc1NC(=O)c1cc2sccc2c([O-])c1 ZINC000791396077 1134543844 /nfs/dbraw/zinc/54/38/44/1134543844.db2.gz ZGBSLCPMSNFYDY-QHCPKHFHSA-N -1 3 345.445 3.738 20 0 EHADHM Cc1cnc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)c(C)c1 ZINC001189501631 1134592164 /nfs/dbraw/zinc/59/21/64/1134592164.db2.gz VSMLMXDAGRNZSX-UHFFFAOYSA-N -1 3 344.358 3.659 20 0 EHADHM O=C(Nc1ccc(C(F)F)nc1)c1cccc(OC(F)(F)F)c1[O-] ZINC001189748484 1134620650 /nfs/dbraw/zinc/62/06/50/1134620650.db2.gz KGKFJMYNRSVLJA-UHFFFAOYSA-N -1 3 348.227 3.876 20 0 EHADHM CN(CCc1cccs1)C(=O)c1cccc(OC(F)(F)F)c1[O-] ZINC001189763311 1134623683 /nfs/dbraw/zinc/62/36/83/1134623683.db2.gz SSCNWJPEZYVAMA-UHFFFAOYSA-N -1 3 345.342 3.667 20 0 EHADHM O=C(Nc1cc(O)cc(Cl)c1)c1cccc(OC(F)(F)F)c1[O-] ZINC001189765488 1134624062 /nfs/dbraw/zinc/62/40/62/1134624062.db2.gz 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O=C(NCc1cccnc1F)c1cc(Oc2ccccc2)ccc1[O-] ZINC000794007721 1135013802 /nfs/dbraw/zinc/01/38/02/1135013802.db2.gz TXGZTNUASSDYHJ-UHFFFAOYSA-N -1 3 338.338 3.649 20 0 EHADHM O=C(c1cc2sccc2c([O-])c1)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000794084057 1135022928 /nfs/dbraw/zinc/02/29/28/1135022928.db2.gz FFQMDMMYYSFJJW-DOTOQJQBSA-N -1 3 343.448 3.781 20 0 EHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C)c2Cl)cnc1Cl ZINC001192572436 1135038531 /nfs/dbraw/zinc/03/85/31/1135038531.db2.gz WNBOUMLZKQYNLV-UHFFFAOYSA-N -1 3 349.214 3.945 20 0 EHADHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1Cl)c1ccc(Cl)s1 ZINC001192624893 1135041871 /nfs/dbraw/zinc/04/18/71/1135041871.db2.gz GKIXQWVVYQMGNV-GXSJLCMTSA-N -1 3 348.276 3.889 20 0 EHADHM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC001192756183 1135055455 /nfs/dbraw/zinc/05/54/55/1135055455.db2.gz LBTFZWHVFQOEJT-UHFFFAOYSA-N -1 3 325.817 3.712 20 0 EHADHM Cc1cccc([C@@H](C)NC(=O)c2ccc(Br)c(=O)[n-]2)c1C ZINC001193160962 1135111240 /nfs/dbraw/zinc/11/12/40/1135111240.db2.gz 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1135240629 /nfs/dbraw/zinc/24/06/29/1135240629.db2.gz OYVHDIARXTZDNF-LLVKDONJSA-N -1 3 327.421 3.985 20 0 EHADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1c(F)cccc1N1CCCC1 ZINC001194641833 1135295223 /nfs/dbraw/zinc/29/52/23/1135295223.db2.gz AQMVDUXPWSVPME-UHFFFAOYSA-N -1 3 348.443 3.844 20 0 EHADHM Cc1nocc1[N-]C(=O)c1cc(Cl)c(Br)cc1F ZINC001130357030 1135324228 /nfs/dbraw/zinc/32/42/28/1135324228.db2.gz NZJONKKDYONHHL-UHFFFAOYSA-N -1 3 333.544 3.790 20 0 EHADHM COc1ccc([N-]S(=O)(=O)c2c(C)cccc2Cl)c(F)c1 ZINC001195268108 1135402791 /nfs/dbraw/zinc/40/27/91/1135402791.db2.gz PADULXMOIBYHDF-UHFFFAOYSA-N -1 3 329.780 3.597 20 0 EHADHM Cc1cccc(Cl)c1S(=O)(=O)Nc1cccc([O-])c1Cl ZINC001195310287 1135411830 /nfs/dbraw/zinc/41/18/30/1135411830.db2.gz WZEPGZNPLDDIQE-UHFFFAOYSA-N -1 3 332.208 3.808 20 0 EHADHM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(CO)cc1Cl ZINC001195317021 1135413588 /nfs/dbraw/zinc/41/35/88/1135413588.db2.gz ZEBDPHKBWXOGLX-UHFFFAOYSA-N -1 3 346.235 3.595 20 0 EHADHM CCOC([O-])=NC(=S)Nc1cc(-c2ccccc2)nn1C1CCC1 ZINC001195458079 1135426679 /nfs/dbraw/zinc/42/66/79/1135426679.db2.gz LJDKLRSGDADXCB-UHFFFAOYSA-N -1 3 344.440 3.718 20 0 EHADHM CCOC(=O)[N-]C(=S)Nc1cc(-c2ccccc2)nn1C1CCC1 ZINC001195458079 1135426684 /nfs/dbraw/zinc/42/66/84/1135426684.db2.gz LJDKLRSGDADXCB-UHFFFAOYSA-N -1 3 344.440 3.718 20 0 EHADHM O=S(=O)([N-]c1ccc(-c2ccc(O)cc2)cc1)c1ccc(O)cc1 ZINC001195795456 1135470622 /nfs/dbraw/zinc/47/06/22/1135470622.db2.gz AJRDGBGUWJYYKS-UHFFFAOYSA-N -1 3 341.388 3.566 20 0 EHADHM COc1cc(NS(=O)(=O)c2ccc([O-])cc2)c(Cl)cc1Cl ZINC001195794689 1135470916 /nfs/dbraw/zinc/47/09/16/1135470916.db2.gz GROLHSAFRVLUDT-UHFFFAOYSA-N -1 3 348.207 3.508 20 0 EHADHM CC(C)C[C@H](NS(=O)(=O)c1ccc([O-])cc1)c1cccc(F)c1 ZINC001195825636 1135477699 /nfs/dbraw/zinc/47/76/99/1135477699.db2.gz VTTYENFNRPFCTA-KRWDZBQOSA-N -1 3 337.416 3.597 20 0 EHADHM CCc1c([N-]C(=O)c2nc(Cl)ccc2F)onc1C(F)(F)F ZINC000807271337 1135532123 /nfs/dbraw/zinc/53/21/23/1135532123.db2.gz 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ZINC001198154900 1135780080 /nfs/dbraw/zinc/78/00/80/1135780080.db2.gz CTLCRRIWUPFKRX-UHFFFAOYSA-N -1 3 345.399 3.693 20 0 EHADHM O=S(=O)([N-]c1cc(Cl)cnc1Cl)c1ccc2occc2c1 ZINC001198817985 1135859328 /nfs/dbraw/zinc/85/93/28/1135859328.db2.gz KLJNNVCDWXLOMG-UHFFFAOYSA-N -1 3 343.191 3.935 20 0 EHADHM CC(C)(C)C1CCC(=CC(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1 ZINC000775906392 1135862211 /nfs/dbraw/zinc/86/22/11/1135862211.db2.gz DKAMEIYBCLKQRZ-UHFFFAOYSA-N -1 3 344.381 3.602 20 0 EHADHM CCc1cc2c(CN3CCC(F)(F)[C@@H](C)C3)cc(=O)oc2cc1[O-] ZINC000810044702 1135915553 /nfs/dbraw/zinc/91/55/53/1135915553.db2.gz LQLBEFXNDFWOFC-NSHDSACASA-N -1 3 337.366 3.538 20 0 EHADHM Cc1ccc(N2CCC[C@H](NC(=O)c3cc([O-])ccc3Cl)C2)cc1 ZINC000810446052 1135965296 /nfs/dbraw/zinc/96/52/96/1135965296.db2.gz NKPZIWCJZJGSLT-AWEZNQCLSA-N -1 3 344.842 3.753 20 0 EHADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cc(F)ncc2F)c(C)c1C ZINC001201795606 1136063417 /nfs/dbraw/zinc/06/34/17/1136063417.db2.gz RVSGUWWZPZRPEY-UHFFFAOYSA-N -1 3 340.395 3.703 20 0 EHADHM COc1ccc(Cl)cc1[C@@H](O)CNCc1cccc([O-])c1Cl ZINC001202399263 1136142365 /nfs/dbraw/zinc/14/23/65/1136142365.db2.gz XEEFIVBEMSBUOI-AWEZNQCLSA-N -1 3 342.222 3.531 20 0 EHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)[C@H]3C[C@H]4C[C@H]4C3)nc(=O)c2c1C ZINC000850262644 1136228007 /nfs/dbraw/zinc/22/80/07/1136228007.db2.gz HXWHCKCVPKKIFN-YJQGPUDQSA-N -1 3 332.425 3.664 20 0 EHADHM C[C@@H](CC(=O)[O-])NCc1sc(Sc2ccccc2)nc1Cl ZINC000813354760 1136322056 /nfs/dbraw/zinc/32/20/56/1136322056.db2.gz CJIVDVQQNXCGPZ-VIFPVBQESA-N -1 3 342.873 3.901 20 0 EHADHM O=C(NC[C@@H]1COc2ccccc21)c1cc2sccc2c([O-])c1 ZINC000813892891 1136373701 /nfs/dbraw/zinc/37/37/01/1136373701.db2.gz ZGHCWYALBUHXSC-GFCCVEGCSA-N -1 3 325.389 3.513 20 0 EHADHM CCOC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)C(CC)CC)nc21 ZINC001134941078 1136575029 /nfs/dbraw/zinc/57/50/29/1136575029.db2.gz UAHCVXSQDWOGGC-NSHDSACASA-N -1 3 331.416 3.750 20 0 EHADHM COC(=O)c1cc(C(=O)OCC[C@H](C)c2c[nH]c3ccccc32)c[n-]1 ZINC000816052743 1136667556 /nfs/dbraw/zinc/66/75/56/1136667556.db2.gz HUZMCXRYNPGTSE-LBPRGKRZSA-N -1 3 340.379 3.633 20 0 EHADHM COCCOc1ccc(NCc2c(F)ccc([O-])c2F)cc1Cl ZINC000816523147 1136733572 /nfs/dbraw/zinc/73/35/72/1136733572.db2.gz FAKKOTQFQGKPKB-UHFFFAOYSA-N -1 3 343.757 3.961 20 0 EHADHM C[C@@H]1N(C(=O)c2nnc3ccccc3c2[O-])c2ccccc2C1(C)C ZINC000855908126 1136740452 /nfs/dbraw/zinc/74/04/52/1136740452.db2.gz JDGWHLASTPWDBA-LBPRGKRZSA-N -1 3 333.391 3.662 20 0 EHADHM CC(=O)c1cccc(NC(=O)c2cc(Cl)c(N)c(Cl)c2)c1[O-] ZINC000816620936 1136742255 /nfs/dbraw/zinc/74/22/55/1136742255.db2.gz RMOSOUPLVMSYIM-UHFFFAOYSA-N -1 3 339.178 3.736 20 0 EHADHM CC[C@H](C)CONC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000816979284 1136769523 /nfs/dbraw/zinc/76/95/23/1136769523.db2.gz LNIVKJBAAVTIBO-AWEZNQCLSA-N -1 3 329.396 3.679 20 0 EHADHM C/C=C/C[C@H](CO)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817591980 1136827213 /nfs/dbraw/zinc/82/72/13/1136827213.db2.gz NZOHLXKVDLZHHD-VMZHVLLKSA-N -1 3 338.181 3.529 20 0 EHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC001136020226 1136838758 /nfs/dbraw/zinc/83/87/58/1136838758.db2.gz VIUVDEVDIIGUDH-RBSFLKMASA-N -1 3 342.439 3.605 20 0 EHADHM CC[C@@H](COC)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000857453556 1136872955 /nfs/dbraw/zinc/87/29/55/1136872955.db2.gz KZVQEOXQSZRENV-QMMMGPOBSA-N -1 3 326.170 3.626 20 0 EHADHM CN(OCc1ccccc1)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857475542 1136875179 /nfs/dbraw/zinc/87/51/79/1136875179.db2.gz LOXZLXBSXNQZHH-UHFFFAOYSA-N -1 3 325.286 3.615 20 0 EHADHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)NCC1CCCCC1 ZINC000011809715 1136888403 /nfs/dbraw/zinc/88/84/03/1136888403.db2.gz BUJLVIQNYHPYLC-SECBINFHSA-N -1 3 347.242 3.563 20 0 EHADHM Cc1cccc(C)c1NC(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000011808766 1136888435 /nfs/dbraw/zinc/88/84/35/1136888435.db2.gz KZTHEVHSTBOVLH-UHFFFAOYSA-N -1 3 341.194 3.734 20 0 EHADHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)c1c[nH]c2ccccc12 ZINC000011809243 1136888611 /nfs/dbraw/zinc/88/86/11/1136888611.db2.gz LWUVOFRUYWYFFG-UHFFFAOYSA-N -1 3 337.162 3.843 20 0 EHADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(OCC(F)(F)F)nc1 ZINC000339006887 1136908218 /nfs/dbraw/zinc/90/82/18/1136908218.db2.gz GGJHDDMMMCFPLN-UHFFFAOYSA-N -1 3 346.692 3.634 20 0 EHADHM O=C(c1cc([O-])cc(Br)c1)N1CC[C@H]1c1ccccc1 ZINC001136234148 1136948862 /nfs/dbraw/zinc/94/88/62/1136948862.db2.gz VNSKWUDMMXVCMQ-HNNXBMFYSA-N -1 3 332.197 3.742 20 0 EHADHM CC1(C)C[C@H](c2ccccc2)N(C(=O)c2nnc3ccccc3c2[O-])C1 ZINC000819749215 1136960537 /nfs/dbraw/zinc/96/05/37/1136960537.db2.gz LXEDQJCQIIVCMX-QGZVFWFLSA-N -1 3 347.418 3.949 20 0 EHADHM COc1cccc(S([O-])=CC(=O)Oc2cc(C)ccc2C(C)C)c1 ZINC000819941180 1136968480 /nfs/dbraw/zinc/96/84/80/1136968480.db2.gz INAXVYSOVQZKBF-XMMPIXPASA-N -1 3 346.448 3.840 20 0 EHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCC2CCCCCCC2)c1 ZINC001136331126 1136988747 /nfs/dbraw/zinc/98/87/47/1136988747.db2.gz JZXCCMLJHFDDKP-UHFFFAOYSA-N -1 3 330.428 3.607 20 0 EHADHM CC(C)(C)C(C)(C)CNC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000820421692 1136993332 /nfs/dbraw/zinc/99/33/32/1136993332.db2.gz WQTFIQYMFONTFH-UHFFFAOYSA-N -1 3 336.382 3.608 20 0 EHADHM O=C(Nc1ccc(Oc2ccncc2)cc1)c1[n-]cnc1C(F)(F)F ZINC001136459241 1137030968 /nfs/dbraw/zinc/03/09/68/1137030968.db2.gz MNCJIFGPBIOBGF-UHFFFAOYSA-N -1 3 348.284 3.868 20 0 EHADHM O=C(Nc1ccc(Oc2ccncc2)cc1)c1nc[n-]c1C(F)(F)F ZINC001136459241 1137030970 /nfs/dbraw/zinc/03/09/70/1137030970.db2.gz MNCJIFGPBIOBGF-UHFFFAOYSA-N -1 3 348.284 3.868 20 0 EHADHM Cc1cc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)ccc1F ZINC001136609261 1137067959 /nfs/dbraw/zinc/06/79/59/1137067959.db2.gz CVYVWIJYFCAEDI-UHFFFAOYSA-N -1 3 330.746 3.881 20 0 EHADHM O=c1[n-]c(N[C@H]2CCc3ccc(O)cc3C2)c(Cl)cc1Cl ZINC001171031400 1137113610 /nfs/dbraw/zinc/11/36/10/1137113610.db2.gz PYXPCFVQEIFNTR-JTQLQIEISA-N -1 3 325.195 3.769 20 0 EHADHM FC(F)(F)c1ccccc1CCNc1ccccc1-c1nnn[n-]1 ZINC001171040215 1137121243 /nfs/dbraw/zinc/12/12/43/1137121243.db2.gz 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ZINC001144633271 1137321088 /nfs/dbraw/zinc/32/10/88/1137321088.db2.gz OAKOMWXDLXVSTL-GQSCTRQFSA-N -1 3 339.410 3.772 20 0 EHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCCC[C@@H]3F)cc2)cc(=O)[n-]1 ZINC000866074447 1137328015 /nfs/dbraw/zinc/32/80/15/1137328015.db2.gz XHOVSCYCGLHQAH-LSDHHAIUSA-N -1 3 344.390 3.560 20 0 EHADHM CC[C@H]1CN(Cc2ccccc2)CCN1Cc1sccc1C(=O)[O-] ZINC001144680961 1137328682 /nfs/dbraw/zinc/32/86/82/1137328682.db2.gz YDZURMCJGDIMFX-INIZCTEOSA-N -1 3 344.480 3.543 20 0 EHADHM O=C([O-])c1ccsc1CN1CCC2(CC(=O)c3ccccc32)CC1 ZINC001144685151 1137329729 /nfs/dbraw/zinc/32/97/29/1137329729.db2.gz XYKAEZRQVGZRQJ-UHFFFAOYSA-N -1 3 341.432 3.567 20 0 EHADHM Cc1ccc(CC(=O)[N-]OCc2ccc(Br)cc2)cc1 ZINC000749394402 1137331526 /nfs/dbraw/zinc/33/15/26/1137331526.db2.gz RTZHRDJAXMIUCX-UHFFFAOYSA-N -1 3 334.213 3.548 20 0 EHADHM CCc1cc(=O)[n-]c(-c2ccc(NCC(C)(C)C(C)(F)F)nc2)n1 ZINC000866186835 1137334091 /nfs/dbraw/zinc/33/40/91/1137334091.db2.gz UPZLMMILYMKQEW-UHFFFAOYSA-N -1 3 336.386 3.900 20 0 EHADHM CC[C@@H](C)[C@](C)(O)CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001146508290 1137390904 /nfs/dbraw/zinc/39/09/04/1137390904.db2.gz XRJHHEXCVVMJTL-JLTOFOAXSA-N -1 3 343.423 3.711 20 0 EHADHM CC[C@H](C)[C@](C)(O)CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001146507169 1137390980 /nfs/dbraw/zinc/39/09/80/1137390980.db2.gz COAILZWZWKZNTH-YCRPNKLZSA-N -1 3 341.451 3.510 20 0 EHADHM CC[C@]1(Cc2ccccc2)CCCN1C(=O)c1ccc(O)cc1[O-] ZINC001146710895 1137393535 /nfs/dbraw/zinc/39/35/35/1137393535.db2.gz SASHANKKCJNWOU-HXUWFJFHSA-N -1 3 325.408 3.725 20 0 EHADHM COc1cccc(C(=O)Nc2cc(-c3cccc(F)c3)ccn2)c1[O-] ZINC001148195908 1137418771 /nfs/dbraw/zinc/41/87/71/1137418771.db2.gz JNECENNIBQZCCT-UHFFFAOYSA-N -1 3 338.338 3.854 20 0 EHADHM CSC(C)(C)CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001148199765 1137418819 /nfs/dbraw/zinc/41/88/19/1137418819.db2.gz USPNLVHHZCMIEU-UHFFFAOYSA-N -1 3 329.465 3.854 20 0 EHADHM CC(=O)c1ccc(C(=O)Nc2ccc([O-])cc2Br)cc1 ZINC001148306889 1137421706 /nfs/dbraw/zinc/42/17/06/1137421706.db2.gz 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332.248 3.567 20 0 EHADHM Cc1ccc2oc(SCc3ccc(-c4nnn[n-]4)cc3F)nc2c1 ZINC000737379230 598861668 /nfs/dbraw/zinc/86/16/68/598861668.db2.gz GGMDIBBICPLEFJ-UHFFFAOYSA-N -1 3 341.371 3.748 20 0 EHADHM Cc1ccc2oc(SCc3ccc(-c4nn[n-]n4)cc3F)nc2c1 ZINC000737379230 598861670 /nfs/dbraw/zinc/86/16/70/598861670.db2.gz GGMDIBBICPLEFJ-UHFFFAOYSA-N -1 3 341.371 3.748 20 0 EHADHM Cc1ccc2oc(SCc3cc(-c4nnn[n-]4)ccc3F)nc2c1 ZINC000737379309 598861759 /nfs/dbraw/zinc/86/17/59/598861759.db2.gz HJBONIHIHBGSKH-UHFFFAOYSA-N -1 3 341.371 3.748 20 0 EHADHM Cc1ccc2oc(SCc3cc(-c4nn[n-]n4)ccc3F)nc2c1 ZINC000737379309 598861761 /nfs/dbraw/zinc/86/17/61/598861761.db2.gz HJBONIHIHBGSKH-UHFFFAOYSA-N -1 3 341.371 3.748 20 0 EHADHM CCO[C@H](C)c1nc(CSc2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000736616348 598912875 /nfs/dbraw/zinc/91/28/75/598912875.db2.gz NQWMJILNIOUVKS-SNVBAGLBSA-N -1 3 347.469 3.713 20 0 EHADHM CCO[C@H](C)c1nc(CSc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000736616348 598912876 /nfs/dbraw/zinc/91/28/76/598912876.db2.gz 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FMLLGEXTOKVYHD-NSHDSACASA-N -1 3 342.834 3.695 20 0 EHADHM CC[C@@H](NC1CCC(C(=O)[O-])CC1)c1nc(C(F)(F)F)cs1 ZINC000820284798 598115436 /nfs/dbraw/zinc/11/54/36/598115436.db2.gz CEFZIWOKGMWGHL-UDNWOFFPSA-N -1 3 336.379 3.846 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1NCc1ccc(Cl)cc1Cl ZINC000737645098 598235345 /nfs/dbraw/zinc/23/53/45/598235345.db2.gz RFNXYVGYYKVJBU-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM CCOc1ccccc1[C@H](CC)Nc1cccc(F)c1-c1nnn[n-]1 ZINC000736653769 598246272 /nfs/dbraw/zinc/24/62/72/598246272.db2.gz NHVYOZIXYLIXQX-AWEZNQCLSA-N -1 3 341.390 3.968 20 0 EHADHM CCOc1ccccc1[C@H](CC)Nc1cccc(F)c1-c1nn[n-]n1 ZINC000736653769 598246273 /nfs/dbraw/zinc/24/62/73/598246273.db2.gz NHVYOZIXYLIXQX-AWEZNQCLSA-N -1 3 341.390 3.968 20 0 EHADHM FC(F)Oc1cccc(CSCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737639740 598313918 /nfs/dbraw/zinc/31/39/18/598313918.db2.gz WGQMBFPMLVAKQP-UHFFFAOYSA-N -1 3 348.378 3.902 20 0 EHADHM FC(F)Oc1cccc(CSCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737639740 598313920 /nfs/dbraw/zinc/31/39/20/598313920.db2.gz WGQMBFPMLVAKQP-UHFFFAOYSA-N -1 3 348.378 3.902 20 0 EHADHM Cc1c(NC(=O)c2ccccc2C(C)(C)C)cccc1-c1nnn[n-]1 ZINC000822116601 607354114 /nfs/dbraw/zinc/35/41/14/607354114.db2.gz USOVDNCXQTVGFE-UHFFFAOYSA-N -1 3 335.411 3.725 20 0 EHADHM Cc1c(NC(=O)c2ccccc2C(C)(C)C)cccc1-c1nn[n-]n1 ZINC000822116601 607354115 /nfs/dbraw/zinc/35/41/15/607354115.db2.gz USOVDNCXQTVGFE-UHFFFAOYSA-N -1 3 335.411 3.725 20 0 EHADHM Clc1cc2nc(-c3ccc(-c4nnn[n-]4)cc3)[nH]c2cc1Cl ZINC000737563066 598362545 /nfs/dbraw/zinc/36/25/45/598362545.db2.gz FGRYMEUJMCMYBB-UHFFFAOYSA-N -1 3 331.166 3.717 20 0 EHADHM Clc1cc2nc(-c3ccc(-c4nn[n-]n4)cc3)[nH]c2cc1Cl ZINC000737563066 598362547 /nfs/dbraw/zinc/36/25/47/598362547.db2.gz FGRYMEUJMCMYBB-UHFFFAOYSA-N -1 3 331.166 3.717 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000737220626 598395722 /nfs/dbraw/zinc/39/57/22/598395722.db2.gz CTVQNIKVUWDWTK-UHFFFAOYSA-N -1 3 334.301 3.773 20 0 EHADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cc2ccccc2s1 ZINC000736117719 598421837 /nfs/dbraw/zinc/42/18/37/598421837.db2.gz GKGZDBACTWRWNR-NSHDSACASA-N -1 3 349.419 3.572 20 0 EHADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2s1 ZINC000736117719 598421839 /nfs/dbraw/zinc/42/18/39/598421839.db2.gz GKGZDBACTWRWNR-NSHDSACASA-N -1 3 349.419 3.572 20 0 EHADHM CC(=CC(=O)Nc1sccc1-c1nnn[n-]1)c1ccccc1Cl ZINC000735447680 598440646 /nfs/dbraw/zinc/44/06/46/598440646.db2.gz LLKLDXBTOYYPFZ-HJWRWDBZSA-N -1 3 345.815 3.624 20 0 EHADHM CC(=CC(=O)Nc1sccc1-c1nn[n-]n1)c1ccccc1Cl ZINC000735447680 598440648 /nfs/dbraw/zinc/44/06/48/598440648.db2.gz LLKLDXBTOYYPFZ-HJWRWDBZSA-N -1 3 345.815 3.624 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1N1CCC[C@H](c2ccccc2)CC1 ZINC000737640728 598459431 /nfs/dbraw/zinc/45/94/31/598459431.db2.gz NQCSGJHFWGSXBI-HNNXBMFYSA-N -1 3 337.402 3.780 20 0 EHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)C1CCCCC1 ZINC000826420923 607846013 /nfs/dbraw/zinc/84/60/13/607846013.db2.gz JFTSCYJQYUXXAF-UHFFFAOYSA-N -1 3 336.848 3.762 20 0 EHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)C1CCCCC1 ZINC000826420923 607846014 /nfs/dbraw/zinc/84/60/14/607846014.db2.gz JFTSCYJQYUXXAF-UHFFFAOYSA-N -1 3 336.848 3.762 20 0 EHADHM C[C@H]1CCC[C@@H](CC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC000736252215 598489837 /nfs/dbraw/zinc/48/98/37/598489837.db2.gz PYZSPHRSLHIGQB-QWHCGFSZSA-N -1 3 344.463 3.578 20 0 EHADHM C[C@H]1CCC[C@@H](CC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC000736252215 598489838 /nfs/dbraw/zinc/48/98/38/598489838.db2.gz PYZSPHRSLHIGQB-QWHCGFSZSA-N -1 3 344.463 3.578 20 0 EHADHM C[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)CC(C)(C)C ZINC000735975651 598490146 /nfs/dbraw/zinc/49/01/46/598490146.db2.gz NNTBVPYFJBXDRP-GFCCVEGCSA-N -1 3 346.479 3.824 20 0 EHADHM C[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)CC(C)(C)C ZINC000735975651 598490148 /nfs/dbraw/zinc/49/01/48/598490148.db2.gz NNTBVPYFJBXDRP-GFCCVEGCSA-N -1 3 346.479 3.824 20 0 EHADHM CCCc1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)sc1C ZINC000736497109 598588735 /nfs/dbraw/zinc/58/87/35/598588735.db2.gz ODXAYRUKWBKSIJ-UHFFFAOYSA-N -1 3 345.403 3.581 20 0 EHADHM CCCc1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)sc1C ZINC000736497109 598588737 /nfs/dbraw/zinc/58/87/37/598588737.db2.gz ODXAYRUKWBKSIJ-UHFFFAOYSA-N -1 3 345.403 3.581 20 0 EHADHM Fc1ccccc1OCCCNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737670049 598637553 /nfs/dbraw/zinc/63/75/53/598637553.db2.gz SENLOCFQKHJWAV-UHFFFAOYSA-N -1 3 347.781 3.540 20 0 EHADHM Fc1ccccc1OCCCNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737670049 598637555 /nfs/dbraw/zinc/63/75/55/598637555.db2.gz SENLOCFQKHJWAV-UHFFFAOYSA-N -1 3 347.781 3.540 20 0 EHADHM Clc1cc(NCc2cccc3cccnc32)ccc1-c1nnn[n-]1 ZINC000737563045 598666511 /nfs/dbraw/zinc/66/65/11/598666511.db2.gz DEHBMFDXNQEUPI-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM Clc1cc(NCc2cccc3cccnc32)ccc1-c1nn[n-]n1 ZINC000737563045 598666513 /nfs/dbraw/zinc/66/65/13/598666513.db2.gz DEHBMFDXNQEUPI-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM CCCN(C(=O)c1sccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000736471149 598668190 /nfs/dbraw/zinc/66/81/90/598668190.db2.gz ICLSHXZUUCJGOY-UHFFFAOYSA-N -1 3 347.831 3.638 20 0 EHADHM CCCN(C(=O)c1sccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000736471149 598668192 /nfs/dbraw/zinc/66/81/92/598668192.db2.gz ICLSHXZUUCJGOY-UHFFFAOYSA-N -1 3 347.831 3.638 20 0 EHADHM Cc1cccc2c1OCC[C@@H]2Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737411307 598668801 /nfs/dbraw/zinc/66/88/01/598668801.db2.gz ZUWHLOGHOWEQBP-HNNXBMFYSA-N -1 3 341.802 3.764 20 0 EHADHM Cc1cccc2c1OCC[C@@H]2Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737411307 598668802 /nfs/dbraw/zinc/66/88/02/598668802.db2.gz ZUWHLOGHOWEQBP-HNNXBMFYSA-N -1 3 341.802 3.764 20 0 EHADHM c1csc([C@@H](Nc2ccc(-c3nn[n-]n3)cc2)c2ccccc2)n1 ZINC000738428968 598758007 /nfs/dbraw/zinc/75/80/07/598758007.db2.gz QONPTLXIKGPRMX-HNNXBMFYSA-N -1 3 334.408 3.525 20 0 EHADHM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737415347 598764788 /nfs/dbraw/zinc/76/47/88/598764788.db2.gz NXLIHLQDAAIIDI-GOSISDBHSA-N -1 3 349.438 3.644 20 0 EHADHM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737415347 598764789 /nfs/dbraw/zinc/76/47/89/598764789.db2.gz NXLIHLQDAAIIDI-GOSISDBHSA-N -1 3 349.438 3.644 20 0 EHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(C(F)F)c1 ZINC000738151018 598791282 /nfs/dbraw/zinc/79/12/82/598791282.db2.gz FJKOJGKOXMTHHG-UHFFFAOYSA-N -1 3 349.728 3.710 20 0 EHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(C(F)F)c1 ZINC000738151018 598791284 /nfs/dbraw/zinc/79/12/84/598791284.db2.gz FJKOJGKOXMTHHG-UHFFFAOYSA-N -1 3 349.728 3.710 20 0 EHADHM C[C@@H](Nc1ccc(Br)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736136141 599306586 /nfs/dbraw/zinc/30/65/86/599306586.db2.gz CRWPRGUYCAGWJT-SNVBAGLBSA-N -1 3 344.216 3.802 20 0 EHADHM C[C@@H](Nc1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736136141 599306588 /nfs/dbraw/zinc/30/65/88/599306588.db2.gz CRWPRGUYCAGWJT-SNVBAGLBSA-N -1 3 344.216 3.802 20 0 EHADHM C[C@H](SCCOc1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191897 599325928 /nfs/dbraw/zinc/32/59/28/599325928.db2.gz XOVALHAHFPOICW-LBPRGKRZSA-N -1 3 344.415 3.879 20 0 EHADHM C[C@H](SCCOc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191897 599325929 /nfs/dbraw/zinc/32/59/29/599325929.db2.gz XOVALHAHFPOICW-LBPRGKRZSA-N -1 3 344.415 3.879 20 0 EHADHM Clc1ccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)s1 ZINC000737577331 599405252 /nfs/dbraw/zinc/40/52/52/599405252.db2.gz VQUAQUBPSVNMKH-UHFFFAOYSA-N -1 3 342.815 3.742 20 0 EHADHM Clc1ccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)s1 ZINC000737577331 599405254 /nfs/dbraw/zinc/40/52/54/599405254.db2.gz VQUAQUBPSVNMKH-UHFFFAOYSA-N -1 3 342.815 3.742 20 0 EHADHM CCOc1cccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000736655419 599411721 /nfs/dbraw/zinc/41/17/21/599411721.db2.gz RVRRULBRSJGFTG-UHFFFAOYSA-N -1 3 329.791 3.531 20 0 EHADHM CCOc1cccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000736655419 599411723 /nfs/dbraw/zinc/41/17/23/599411723.db2.gz RVRRULBRSJGFTG-UHFFFAOYSA-N -1 3 329.791 3.531 20 0 EHADHM C[C@H]1C[C@H]1c1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)o1 ZINC000736236332 599413369 /nfs/dbraw/zinc/41/33/69/599413369.db2.gz JKKJNIASLKBFLD-TVQRCGJNSA-N -1 3 329.791 3.849 20 0 EHADHM C[C@H]1C[C@H]1c1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)o1 ZINC000736236332 599413370 /nfs/dbraw/zinc/41/33/70/599413370.db2.gz JKKJNIASLKBFLD-TVQRCGJNSA-N -1 3 329.791 3.849 20 0 EHADHM Fc1cccc(CCCNc2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000737668532 599434610 /nfs/dbraw/zinc/43/46/10/599434610.db2.gz VWARURFNJFVFQA-UHFFFAOYSA-N -1 3 348.385 3.599 20 0 EHADHM Fc1cccc(CCCNc2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000737668532 599434611 /nfs/dbraw/zinc/43/46/11/599434611.db2.gz VWARURFNJFVFQA-UHFFFAOYSA-N -1 3 348.385 3.599 20 0 EHADHM Fc1ccc(N[C@H]2CCc3cc(Cl)ccc32)c(-c2nnn[n-]2)c1 ZINC000822778424 599493833 /nfs/dbraw/zinc/49/38/33/599493833.db2.gz HSAKGIFLBNCCLD-AWEZNQCLSA-N -1 3 329.766 3.759 20 0 EHADHM Fc1ccc(N[C@H]2CCc3cc(Cl)ccc32)c(-c2nn[n-]n2)c1 ZINC000822778424 599493836 /nfs/dbraw/zinc/49/38/36/599493836.db2.gz HSAKGIFLBNCCLD-AWEZNQCLSA-N -1 3 329.766 3.759 20 0 EHADHM Fc1ccc2c(c1)CC[C@@H]2Nc1c(Cl)cccc1-c1nnn[n-]1 ZINC000822786262 599494218 /nfs/dbraw/zinc/49/42/18/599494218.db2.gz GSBSLSLMJDAHRQ-AWEZNQCLSA-N -1 3 329.766 3.759 20 0 EHADHM Fc1ccc2c(c1)CC[C@@H]2Nc1c(Cl)cccc1-c1nn[n-]n1 ZINC000822786262 599494219 /nfs/dbraw/zinc/49/42/19/599494219.db2.gz GSBSLSLMJDAHRQ-AWEZNQCLSA-N -1 3 329.766 3.759 20 0 EHADHM CCCCCC[C@@H](C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821048392 599509852 /nfs/dbraw/zinc/50/98/52/599509852.db2.gz CAPGPNLWBFDQST-KGLIPLIRSA-N -1 3 329.448 3.650 20 0 EHADHM CCCCCC[C@@H](C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821048392 599509854 /nfs/dbraw/zinc/50/98/54/599509854.db2.gz CAPGPNLWBFDQST-KGLIPLIRSA-N -1 3 329.448 3.650 20 0 EHADHM CCC(=CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820833591 599519076 /nfs/dbraw/zinc/51/90/76/599519076.db2.gz ZKZTYNUTSOXSFS-RHIYTYFCSA-N -1 3 347.422 3.538 20 0 EHADHM CCC(=CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820833591 599519078 /nfs/dbraw/zinc/51/90/78/599519078.db2.gz ZKZTYNUTSOXSFS-RHIYTYFCSA-N -1 3 347.422 3.538 20 0 EHADHM c1csc(C(Nc2ncccc2-c2nnn[n-]2)c2cccs2)c1 ZINC000738451434 599530412 /nfs/dbraw/zinc/53/04/12/599530412.db2.gz GMPVGOWZGISFGN-UHFFFAOYSA-N -1 3 340.437 3.586 20 0 EHADHM c1csc(C(Nc2ncccc2-c2nn[n-]n2)c2cccs2)c1 ZINC000738451434 599530414 /nfs/dbraw/zinc/53/04/14/599530414.db2.gz GMPVGOWZGISFGN-UHFFFAOYSA-N -1 3 340.437 3.586 20 0 EHADHM CCc1ccc([C@@H](C)CC(=O)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736682355 599540100 /nfs/dbraw/zinc/54/01/00/599540100.db2.gz BGJUCSCGQNXHNF-ZDUSSCGKSA-N -1 3 336.395 3.528 20 0 EHADHM CCc1ccc([C@@H](C)CC(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736682355 599540104 /nfs/dbraw/zinc/54/01/04/599540104.db2.gz BGJUCSCGQNXHNF-ZDUSSCGKSA-N -1 3 336.395 3.528 20 0 EHADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1ccc(F)cc1-c1nnn[n-]1 ZINC000820668441 599564356 /nfs/dbraw/zinc/56/43/56/599564356.db2.gz SNFUCVITHZLDDO-WCQYABFASA-N -1 3 341.365 3.527 20 0 EHADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1ccc(F)cc1-c1nn[n-]n1 ZINC000820668441 599564359 /nfs/dbraw/zinc/56/43/59/599564359.db2.gz SNFUCVITHZLDDO-WCQYABFASA-N -1 3 341.365 3.527 20 0 EHADHM O=C(CC1CCC1)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000822940678 599630913 /nfs/dbraw/zinc/63/09/13/599630913.db2.gz AAJAJNHIZXNQDL-UHFFFAOYSA-N -1 3 347.422 3.590 20 0 EHADHM O=C(CC1CCC1)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000822940678 599630914 /nfs/dbraw/zinc/63/09/14/599630914.db2.gz AAJAJNHIZXNQDL-UHFFFAOYSA-N -1 3 347.422 3.590 20 0 EHADHM O=C(CC1CCC1)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000822941501 599630929 /nfs/dbraw/zinc/63/09/29/599630929.db2.gz XSHOCKIKCXGTKU-UHFFFAOYSA-N -1 3 345.472 3.716 20 0 EHADHM O=C(CC1CCC1)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000822941501 599630930 /nfs/dbraw/zinc/63/09/30/599630930.db2.gz XSHOCKIKCXGTKU-UHFFFAOYSA-N -1 3 345.472 3.716 20 0 EHADHM CCC(C)(C)CC(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820847541 599649672 /nfs/dbraw/zinc/64/96/72/599649672.db2.gz GCRAKDTYWCSKAW-UHFFFAOYSA-N -1 3 329.448 3.682 20 0 EHADHM CCC(C)(C)CC(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820847541 599649673 /nfs/dbraw/zinc/64/96/73/599649673.db2.gz GCRAKDTYWCSKAW-UHFFFAOYSA-N -1 3 329.448 3.682 20 0 EHADHM Cc1ccc(C(F)(F)F)cc1NCc1ccccc1-c1nnn[n-]1 ZINC000822230681 599694840 /nfs/dbraw/zinc/69/48/40/599694840.db2.gz NMMSCHZMPZYJAM-UHFFFAOYSA-N -1 3 333.317 3.806 20 0 EHADHM Cc1ccc(C(F)(F)F)cc1NCc1ccccc1-c1nn[n-]n1 ZINC000822230681 599694841 /nfs/dbraw/zinc/69/48/41/599694841.db2.gz NMMSCHZMPZYJAM-UHFFFAOYSA-N -1 3 333.317 3.806 20 0 EHADHM C[C@H](CN(Cc1cc(Br)ccc1Cl)C1CC1)C(=O)[O-] ZINC000574525778 600545950 /nfs/dbraw/zinc/54/59/50/600545950.db2.gz NWVYNBYKRRXLEG-SECBINFHSA-N -1 3 346.652 3.788 20 0 EHADHM CC[C@@H](C)Oc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000820876950 607475185 /nfs/dbraw/zinc/47/51/85/607475185.db2.gz XBPJXSDFUWOXQE-GFCCVEGCSA-N -1 3 341.390 3.795 20 0 EHADHM CC[C@@H](C)Oc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000820876950 607475187 /nfs/dbraw/zinc/47/51/87/607475187.db2.gz XBPJXSDFUWOXQE-GFCCVEGCSA-N -1 3 341.390 3.795 20 0 EHADHM CCc1oc(C(=O)[O-])cc1CN1CCC(OCc2ccccc2)CC1 ZINC000565542807 601411068 /nfs/dbraw/zinc/41/10/68/601411068.db2.gz IKPUAQPYSBUSBX-UHFFFAOYSA-N -1 3 343.423 3.721 20 0 EHADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H]1c1ccccc1OC ZINC000830369138 601415827 /nfs/dbraw/zinc/41/58/27/601415827.db2.gz KAMSDRYIIBOKEZ-OAHLLOKOSA-N -1 3 329.396 3.886 20 0 EHADHM CCN(Cc1cc(C(=O)[O-])sc1C)Cc1ccc(OC)c(OC)c1 ZINC000829722528 601616914 /nfs/dbraw/zinc/61/69/14/601616914.db2.gz MEEPFCSNFSVZIL-UHFFFAOYSA-N -1 3 349.452 3.794 20 0 EHADHM CN(c1ccccc1)C1CCN(Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000830888432 601623106 /nfs/dbraw/zinc/62/31/06/601623106.db2.gz QWBMMLDZUJVDDA-UHFFFAOYSA-N -1 3 342.414 3.625 20 0 EHADHM c1sc(-c2ccc3c(c2)CCO3)nc1-c1cccc(-c2nnn[n-]2)c1 ZINC000826513030 607530044 /nfs/dbraw/zinc/53/00/44/607530044.db2.gz XPDXPSCJNRJJFW-UHFFFAOYSA-N -1 3 347.403 3.592 20 0 EHADHM c1sc(-c2ccc3c(c2)CCO3)nc1-c1cccc(-c2nn[n-]n2)c1 ZINC000826513030 607530045 /nfs/dbraw/zinc/53/00/45/607530045.db2.gz XPDXPSCJNRJJFW-UHFFFAOYSA-N -1 3 347.403 3.592 20 0 EHADHM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2cnc(-c3ccccc3)s2)C1 ZINC000825272646 604229549 /nfs/dbraw/zinc/22/95/49/604229549.db2.gz MQCZNTPRPDQVNI-ZFWWWQNUSA-N -1 3 345.468 3.678 20 0 EHADHM C[C@@H](NCC[C@H]1CCCN(C(=O)[O-])C1)c1nc2ccccc2s1 ZINC000825490648 604299455 /nfs/dbraw/zinc/29/94/55/604299455.db2.gz NQYGLUOAYWROPC-CHWSQXEVSA-N -1 3 333.457 3.727 20 0 EHADHM C[C@H](NCC1CCN(C(=O)[O-])CC1)c1nc(-c2ccccc2)cs1 ZINC000825489586 604509726 /nfs/dbraw/zinc/50/97/26/604509726.db2.gz CAOGXEOVMIXSRR-ZDUSSCGKSA-N -1 3 345.468 3.851 20 0 EHADHM CC(C)(C(=O)[O-])[C@@H](NCc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000826105962 604628525 /nfs/dbraw/zinc/62/85/25/604628525.db2.gz NSWPXQSAKLFKDB-IBGZPJMESA-N -1 3 349.434 3.814 20 0 EHADHM C[C@@H](c1ccncc1)N(C)CCOc1ccc(C(=O)[O-])cc1Cl ZINC000833550194 604720072 /nfs/dbraw/zinc/72/00/72/604720072.db2.gz KSMZXCNAAOGZKG-LBPRGKRZSA-N -1 3 334.803 3.505 20 0 EHADHM CC(C)(C)n1cc(CN(CCCC(=O)[O-])Cc2ccccc2)cn1 ZINC000833452870 604770675 /nfs/dbraw/zinc/77/06/75/604770675.db2.gz KHLZVBDDBDDDOO-UHFFFAOYSA-N -1 3 329.444 3.505 20 0 EHADHM Cc1cc(Cl)c2c(c1)[C@@H](N[C@H]1CCCN(C(=O)[O-])C1)CCCO2 ZINC000832885932 604772759 /nfs/dbraw/zinc/77/27/59/604772759.db2.gz RFNGYBFLYXNMNK-WFASDCNBSA-N -1 3 338.835 3.594 20 0 EHADHM C[C@]1(NCc2csc(Cc3ccccc3)n2)CCCC[C@@H]1C(=O)[O-] ZINC000833567963 604815329 /nfs/dbraw/zinc/81/53/29/604815329.db2.gz BRXKPYXQOLPOPM-APWZRJJASA-N -1 3 344.480 3.857 20 0 EHADHM C[C@H](c1nc(-c2cccs2)no1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000652500011 604944367 /nfs/dbraw/zinc/94/43/67/604944367.db2.gz WVAUEZITIFNPAB-NEPJUHHUSA-N -1 3 349.456 3.682 20 0 EHADHM C[C@@H](c1nc(-c2cccs2)no1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000652500012 604944389 /nfs/dbraw/zinc/94/43/89/604944389.db2.gz WVAUEZITIFNPAB-NWDGAFQWSA-N -1 3 349.456 3.682 20 0 EHADHM C[C@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccc(Cl)c(Cl)c1 ZINC000827718424 604986097 /nfs/dbraw/zinc/98/60/97/604986097.db2.gz REVSJBJDXUSIBB-LKFCYVNXSA-N -1 3 325.195 3.865 20 0 EHADHM C[C@H](Oc1ccc(CNC2(c3ccc(F)cc3)CCC2)cc1)C(=O)[O-] ZINC000833539672 605088490 /nfs/dbraw/zinc/08/84/90/605088490.db2.gz HNPOVJXVEWOIRG-AWEZNQCLSA-N -1 3 343.398 3.847 20 0 EHADHM C[C@@H](NCc1ccc([C@H](C)NC(=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000825503174 605118936 /nfs/dbraw/zinc/11/89/36/605118936.db2.gz PKUMBTUTNVVFFR-OLZOCXBDSA-N -1 3 342.395 3.595 20 0 EHADHM COc1ccc([C@@H](C)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1 ZINC000829302876 605119982 /nfs/dbraw/zinc/11/99/82/605119982.db2.gz KYHATORCXJJHIJ-ZIAGYGMSSA-N -1 3 328.412 3.875 20 0 EHADHM C[C@H](Oc1ccc(CN2C[C@@H](C(F)(F)F)CC[C@H]2C)cc1)C(=O)[O-] ZINC000833537687 605731118 /nfs/dbraw/zinc/73/11/18/605731118.db2.gz NQIHOHCARRTWRQ-DYEKYZERSA-N -1 3 345.361 3.701 20 0 EHADHM O=C([O-])N[C@@H]1C[C@@H](N[C@H]2CCc3cc(F)ccc32)c2ccccc21 ZINC000834158994 605798201 /nfs/dbraw/zinc/79/82/01/605798201.db2.gz NOLSCDVKFQQAKZ-RCCFBDPRSA-N -1 3 326.371 3.856 20 0 EHADHM CCN(C/C(Cl)=C/Cl)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821169700 606100551 /nfs/dbraw/zinc/10/05/51/606100551.db2.gz BCMVAKIYHKMIGW-AAIQCTMTSA-N -1 3 326.231 3.569 20 0 EHADHM CCN(C/C(Cl)=C/Cl)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821169700 606100553 /nfs/dbraw/zinc/10/05/53/606100553.db2.gz BCMVAKIYHKMIGW-AAIQCTMTSA-N -1 3 326.231 3.569 20 0 EHADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1ccccc1C(F)(F)F ZINC000822743620 606156070 /nfs/dbraw/zinc/15/60/70/606156070.db2.gz APHJQJIXXWDQEL-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1ccccc1C(F)(F)F ZINC000822743620 606156072 /nfs/dbraw/zinc/15/60/72/606156072.db2.gz APHJQJIXXWDQEL-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM C[C@@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ncc(C(C)(C)C)o1 ZINC000820413606 606173201 /nfs/dbraw/zinc/17/32/01/606173201.db2.gz SLUKPOHNLBUDSD-NWDGAFQWSA-N -1 3 340.431 3.564 20 0 EHADHM C[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ncc(C(C)(C)C)o1 ZINC000820413606 606173202 /nfs/dbraw/zinc/17/32/02/606173202.db2.gz SLUKPOHNLBUDSD-NWDGAFQWSA-N -1 3 340.431 3.564 20 0 EHADHM C[C@H](NCc1cccc(-c2nn[n-]n2)c1)c1c(F)cccc1Cl ZINC000820432782 606224297 /nfs/dbraw/zinc/22/42/97/606224297.db2.gz RXONGDVXFRWIBF-JTQLQIEISA-N -1 3 331.782 3.510 20 0 EHADHM C[C@@H](OC(=O)CC/C=C/c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820496709 606355704 /nfs/dbraw/zinc/35/57/04/606355704.db2.gz OONGIWVGQDHZED-FUVBFXSKSA-N -1 3 348.406 3.965 20 0 EHADHM C[C@@H](OC(=O)CC/C=C/c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820496709 606355705 /nfs/dbraw/zinc/35/57/05/606355705.db2.gz OONGIWVGQDHZED-FUVBFXSKSA-N -1 3 348.406 3.965 20 0 EHADHM CC[C@@H](C)C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820862949 606361445 /nfs/dbraw/zinc/36/14/45/606361445.db2.gz SATPSQFOBXWMDT-GFCCVEGCSA-N -1 3 338.367 3.611 20 0 EHADHM CC[C@@H](C)C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820862949 606361447 /nfs/dbraw/zinc/36/14/47/606361447.db2.gz SATPSQFOBXWMDT-GFCCVEGCSA-N -1 3 338.367 3.611 20 0 EHADHM CCCC[C@H](CCC)NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000821042526 606392022 /nfs/dbraw/zinc/39/20/22/606392022.db2.gz DFXFTBIZFVJXDV-LBPRGKRZSA-N -1 3 332.477 3.512 20 0 EHADHM CCCC[C@H](CCC)NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000821042526 606392024 /nfs/dbraw/zinc/39/20/24/606392024.db2.gz DFXFTBIZFVJXDV-LBPRGKRZSA-N -1 3 332.477 3.512 20 0 EHADHM CC(C)(C)OCCCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819950664 606765914 /nfs/dbraw/zinc/76/59/14/606765914.db2.gz KSWSURZUJKRCQM-UHFFFAOYSA-N -1 3 343.353 3.503 20 0 EHADHM CC(C)(C)OCCCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819950664 606765916 /nfs/dbraw/zinc/76/59/16/606765916.db2.gz KSWSURZUJKRCQM-UHFFFAOYSA-N -1 3 343.353 3.503 20 0 EHADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1ncc(-c2ccccc2)o1 ZINC000822135859 606769677 /nfs/dbraw/zinc/76/96/77/606769677.db2.gz GAVZKEKNUXTOIO-UHFFFAOYSA-N -1 3 347.378 3.718 20 0 EHADHM c1cn(C2CCCC2)nc1CSCc1cccc(-c2nnn[n-]2)c1 ZINC000823751634 606841685 /nfs/dbraw/zinc/84/16/85/606841685.db2.gz NSLFNZNYLUZQCU-UHFFFAOYSA-N -1 3 340.456 3.612 20 0 EHADHM c1cn(C2CCCC2)nc1CSCc1cccc(-c2nn[n-]n2)c1 ZINC000823751634 606841686 /nfs/dbraw/zinc/84/16/86/606841686.db2.gz NSLFNZNYLUZQCU-UHFFFAOYSA-N -1 3 340.456 3.612 20 0 EHADHM CN(C(=O)c1ccc(C(C)(C)C)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000821573607 606872025 /nfs/dbraw/zinc/87/20/25/606872025.db2.gz XITIFHWCORZMEZ-UHFFFAOYSA-N -1 3 341.440 3.502 20 0 EHADHM CN(C(=O)c1ccc(C(C)(C)C)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000821573607 606872028 /nfs/dbraw/zinc/87/20/28/606872028.db2.gz XITIFHWCORZMEZ-UHFFFAOYSA-N -1 3 341.440 3.502 20 0 EHADHM COc1cccc([C@@H](C)Sc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000821858847 606877992 /nfs/dbraw/zinc/87/79/92/606877992.db2.gz HKSYVXZSSAPLNK-SNVBAGLBSA-N -1 3 330.388 3.868 20 0 EHADHM c1ccc2c(c1)OC1(CCC1)C[C@H]2Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823802609 606880039 /nfs/dbraw/zinc/88/00/39/606880039.db2.gz UNLXLPVSAJNUBM-MRXNPFEDSA-N -1 3 333.395 3.725 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCC[C@@H]1CC(C)C ZINC000822217359 606906683 /nfs/dbraw/zinc/90/66/83/606906683.db2.gz BZOAMVOMGIEIOL-OAHLLOKOSA-N -1 3 342.447 3.608 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCC[C@@H]1CC(C)C ZINC000822217359 606906684 /nfs/dbraw/zinc/90/66/84/606906684.db2.gz BZOAMVOMGIEIOL-OAHLLOKOSA-N -1 3 342.447 3.608 20 0 EHADHM CC(C)COc1ccccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820102925 606926766 /nfs/dbraw/zinc/92/67/66/606926766.db2.gz LUYGMAHNTGOUFG-UHFFFAOYSA-N -1 3 341.390 3.653 20 0 EHADHM CC(C)COc1ccccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820102925 606926767 /nfs/dbraw/zinc/92/67/67/606926767.db2.gz LUYGMAHNTGOUFG-UHFFFAOYSA-N -1 3 341.390 3.653 20 0 EHADHM Clc1ccc(NCc2cc3ccccc3o2)cc1-c1nnn[n-]1 ZINC000822578847 607124125 /nfs/dbraw/zinc/12/41/25/607124125.db2.gz RELRYYAEOCDNHL-UHFFFAOYSA-N -1 3 325.759 3.878 20 0 EHADHM Clc1ccc(NCc2cc3ccccc3o2)cc1-c1nn[n-]n1 ZINC000822578847 607124126 /nfs/dbraw/zinc/12/41/26/607124126.db2.gz RELRYYAEOCDNHL-UHFFFAOYSA-N -1 3 325.759 3.878 20 0 EHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cc2ccccc2o1 ZINC000823318743 607190506 /nfs/dbraw/zinc/19/05/06/607190506.db2.gz JHRNSZFRZPDVAV-UHFFFAOYSA-N -1 3 339.742 3.519 20 0 EHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cc2ccccc2o1 ZINC000823318743 607190507 /nfs/dbraw/zinc/19/05/07/607190507.db2.gz JHRNSZFRZPDVAV-UHFFFAOYSA-N -1 3 339.742 3.519 20 0 EHADHM O=C(Nc1cc(C(F)F)ccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000823299138 607192285 /nfs/dbraw/zinc/19/22/85/607192285.db2.gz JNNKEPRXSIIQJD-UHFFFAOYSA-N -1 3 349.728 3.710 20 0 EHADHM O=C(Nc1cc(C(F)F)ccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000823299138 607192286 /nfs/dbraw/zinc/19/22/86/607192286.db2.gz JNNKEPRXSIIQJD-UHFFFAOYSA-N -1 3 349.728 3.710 20 0 EHADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000821014925 607194174 /nfs/dbraw/zinc/19/41/74/607194174.db2.gz LXDMJYAUSJPMPC-CJNGLKHVSA-N -1 3 342.447 3.608 20 0 EHADHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000821014925 607194175 /nfs/dbraw/zinc/19/41/75/607194175.db2.gz LXDMJYAUSJPMPC-CJNGLKHVSA-N -1 3 342.447 3.608 20 0 EHADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820698991 607195627 /nfs/dbraw/zinc/19/56/27/607195627.db2.gz XFODKWMHXUOEGY-QMTHXVAHSA-N -1 3 348.838 3.563 20 0 EHADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820698991 607195628 /nfs/dbraw/zinc/19/56/28/607195628.db2.gz XFODKWMHXUOEGY-QMTHXVAHSA-N -1 3 348.838 3.563 20 0 EHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)cc1NCc1ccsc1 ZINC000822723704 607227500 /nfs/dbraw/zinc/22/75/00/607227500.db2.gz LHASVYCSYPKHSF-UHFFFAOYSA-N -1 3 325.319 3.559 20 0 EHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)cc1NCc1ccsc1 ZINC000822723704 607227501 /nfs/dbraw/zinc/22/75/01/607227501.db2.gz LHASVYCSYPKHSF-UHFFFAOYSA-N -1 3 325.319 3.559 20 0 EHADHM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820697172 607241200 /nfs/dbraw/zinc/24/12/00/607241200.db2.gz FNPOKEAQRYQPCD-GHMZBOCLSA-N -1 3 333.823 3.675 20 0 EHADHM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820697172 607241201 /nfs/dbraw/zinc/24/12/01/607241201.db2.gz FNPOKEAQRYQPCD-GHMZBOCLSA-N -1 3 333.823 3.675 20 0 EHADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)ccc1Cl ZINC000822176334 607241421 /nfs/dbraw/zinc/24/14/21/607241421.db2.gz JMCGCWVWXSNPAG-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)ccc1Cl ZINC000822176334 607241422 /nfs/dbraw/zinc/24/14/22/607241422.db2.gz JMCGCWVWXSNPAG-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM O=C(CC1CCCCCC1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822940977 607243763 /nfs/dbraw/zinc/24/37/63/607243763.db2.gz LVXDFJBIIWRVNG-UHFFFAOYSA-N -1 3 333.823 3.819 20 0 EHADHM O=C(CC1CCCCCC1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822940977 607243764 /nfs/dbraw/zinc/24/37/64/607243764.db2.gz LVXDFJBIIWRVNG-UHFFFAOYSA-N -1 3 333.823 3.819 20 0 EHADHM Cc1cccc(NC(=S)Nc2cccc(-c3nnn[n-]3)c2C)c1C ZINC000822323674 607252294 /nfs/dbraw/zinc/25/22/94/607252294.db2.gz MCSPTDXZSZZJOW-UHFFFAOYSA-N -1 3 338.440 3.601 20 0 EHADHM Cc1cccc(NC(=S)Nc2cccc(-c3nn[n-]n3)c2C)c1C ZINC000822323674 607252295 /nfs/dbraw/zinc/25/22/95/607252295.db2.gz MCSPTDXZSZZJOW-UHFFFAOYSA-N -1 3 338.440 3.601 20 0 EHADHM FC(F)(F)CCCCSCCOc1ccccc1-c1nnn[n-]1 ZINC000826367840 607785174 /nfs/dbraw/zinc/78/51/74/607785174.db2.gz QMOOZRXHKGGYGI-UHFFFAOYSA-N -1 3 346.378 3.711 20 0 EHADHM FC(F)(F)CCCCSCCOc1ccccc1-c1nn[n-]n1 ZINC000826367840 607785175 /nfs/dbraw/zinc/78/51/75/607785175.db2.gz QMOOZRXHKGGYGI-UHFFFAOYSA-N -1 3 346.378 3.711 20 0 EHADHM CCN(C(=O)C/C=C\c1ccc(C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825372125 607796505 /nfs/dbraw/zinc/79/65/05/607796505.db2.gz QXADBFZODADAFR-PLNGDYQASA-N -1 3 347.422 3.632 20 0 EHADHM CCN(C(=O)C/C=C\c1ccc(C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825372125 607796506 /nfs/dbraw/zinc/79/65/06/607796506.db2.gz QXADBFZODADAFR-PLNGDYQASA-N -1 3 347.422 3.632 20 0 EHADHM CCN(C(=O)c1ccc2sccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825386119 607799604 /nfs/dbraw/zinc/79/96/04/607799604.db2.gz YBLXXNPYQLDUHO-UHFFFAOYSA-N -1 3 349.419 3.748 20 0 EHADHM CCN(C(=O)c1ccc2sccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825386119 607799605 /nfs/dbraw/zinc/79/96/05/607799605.db2.gz YBLXXNPYQLDUHO-UHFFFAOYSA-N -1 3 349.419 3.748 20 0 EHADHM FC(F)C(F)(F)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826369972 607844873 /nfs/dbraw/zinc/84/48/73/607844873.db2.gz YECOXMDAYFDYSR-UHFFFAOYSA-N -1 3 326.706 3.513 20 0 EHADHM FC(F)C(F)(F)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826369972 607844874 /nfs/dbraw/zinc/84/48/74/607844874.db2.gz YECOXMDAYFDYSR-UHFFFAOYSA-N -1 3 326.706 3.513 20 0 EHADHM CCSc1ccccc1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000825674855 607866923 /nfs/dbraw/zinc/86/69/23/607866923.db2.gz SXQSXMVMJZUHKD-UHFFFAOYSA-N -1 3 330.388 3.697 20 0 EHADHM CCSc1ccccc1OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000825674855 607866924 /nfs/dbraw/zinc/86/69/24/607866924.db2.gz SXQSXMVMJZUHKD-UHFFFAOYSA-N -1 3 330.388 3.697 20 0 EHADHM CCN(C(=O)CC1=CCCCC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367044 607878763 /nfs/dbraw/zinc/87/87/63/607878763.db2.gz IJYRMGMFRNBXIK-UHFFFAOYSA-N -1 3 345.834 3.764 20 0 EHADHM CCN(C(=O)CC1=CCCCC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367044 607878764 /nfs/dbraw/zinc/87/87/64/607878764.db2.gz IJYRMGMFRNBXIK-UHFFFAOYSA-N -1 3 345.834 3.764 20 0 EHADHM CC(C)c1ccc([C@@H]2CCCN2c2ncccc2-c2nnn[n-]2)cc1 ZINC000824348036 607968589 /nfs/dbraw/zinc/96/85/89/607968589.db2.gz XJTLOLSSWBMFGS-KRWDZBQOSA-N -1 3 334.427 3.727 20 0 EHADHM CC(C)c1ccc([C@@H]2CCCN2c2ncccc2-c2nn[n-]n2)cc1 ZINC000824348036 607968590 /nfs/dbraw/zinc/96/85/90/607968590.db2.gz XJTLOLSSWBMFGS-KRWDZBQOSA-N -1 3 334.427 3.727 20 0 EHADHM CC[C@@H](C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825038430 608182153 /nfs/dbraw/zinc/18/21/53/608182153.db2.gz BJVYTVGIGKUYRN-CXAGYDPISA-N -1 3 336.395 3.665 20 0 EHADHM CC[C@@H](C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825038430 608182155 /nfs/dbraw/zinc/18/21/55/608182155.db2.gz BJVYTVGIGKUYRN-CXAGYDPISA-N -1 3 336.395 3.665 20 0 EHADHM CSc1ccsc1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826231237 608183020 /nfs/dbraw/zinc/18/30/20/608183020.db2.gz CRDWFHWAHCVGFR-SECBINFHSA-N -1 3 346.437 3.568 20 0 EHADHM CSc1ccsc1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826231237 608183022 /nfs/dbraw/zinc/18/30/22/608183022.db2.gz CRDWFHWAHCVGFR-SECBINFHSA-N -1 3 346.437 3.568 20 0 EHADHM CSc1ccccc1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826230850 608186117 /nfs/dbraw/zinc/18/61/17/608186117.db2.gz MAPHBDQBTZTBPA-NSHDSACASA-N -1 3 340.408 3.507 20 0 EHADHM CSc1ccccc1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826230850 608186119 /nfs/dbraw/zinc/18/61/19/608186119.db2.gz MAPHBDQBTZTBPA-NSHDSACASA-N -1 3 340.408 3.507 20 0 EHADHM CCc1nc(CSc2cccc(Cl)c2-c2nnn[n-]2)cs1 ZINC000825746066 608205912 /nfs/dbraw/zinc/20/59/12/608205912.db2.gz REJODHGIFMDWBM-UHFFFAOYSA-N -1 3 337.861 3.831 20 0 EHADHM CCc1nc(CSc2cccc(Cl)c2-c2nn[n-]n2)cs1 ZINC000825746066 608205913 /nfs/dbraw/zinc/20/59/13/608205913.db2.gz REJODHGIFMDWBM-UHFFFAOYSA-N -1 3 337.861 3.831 20 0 EHADHM C[C@@H](NC(=O)C(C)(C)C1CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824470370 608306381 /nfs/dbraw/zinc/30/63/81/608306381.db2.gz HTSNZNDBNRBJRD-CYBMUJFWSA-N -1 3 341.459 3.650 20 0 EHADHM C[C@@H](NC(=O)C(C)(C)C1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824470370 608306383 /nfs/dbraw/zinc/30/63/83/608306383.db2.gz HTSNZNDBNRBJRD-CYBMUJFWSA-N -1 3 341.459 3.650 20 0 EHADHM Fc1c(CN2CCCSc3ccccc32)cccc1-c1nnn[n-]1 ZINC000826370844 608385731 /nfs/dbraw/zinc/38/57/31/608385731.db2.gz JPYUVOKVBXZFGM-UHFFFAOYSA-N -1 3 341.415 3.508 20 0 EHADHM Fc1c(CN2CCCSc3ccccc32)cccc1-c1nn[n-]n1 ZINC000826370844 608385733 /nfs/dbraw/zinc/38/57/33/608385733.db2.gz JPYUVOKVBXZFGM-UHFFFAOYSA-N -1 3 341.415 3.508 20 0 EHADHM C[C@H](NCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1Cl ZINC000824611599 608535438 /nfs/dbraw/zinc/53/54/38/608535438.db2.gz CBEANSCVQHXGES-VIFPVBQESA-N -1 3 349.772 3.649 20 0 EHADHM Clc1ccc([C@@H]2CCN2Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000826351414 608728928 /nfs/dbraw/zinc/72/89/28/608728928.db2.gz LTROAVGSCMUWEE-AWEZNQCLSA-N -1 3 331.832 3.529 20 0 EHADHM Clc1ccc([C@@H]2CCN2Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000826351414 608728929 /nfs/dbraw/zinc/72/89/29/608728929.db2.gz LTROAVGSCMUWEE-AWEZNQCLSA-N -1 3 331.832 3.529 20 0 EHADHM C[C@H]1CCN(c2ccc(F)cc2-c2nnn[n-]2)[C@H](c2ccco2)C1 ZINC000824961415 609164621 /nfs/dbraw/zinc/16/46/21/609164621.db2.gz CLJMVXTZIHGHDN-NHYWBVRUSA-N -1 3 327.363 3.576 20 0 EHADHM C[C@H]1CCN(c2ccc(F)cc2-c2nn[n-]n2)[C@H](c2ccco2)C1 ZINC000824961415 609164623 /nfs/dbraw/zinc/16/46/23/609164623.db2.gz CLJMVXTZIHGHDN-NHYWBVRUSA-N -1 3 327.363 3.576 20 0 EHADHM CC(C)C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000824244074 609171165 /nfs/dbraw/zinc/17/11/65/609171165.db2.gz QISLYNKFHVAAQM-OLZOCXBDSA-N -1 3 335.839 3.526 20 0 EHADHM CC(C)C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000824244074 609171167 /nfs/dbraw/zinc/17/11/67/609171167.db2.gz QISLYNKFHVAAQM-OLZOCXBDSA-N -1 3 335.839 3.526 20 0 EHADHM Cc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c2cccnc12 ZINC000826291391 609274212 /nfs/dbraw/zinc/27/42/12/609274212.db2.gz DFWUUCCVNSDPMX-CYBMUJFWSA-N -1 3 330.395 3.896 20 0 EHADHM Cc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c2cccnc12 ZINC000826291391 609274214 /nfs/dbraw/zinc/27/42/14/609274214.db2.gz DFWUUCCVNSDPMX-CYBMUJFWSA-N -1 3 330.395 3.896 20 0 EHADHM C[C@H](Nc1ccc(-c2csnn2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824648023 609274595 /nfs/dbraw/zinc/27/45/95/609274595.db2.gz CVKDAJRMJFEVGD-NSHDSACASA-N -1 3 349.423 3.558 20 0 EHADHM C[C@H](Nc1ccc(-c2csnn2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824648023 609274596 /nfs/dbraw/zinc/27/45/96/609274596.db2.gz CVKDAJRMJFEVGD-NSHDSACASA-N -1 3 349.423 3.558 20 0 EHADHM CC(C)Oc1ccc(F)cc1N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000824324148 609277691 /nfs/dbraw/zinc/27/76/91/609277691.db2.gz IIAFLKSUUHSKOJ-LBPRGKRZSA-N -1 3 341.390 3.966 20 0 EHADHM CC(C)Oc1ccc(F)cc1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000824324148 609277693 /nfs/dbraw/zinc/27/76/93/609277693.db2.gz IIAFLKSUUHSKOJ-LBPRGKRZSA-N -1 3 341.390 3.966 20 0 EHADHM C[C@H](Nc1ccc(F)cc1OC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824655883 609279559 /nfs/dbraw/zinc/27/95/59/609279559.db2.gz GJIULLDNQUQBIO-VIFPVBQESA-N -1 3 349.316 3.780 20 0 EHADHM C[C@H](Nc1ccc(F)cc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824655883 609279560 /nfs/dbraw/zinc/27/95/60/609279560.db2.gz GJIULLDNQUQBIO-VIFPVBQESA-N -1 3 349.316 3.780 20 0 EHADHM CC(C)n1ncc2cc(N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000824656575 609279580 /nfs/dbraw/zinc/27/95/80/609279580.db2.gz MBYLNXPIQIVXCA-ZDUSSCGKSA-N -1 3 347.426 3.970 20 0 EHADHM CC(C)n1ncc2cc(N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000824656575 609279582 /nfs/dbraw/zinc/27/95/82/609279582.db2.gz MBYLNXPIQIVXCA-ZDUSSCGKSA-N -1 3 347.426 3.970 20 0 EHADHM C[C@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1F ZINC000824531039 609341830 /nfs/dbraw/zinc/34/18/30/609341830.db2.gz OEHNOHLSMZBEGS-UWVGGRQHSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1F ZINC000824531039 609341832 /nfs/dbraw/zinc/34/18/32/609341832.db2.gz OEHNOHLSMZBEGS-UWVGGRQHSA-N -1 3 347.344 3.696 20 0 EHADHM FC(F)(F)c1cc(SC[C@H]2CCCCO2)ccc1-c1nnn[n-]1 ZINC000826368435 609451529 /nfs/dbraw/zinc/45/15/29/609451529.db2.gz PNDRDRSFWBOQRR-SECBINFHSA-N -1 3 344.362 3.547 20 0 EHADHM FC(F)(F)c1cc(SC[C@H]2CCCCO2)ccc1-c1nn[n-]n1 ZINC000826368435 609451530 /nfs/dbraw/zinc/45/15/30/609451530.db2.gz PNDRDRSFWBOQRR-SECBINFHSA-N -1 3 344.362 3.547 20 0 EHADHM CC(C)(C)OCCSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824119122 609451786 /nfs/dbraw/zinc/45/17/86/609451786.db2.gz BOQUECUNOXBLSF-UHFFFAOYSA-N -1 3 346.378 3.793 20 0 EHADHM CC(C)(C)OCCSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824119122 609451788 /nfs/dbraw/zinc/45/17/88/609451788.db2.gz BOQUECUNOXBLSF-UHFFFAOYSA-N -1 3 346.378 3.793 20 0 EHADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1csc2ccccc12 ZINC000826408546 609459620 /nfs/dbraw/zinc/45/96/20/609459620.db2.gz LFHQMOZOGKRTJC-UHFFFAOYSA-N -1 3 349.419 3.653 20 0 EHADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1csc2ccccc12 ZINC000826408546 609459621 /nfs/dbraw/zinc/45/96/21/609459621.db2.gz LFHQMOZOGKRTJC-UHFFFAOYSA-N -1 3 349.419 3.653 20 0 EHADHM CCN(C(=O)[C@H](C)c1ccccc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376887 609481040 /nfs/dbraw/zinc/48/10/40/609481040.db2.gz PEBIAECJTGYTJI-HUUCEWRRSA-N -1 3 349.438 3.580 20 0 EHADHM CCN(C(=O)[C@H](C)c1ccccc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376887 609481042 /nfs/dbraw/zinc/48/10/42/609481042.db2.gz PEBIAECJTGYTJI-HUUCEWRRSA-N -1 3 349.438 3.580 20 0 EHADHM CCOc1cc(Cl)ccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000825615729 609481085 /nfs/dbraw/zinc/48/10/85/609481085.db2.gz INXVUPZVVJURSJ-UHFFFAOYSA-N -1 3 347.781 3.670 20 0 EHADHM CCOc1cc(Cl)ccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000825615729 609481088 /nfs/dbraw/zinc/48/10/88/609481088.db2.gz INXVUPZVVJURSJ-UHFFFAOYSA-N -1 3 347.781 3.670 20 0 EHADHM CCC(C)=C(C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000825050919 609507819 /nfs/dbraw/zinc/50/78/19/609507819.db2.gz LQRUOGIKURXOQT-ZAGORRGESA-N -1 3 345.472 3.738 20 0 EHADHM CC/C(C)=C(/C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000825050919 609507820 /nfs/dbraw/zinc/50/78/20/609507820.db2.gz LQRUOGIKURXOQT-ZAGORRGESA-N -1 3 345.472 3.738 20 0 EHADHM Cc1ccnc(N[C@H](c2ccc(Cl)cc2)C2CC2)c1-c1nnn[n-]1 ZINC000826311934 609523220 /nfs/dbraw/zinc/52/32/20/609523220.db2.gz QYFOKXPUUBQJQO-HNNXBMFYSA-N -1 3 340.818 3.787 20 0 EHADHM Cc1ccnc(N[C@H](c2ccc(Cl)cc2)C2CC2)c1-c1nn[n-]n1 ZINC000826311934 609523221 /nfs/dbraw/zinc/52/32/21/609523221.db2.gz QYFOKXPUUBQJQO-HNNXBMFYSA-N -1 3 340.818 3.787 20 0 EHADHM Cc1ccccc1[C@H](C)Nc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000826305672 609527360 /nfs/dbraw/zinc/52/73/60/609527360.db2.gz FBHPDIDTZDSOQY-NSHDSACASA-N -1 3 328.807 3.705 20 0 EHADHM Cc1ccccc1[C@H](C)Nc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000826305672 609527362 /nfs/dbraw/zinc/52/73/62/609527362.db2.gz FBHPDIDTZDSOQY-NSHDSACASA-N -1 3 328.807 3.705 20 0 EHADHM Cc1nc2c(s1)[C@@H](Nc1ccc(-c3nnn[n-]3)c(Cl)c1)CCC2 ZINC000826328679 609566332 /nfs/dbraw/zinc/56/63/32/609566332.db2.gz ZAZKOCRRXKMTKN-ZDUSSCGKSA-N -1 3 346.847 3.775 20 0 EHADHM Cc1nc2c(s1)[C@@H](Nc1ccc(-c3nn[n-]n3)c(Cl)c1)CCC2 ZINC000826328679 609566334 /nfs/dbraw/zinc/56/63/34/609566334.db2.gz ZAZKOCRRXKMTKN-ZDUSSCGKSA-N -1 3 346.847 3.775 20 0 EHADHM FC1CC2(C1)CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2 ZINC001164416030 718883993 /nfs/dbraw/zinc/88/39/93/718883993.db2.gz QZWSGQGKHDLZQP-UHFFFAOYSA-N -1 3 337.798 3.682 20 0 EHADHM Fc1cc(-c2nnn[n-]2)ccc1CN(Cc1ccco1)c1ccccc1 ZINC000737639679 945107293 /nfs/dbraw/zinc/10/72/93/945107293.db2.gz RDLMKIHGGBUZRA-UHFFFAOYSA-N -1 3 349.369 3.806 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1CN(Cc1ccco1)c1ccccc1 ZINC000737639679 945107295 /nfs/dbraw/zinc/10/72/95/945107295.db2.gz RDLMKIHGGBUZRA-UHFFFAOYSA-N -1 3 349.369 3.806 20 0 EHADHM CC(=Cc1cccc(Cl)c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000758157959 945271152 /nfs/dbraw/zinc/27/11/52/945271152.db2.gz BZMHNGKYFRQWIU-FLIBITNWSA-N -1 3 339.786 3.562 20 0 EHADHM CC(=Cc1cccc(Cl)c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000758157959 945271160 /nfs/dbraw/zinc/27/11/60/945271160.db2.gz BZMHNGKYFRQWIU-FLIBITNWSA-N -1 3 339.786 3.562 20 0 EHADHM CC(C)OC(=O)O[C@@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000824309406 946652146 /nfs/dbraw/zinc/65/21/46/946652146.db2.gz NKBXAURBTUHMIY-MRVPVSSYSA-N -1 3 342.808 3.520 20 0 EHADHM CC(C)OC(=O)O[C@@H](C)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000824309406 946652152 /nfs/dbraw/zinc/65/21/52/946652152.db2.gz NKBXAURBTUHMIY-MRVPVSSYSA-N -1 3 342.808 3.520 20 0 EHADHM CC(C)n1ccc(CSc2cccc(Cl)c2-c2nnn[n-]2)n1 ZINC000824371407 946673070 /nfs/dbraw/zinc/67/30/70/946673070.db2.gz DQHMUVIKRDOIIW-UHFFFAOYSA-N -1 3 334.836 3.590 20 0 EHADHM CC(C)n1ccc(CSc2cccc(Cl)c2-c2nn[n-]n2)n1 ZINC000824371407 946673078 /nfs/dbraw/zinc/67/30/78/946673078.db2.gz DQHMUVIKRDOIIW-UHFFFAOYSA-N -1 3 334.836 3.590 20 0 EHADHM CC(=CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cccs1 ZINC001573362051 947700824 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CCOCCCCN=c1[n-]c(C(F)(F)F)c(Br)s1 ZINC000418854050 1027839742 /nfs/dbraw/zinc/83/97/42/1027839742.db2.gz SYEMSPDHQRQDEK-UHFFFAOYSA-N -1 3 347.200 3.575 20 0 EHADHM CN(CCc1cccs1)Cc1cccc([O-])c1Br ZINC000459385923 1028344212 /nfs/dbraw/zinc/34/42/12/1028344212.db2.gz ZOTFMXSALXDXKZ-UHFFFAOYSA-N -1 3 326.259 3.891 20 0 EHADHM [O-]c1cccc(CN2CCOC[C@@H]2c2ccccc2)c1Br ZINC000459375085 1028350608 /nfs/dbraw/zinc/35/06/08/1028350608.db2.gz MBDORLUBKUTECU-OAHLLOKOSA-N -1 3 348.240 3.728 20 0 EHADHM CCc1cc(=O)[n-]c(-c2ccc(NC3CC(c4ccccc4)C3)nc2)n1 ZINC000068700565 1028402849 /nfs/dbraw/zinc/40/28/49/1028402849.db2.gz NABZYJQUNWECKH-UHFFFAOYSA-N -1 3 346.434 3.752 20 0 EHADHM CC(C)Cc1ccc(C(=O)CCC(=O)Nc2ncccc2[O-])cc1 ZINC000072063732 1028499393 /nfs/dbraw/zinc/49/93/93/1028499393.db2.gz LMBIDZPZXJREJL-UHFFFAOYSA-N -1 3 326.396 3.587 20 0 EHADHM CC[C@@H]1c2ccccc2CCN1C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000122533530 1028670119 /nfs/dbraw/zinc/67/01/19/1028670119.db2.gz JNTDGAGKBKMJFJ-GOSISDBHSA-N -1 3 338.407 3.500 20 0 EHADHM Nc1ccc(F)c(Br)c1Nc1ccc([O-])c(F)c1F ZINC001212016389 1028740948 /nfs/dbraw/zinc/74/09/48/1028740948.db2.gz NTCPXFNEVLHFLP-UHFFFAOYSA-N -1 3 333.107 3.898 20 0 EHADHM O=c1ccc(-c2noc(-c3cc(Cc4ccccc4)ccc3[O-])n2)c[nH]1 ZINC000445440723 1028796564 /nfs/dbraw/zinc/79/65/64/1028796564.db2.gz XOWFVXGLACSJEL-UHFFFAOYSA-N -1 3 345.358 3.801 20 0 EHADHM CCS[C@H](C(=O)Nc1ccc(Br)cc1[O-])C(C)C ZINC000524059999 1028833576 /nfs/dbraw/zinc/83/35/76/1028833576.db2.gz JEFNZGKGQZKCTF-LBPRGKRZSA-N -1 3 332.263 3.871 20 0 EHADHM Cc1cccnc1-c1noc(-c2cc([O-])cc(Br)c2)n1 ZINC000700852440 1028906128 /nfs/dbraw/zinc/90/61/28/1028906128.db2.gz HNSYFUITFZCGME-UHFFFAOYSA-N -1 3 332.157 3.575 20 0 EHADHM Cc1oc(-c2ccccc2)nc1CN1CCCC[C@H]1CCC(=O)[O-] ZINC000424267722 1028923694 /nfs/dbraw/zinc/92/36/94/1028923694.db2.gz YKCWPVZHNNMBGX-INIZCTEOSA-N -1 3 328.412 3.869 20 0 EHADHM CCCCC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000058702567 1029058519 /nfs/dbraw/zinc/05/85/19/1029058519.db2.gz 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1029383394 /nfs/dbraw/zinc/38/33/94/1029383394.db2.gz GXCKCMIYELIXEA-UHFFFAOYSA-N -1 3 349.394 3.928 20 0 EHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(Cl)ccc3C)nc21 ZINC000162483179 1029724519 /nfs/dbraw/zinc/72/45/19/1029724519.db2.gz NFPYHLRSANMZKV-UHFFFAOYSA-N -1 3 343.770 3.564 20 0 EHADHM Cc1c(NC(=O)c2cc([O-])ccc2Cl)cnn1-c1ccccc1 ZINC000343210466 1029767245 /nfs/dbraw/zinc/76/72/45/1029767245.db2.gz TYXRJSUPCFAUBJ-UHFFFAOYSA-N -1 3 327.771 3.792 20 0 EHADHM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1 ZINC000525533945 1029883606 /nfs/dbraw/zinc/88/36/06/1029883606.db2.gz CRVQDWWXCOTZCF-UHFFFAOYSA-N -1 3 347.436 3.695 20 0 EHADHM [O-]c1cc(Cl)c(CN2CCc3nc(Cl)ncc3C2)c(Cl)c1 ZINC001142114798 1030067407 /nfs/dbraw/zinc/06/74/07/1030067407.db2.gz PCPDZPZMKPRODS-UHFFFAOYSA-N -1 3 344.629 3.701 20 0 EHADHM CCN(Cc1ccccc1Cl)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000121792699 1030396163 /nfs/dbraw/zinc/39/61/63/1030396163.db2.gz NKUNEFAYTCTVFR-UHFFFAOYSA-N -1 3 346.814 3.666 20 0 EHADHM CC1(C)CCN(C(=O)CCCc2ccc([O-])c(F)c2)CCS1 ZINC000447640907 1030398043 /nfs/dbraw/zinc/39/80/43/1030398043.db2.gz WJXKTVPQPDESQW-UHFFFAOYSA-N -1 3 325.449 3.598 20 0 EHADHM Cc1ccc([O-])c(CN2CCC[C@H]2c2ccc(Br)cn2)n1 ZINC000453609279 1030398479 /nfs/dbraw/zinc/39/84/79/1030398479.db2.gz IINNIBOOCSVALL-HNNXBMFYSA-N -1 3 348.244 3.590 20 0 EHADHM CCc1ncnc(CC)c1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000343343376 1030409914 /nfs/dbraw/zinc/40/99/14/1030409914.db2.gz LXLPPDIGVHGABE-UHFFFAOYSA-N -1 3 339.317 3.578 20 0 EHADHM CN(C)[C@@H]1CCOc2c(NC(=O)c3ccc(Cl)cc3[O-])cccc21 ZINC000447724552 1030456694 /nfs/dbraw/zinc/45/66/94/1030456694.db2.gz WTJWHDVPWSEUFF-OAHLLOKOSA-N -1 3 346.814 3.683 20 0 EHADHM O=C([O-])[C@H](c1ccc(F)cc1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000583698610 1030494194 /nfs/dbraw/zinc/49/41/94/1030494194.db2.gz IWGPROWUPGJELK-SJCJKPOMSA-N -1 3 335.325 3.719 20 0 EHADHM C[C@H](CC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1)Cc1ccc(Cl)cc1 ZINC000526960873 1030518497 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CCOC(=O)Cc1cccc(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000527455983 1030900938 /nfs/dbraw/zinc/90/09/38/1030900938.db2.gz SDPWDVNZNSFSIS-UHFFFAOYSA-N -1 3 349.386 3.903 20 0 EHADHM O=C(CCCC(F)(F)F)Nc1ccc(Br)cc1[O-] ZINC000536146863 1030946557 /nfs/dbraw/zinc/94/65/57/1030946557.db2.gz ZHMGJZCGHALUGG-UHFFFAOYSA-N -1 3 326.112 3.826 20 0 EHADHM CCc1cccc(C(=O)N2CCCN(C)c3cc(F)ccc32)c1[O-] ZINC000537679430 1030958812 /nfs/dbraw/zinc/95/88/12/1030958812.db2.gz QRUNXYFEQFIYQQ-UHFFFAOYSA-N -1 3 328.387 3.580 20 0 EHADHM C[C@@H]([N-]S(=O)(=O)CCC(C)(C)C)c1nc(C2CCCCC2)no1 ZINC000174069098 1031159531 /nfs/dbraw/zinc/15/95/31/1031159531.db2.gz HYPAAWWQIUHDGG-GFCCVEGCSA-N -1 3 343.493 3.534 20 0 EHADHM O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)[N-]OCC(F)F ZINC000760147212 1031266725 /nfs/dbraw/zinc/26/67/25/1031266725.db2.gz LSVAAJLDGKMIQT-VURMDHGXSA-N -1 3 327.327 3.880 20 0 EHADHM CCc1cccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)c1 ZINC000083577320 1031513579 /nfs/dbraw/zinc/51/35/79/1031513579.db2.gz GBTYNWDPMKKXJE-UHFFFAOYSA-N -1 3 348.443 3.789 20 0 EHADHM CCc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(OC)c2OC)s1 ZINC000903998175 1031582363 /nfs/dbraw/zinc/58/23/63/1031582363.db2.gz HGOVPLIBCJCXDY-HNNXBMFYSA-N -1 3 349.452 3.633 20 0 EHADHM CCc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)s1 ZINC000903996995 1031599031 /nfs/dbraw/zinc/59/90/31/1031599031.db2.gz MCMXIYRKLIJMHS-HNNXBMFYSA-N -1 3 349.452 3.633 20 0 EHADHM COc1ccc(-c2nc(CN[C@@H](C)[C@H](C(=O)[O-])C(C)C)cs2)cc1 ZINC000904021384 1031614727 /nfs/dbraw/zinc/61/47/27/1031614727.db2.gz UUQADPWNNDMWPH-BLLLJJGKSA-N -1 3 348.468 3.654 20 0 EHADHM O=C([O-])[C@@H]1CC=C[C@@H](NCc2cc(Cl)ccc2OCC2CC2)C1 ZINC000904035055 1031643356 /nfs/dbraw/zinc/64/33/56/1031643356.db2.gz AICOTCOJWAVDBN-CZUORRHYSA-N -1 3 335.831 3.638 20 0 EHADHM CSC[C@H](NCc1c(Cl)cccc1SC(C)C)C(=O)[O-] ZINC000904041759 1031658714 /nfs/dbraw/zinc/65/87/14/1031658714.db2.gz VKSIWRHDNLLLEE-LBPRGKRZSA-N -1 3 333.906 3.746 20 0 EHADHM COc1ccc(CN[C@H](CC(=O)[O-])c2cccc(C)c2)cc1Cl ZINC000904045930 1031663338 /nfs/dbraw/zinc/66/33/38/1031663338.db2.gz RMTPZLLRNYYXTE-MRXNPFEDSA-N -1 3 333.815 3.963 20 0 EHADHM Cc1ccc(F)cc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151621124 1031761284 /nfs/dbraw/zinc/76/12/84/1031761284.db2.gz NCZKCNAXTWEXAH-UHFFFAOYSA-N -1 3 338.176 3.532 20 0 EHADHM CC(C)[C@H](C)N(C(=O)c1cc([O-])cc(Br)c1)C1CC1 ZINC000528180201 1031851569 /nfs/dbraw/zinc/85/15/69/1031851569.db2.gz YGXPTDDVRVQFNH-JTQLQIEISA-N -1 3 326.234 3.804 20 0 EHADHM O=C([O-])N[C@H]1C[C@@H](NCc2cccc(Cl)c2Cl)C12CCC2 ZINC000904252679 1031901278 /nfs/dbraw/zinc/90/12/78/1031901278.db2.gz FQZWBVFUEDVJAA-NEPJUHHUSA-N -1 3 329.227 3.662 20 0 EHADHM CCc1noc(C)c1[N-]C(=O)c1csc(Cc2cccc(F)c2)n1 ZINC000181188596 1031991092 /nfs/dbraw/zinc/99/10/92/1031991092.db2.gz GHTGBDFCJSEGCH-UHFFFAOYSA-N -1 3 345.399 3.984 20 0 EHADHM Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1CCCCC(=O)[O-] ZINC000181576247 1032007498 /nfs/dbraw/zinc/00/74/98/1032007498.db2.gz ZFKXADLKSLAMNZ-AWEZNQCLSA-N -1 3 341.883 3.893 20 0 EHADHM Cc1ccc(-c2nc(NC(=O)c3ccccc3C(F)(F)F)n[n-]2)o1 ZINC000181884964 1032039623 /nfs/dbraw/zinc/03/96/23/1032039623.db2.gz PKQUGBGOZGPKHD-UHFFFAOYSA-N -1 3 336.273 3.644 20 0 EHADHM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000449975708 1033532848 /nfs/dbraw/zinc/53/28/48/1033532848.db2.gz YMWNLNXDVALLOF-YVEFUNNKSA-N -1 3 331.362 3.823 20 0 EHADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Cc2ccc([O-])c(F)c2)o1 ZINC000450000975 1033554298 /nfs/dbraw/zinc/55/42/98/1033554298.db2.gz WRKCULOFRZYJHU-MLGOLLRUSA-N -1 3 331.387 3.975 20 0 EHADHM COc1ccc(C(=O)N[C@@H]2CCSc3c(F)cccc32)c([O-])c1 ZINC000057662903 1033615428 /nfs/dbraw/zinc/61/54/28/1033615428.db2.gz ZHMNCVNOKVXMHJ-CQSZACIVSA-N -1 3 333.384 3.507 20 0 EHADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1nc(-c2ccccc2)cs1 ZINC000107176193 1033650338 /nfs/dbraw/zinc/65/03/38/1033650338.db2.gz WBHSQAMYOKCJGS-LLVKDONJSA-N -1 3 340.404 3.712 20 0 EHADHM O=C([N-]c1nc(Cc2ccccc2)ns1)c1cc(F)c(F)c(F)c1 ZINC000107198723 1033651816 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O=C(Nc1cc(Br)ccc1[O-])[C@H]1C[C@@H]1c1cccs1 ZINC001177539185 1133078736 /nfs/dbraw/zinc/07/87/36/1133078736.db2.gz HFDVAAJFOURDHS-UWVGGRQHSA-N -1 3 338.226 3.958 20 0 EHADHM Cc1ccc(C2(C(=O)Nc3cc(Br)ccc3[O-])CC2)nc1 ZINC001178142332 1133135660 /nfs/dbraw/zinc/13/56/60/1133135660.db2.gz PVMRAMHTNIOTFJ-UHFFFAOYSA-N -1 3 347.212 3.528 20 0 EHADHM O=C([N-][C@@H](c1c(F)cccc1F)C(F)(F)F)C1(F)CCCC1 ZINC000773729235 1133146740 /nfs/dbraw/zinc/14/67/40/1133146740.db2.gz NWHNUIZTOBTMIC-NSHDSACASA-N -1 3 325.252 3.967 20 0 EHADHM CC(C)n1cc([N-]S(=O)(=O)/C=C/c2cccc(Cl)c2)cn1 ZINC000768883465 1133196295 /nfs/dbraw/zinc/19/62/95/1133196295.db2.gz XWCFGZWRELGYAL-VOTSOKGWSA-N -1 3 325.821 3.530 20 0 EHADHM CC(C)OC(=O)c1cc(NC(=O)CCCCCc2cccs2)[n-]n1 ZINC001179076175 1133226384 /nfs/dbraw/zinc/22/63/84/1133226384.db2.gz TUUJOOYGNXZLGA-UHFFFAOYSA-N -1 3 349.456 3.778 20 0 EHADHM CC(C)OC(=O)c1cc(NC(=O)CCCCCc2cccs2)n[n-]1 ZINC001179076175 1133226387 /nfs/dbraw/zinc/22/63/87/1133226387.db2.gz 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Cc1ccc(NC(=O)COC(=O)c2cc3occc3[n-]2)c(Cl)c1 ZINC000786029020 1133792625 /nfs/dbraw/zinc/79/26/25/1133792625.db2.gz BYVVACAQRFVEJX-UHFFFAOYSA-N -1 3 332.743 3.518 20 0 EHADHM C[C@@H](OC(=O)c1cc2occc2[n-]1)C(=O)c1ccc(OC(F)F)cc1 ZINC000786031887 1133794300 /nfs/dbraw/zinc/79/43/00/1133794300.db2.gz SMEOHJVLYIWTBK-SECBINFHSA-N -1 3 349.289 3.791 20 0 EHADHM Cc1cc(C(=O)COC(=O)c2cc3occc3[n-]2)c(Cl)cc1F ZINC000786034945 1133795162 /nfs/dbraw/zinc/79/51/62/1133795162.db2.gz YKQYUPAQQNLPFS-UHFFFAOYSA-N -1 3 335.718 3.902 20 0 EHADHM CC(C)N(C(=O)[C@@H](C)OC(=O)c1cc2sccc2c([O-])c1)C(C)C ZINC000786141756 1133805923 /nfs/dbraw/zinc/80/59/23/1133805923.db2.gz MQMGCFLGDTTXMF-GFCCVEGCSA-N -1 3 349.452 3.798 20 0 EHADHM CC(=O)Oc1ccc(COC(=O)c2cc3sccc3c([O-])c2)cc1 ZINC000786142106 1133806572 /nfs/dbraw/zinc/80/65/72/1133806572.db2.gz RWPIPRLLOFYWCR-UHFFFAOYSA-N -1 3 342.372 3.889 20 0 EHADHM CCCCOc1ccc(C(=O)N[C@H]2C[C@]2(F)c2ccccc2)c([O-])c1 ZINC001183732994 1133847031 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CC1(C[N-]S(=O)(=O)c2cc3ccccc3s2)CC(F)(F)C1 ZINC001185472347 1134093488 /nfs/dbraw/zinc/09/34/88/1134093488.db2.gz RRAJSYSXSYFAHT-UHFFFAOYSA-N -1 3 331.409 3.615 20 0 EHADHM COc1ccc(NC(=O)c2cc3sccc3c([O-])c2)c(OC)c1 ZINC000788262621 1134102392 /nfs/dbraw/zinc/10/23/92/1134102392.db2.gz WWZYZLQGFUVIHD-UHFFFAOYSA-N -1 3 329.377 3.876 20 0 EHADHM C[S@](=O)Cc1cccc(NC(=O)c2cc3sccc3c([O-])c2)c1 ZINC000788299074 1134104741 /nfs/dbraw/zinc/10/47/41/1134104741.db2.gz OGBGGGXHWGEWFQ-QHCPKHFHSA-N -1 3 345.445 3.738 20 0 EHADHM O=C(NCc1nc2cc(F)ccc2[nH]1)c1cc2sccc2c([O-])c1 ZINC000788306807 1134105496 /nfs/dbraw/zinc/10/54/96/1134105496.db2.gz VCWHSCPFHWDJAX-UHFFFAOYSA-N -1 3 341.367 3.552 20 0 EHADHM C[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1cc2sccc2c([O-])c1 ZINC000788304860 1134105979 /nfs/dbraw/zinc/10/59/79/1134105979.db2.gz MQYWDDKPEMBLSZ-MLGOLLRUSA-N -1 3 341.432 3.849 20 0 EHADHM Cn1nccc1[C@H](OC(=O)c1cc2ccsc2[n-]1)c1ccccc1 ZINC000788401922 1134122578 /nfs/dbraw/zinc/12/25/78/1134122578.db2.gz 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3.654 20 0 EHADHM Cc1ccccc1C1CCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000106778595 1137884617 /nfs/dbraw/zinc/88/46/17/1137884617.db2.gz LYPAHORTLJTHHE-UHFFFAOYSA-N -1 3 346.430 3.856 20 0 EHADHM CC(C)c1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)c([O-])c1 ZINC000332016432 1137928783 /nfs/dbraw/zinc/92/87/83/1137928783.db2.gz XGGWSOXUCGUQCU-SJLPKXTDSA-N -1 3 343.398 3.603 20 0 EHADHM COc1cc(CNC(=O)Nc2cccc(C)c2C)cc(Cl)c1[O-] ZINC001202709339 1137936987 /nfs/dbraw/zinc/93/69/87/1137936987.db2.gz CNLNOMGQXGIFSS-UHFFFAOYSA-N -1 3 334.803 3.993 20 0 EHADHM CC(=O)c1ccc(C(=O)N2CCC(C)(c3ccccc3)CC2)cc1[O-] ZINC000332358770 1137941310 /nfs/dbraw/zinc/94/13/10/1137941310.db2.gz IVYDTCRKQXEZBH-UHFFFAOYSA-N -1 3 337.419 3.789 20 0 EHADHM CC(C)c1ccc(C(=O)N[C@H]2CCc3cnn(C(C)C)c3C2)c([O-])c1 ZINC000332636092 1137949759 /nfs/dbraw/zinc/94/97/59/1137949759.db2.gz KMMHOHYOIGLIPW-INIZCTEOSA-N -1 3 341.455 3.580 20 0 EHADHM CC1(C)C[C@@H](O)c2cccc(NC(=O)c3cc([O-])ccc3Cl)c2O1 ZINC000885659181 1138016059 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CC(C)Cn1ncc(C(=O)Nc2cc(F)ccc2[O-])c1C(F)F ZINC000179652561 1139772713 /nfs/dbraw/zinc/77/27/13/1139772713.db2.gz TZLNRHKSRQQKBK-UHFFFAOYSA-N -1 3 327.306 3.574 20 0 EHADHM CCc1cc(=O)[n-]c(CN[C@H](CC)c2ccccc2OC(F)F)n1 ZINC000179715723 1139776728 /nfs/dbraw/zinc/77/67/28/1139776728.db2.gz SQEBQGUCCMMHRR-CYBMUJFWSA-N -1 3 337.370 3.587 20 0 EHADHM CCc1ccc([C@H](C)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000182733475 1139989252 /nfs/dbraw/zinc/98/92/52/1139989252.db2.gz GAVWIYLVSQSNIC-ZDUSSCGKSA-N -1 3 348.468 3.802 20 0 EHADHM CC(C)(C)C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)C(F)(F)F ZINC000183077065 1140011650 /nfs/dbraw/zinc/01/16/50/1140011650.db2.gz YUNKBFLWYVMXEK-CYBMUJFWSA-N -1 3 340.345 3.625 20 0 EHADHM COc1cc(C(=O)N(C2CC2)C2CCC(C)CC2)cc(OC)c1[O-] ZINC000186714750 1140218310 /nfs/dbraw/zinc/21/83/10/1140218310.db2.gz XYKJMCGCQPNMSM-UHFFFAOYSA-N -1 3 333.428 3.593 20 0 EHADHM C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccccc1[O-] ZINC000187081200 1140236678 /nfs/dbraw/zinc/23/66/78/1140236678.db2.gz KPHXIWCLKRUBQP-YVEFUNNKSA-N -1 3 331.799 3.648 20 0 EHADHM O=C(CCCCc1ccc(Cl)c(Cl)c1)[N-]OC[C@@H]1CCOC1 ZINC000187909837 1140276358 /nfs/dbraw/zinc/27/63/58/1140276358.db2.gz QRGNKIALDNJIPR-CYBMUJFWSA-N -1 3 346.254 3.791 20 0 EHADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cc(C)c(Cl)s2)s1 ZINC000188086101 1140282749 /nfs/dbraw/zinc/28/27/49/1140282749.db2.gz WCNZFJLPVAKIAU-QMMMGPOBSA-N -1 3 336.891 3.514 20 0 EHADHM Cc1ccc(-c2ncccc2NC([O-])=NO[C@@H]2CCCCO2)s1 ZINC000189483649 1140346391 /nfs/dbraw/zinc/34/63/91/1140346391.db2.gz YKHXQHKEMCRGQP-CQSZACIVSA-N -1 3 333.413 3.698 20 0 EHADHM Cc1ccc(-c2ncccc2NC(=O)[N-]O[C@@H]2CCCCO2)s1 ZINC000189483649 1140346395 /nfs/dbraw/zinc/34/63/95/1140346395.db2.gz YKHXQHKEMCRGQP-CQSZACIVSA-N -1 3 333.413 3.698 20 0 EHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(OC)c(OC)c2)CC)n1 ZINC000193616871 1140579976 /nfs/dbraw/zinc/57/99/76/1140579976.db2.gz YYMVJLSLTRCHKD-GXDHUFHOSA-N -1 3 328.412 3.690 20 0 EHADHM CC(C)c1nnc([C@@H](C)[N-]C(=O)C(F)(F)c2cccc(Cl)c2)[nH]1 ZINC000270974966 1141288532 /nfs/dbraw/zinc/28/85/32/1141288532.db2.gz CGFXJJOMEIINLN-SECBINFHSA-N -1 3 342.777 3.551 20 0 EHADHM O=C(C[C@@H]1CCCCCN1C(=O)c1ccccc1[O-])c1ccco1 ZINC000271371257 1141353068 /nfs/dbraw/zinc/35/30/68/1141353068.db2.gz JEMQVFAZGOUVHV-AWEZNQCLSA-N -1 3 327.380 3.643 20 0 EHADHM [O-]c1ccc(OCc2ccccc2)cc1-c1nc([C@@H]2CCCO2)no1 ZINC000274071982 1141471078 /nfs/dbraw/zinc/47/10/78/1141471078.db2.gz FRUVWCHXMKMLGW-KRWDZBQOSA-N -1 3 338.363 3.873 20 0 EHADHM Cc1nc(-c2ccc(NC(=O)N3CCC(C)(C)CC3)cc2)cc(=O)[n-]1 ZINC000339164992 1141515314 /nfs/dbraw/zinc/51/53/14/1141515314.db2.gz OCLQZMCLHDPICM-UHFFFAOYSA-N -1 3 340.427 3.812 20 0 EHADHM O=C([O-])C[C@H]1CCCCN1CCOc1ccc(Cl)cc1Cl ZINC000038028105 213192777 /nfs/dbraw/zinc/19/27/77/213192777.db2.gz GWBKURFLZDALMS-GFCCVEGCSA-N -1 3 332.227 3.701 20 0 EHADHM C[C@H]1CC(Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C[C@H](C)C1 ZINC000736226036 598856723 /nfs/dbraw/zinc/85/67/23/598856723.db2.gz UWCCXDNQPYFPFL-RKDXNWHRSA-N -1 3 340.353 3.517 20 0 EHADHM C[C@H]1CC(Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C[C@H](C)C1 ZINC000736226036 598856724 /nfs/dbraw/zinc/85/67/24/598856724.db2.gz UWCCXDNQPYFPFL-RKDXNWHRSA-N -1 3 340.353 3.517 20 0 EHADHM CC(C)[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000735735296 598935198 /nfs/dbraw/zinc/93/51/98/598935198.db2.gz QWWUHSBVKKZWGQ-AWEZNQCLSA-N -1 3 328.807 3.724 20 0 EHADHM CC(C)[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000735735296 598935199 /nfs/dbraw/zinc/93/51/99/598935199.db2.gz QWWUHSBVKKZWGQ-AWEZNQCLSA-N -1 3 328.807 3.724 20 0 EHADHM Cc1cc([C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)c(C)s1 ZINC000737246957 598937534 /nfs/dbraw/zinc/93/75/34/598937534.db2.gz WJXYDCPKFVOYSI-MRVPVSSYSA-N -1 3 334.836 3.767 20 0 EHADHM Cc1cc([C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)c(C)s1 ZINC000737246957 598937535 /nfs/dbraw/zinc/93/75/35/598937535.db2.gz WJXYDCPKFVOYSI-MRVPVSSYSA-N -1 3 334.836 3.767 20 0 EHADHM C[C@@H](Sc1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(F)cc1 ZINC000736189827 598940128 /nfs/dbraw/zinc/94/01/28/598940128.db2.gz CGHHXAWDHKQRCL-MRVPVSSYSA-N -1 3 335.795 3.908 20 0 EHADHM C[C@@H](Sc1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(F)cc1 ZINC000736189827 598940130 /nfs/dbraw/zinc/94/01/30/598940130.db2.gz CGHHXAWDHKQRCL-MRVPVSSYSA-N -1 3 335.795 3.908 20 0 EHADHM C[C@@H](SCc1noc(C(C)(C)C)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193335 599325479 /nfs/dbraw/zinc/32/54/79/599325479.db2.gz PBRGAKJWBPFGSV-SNVBAGLBSA-N -1 3 344.444 3.542 20 0 EHADHM C[C@@H](SCc1noc(C(C)(C)C)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193335 599325480 /nfs/dbraw/zinc/32/54/80/599325480.db2.gz PBRGAKJWBPFGSV-SNVBAGLBSA-N -1 3 344.444 3.542 20 0 EHADHM C[C@@H](CNc1c(Cl)cccc1-c1nnn[n-]1)Oc1ccccc1F ZINC000820276169 599066912 /nfs/dbraw/zinc/06/69/12/599066912.db2.gz TWYZAWINZAXCNL-JTQLQIEISA-N -1 3 347.781 3.539 20 0 EHADHM C[C@@H](CNc1c(Cl)cccc1-c1nn[n-]n1)Oc1ccccc1F ZINC000820276169 599066915 /nfs/dbraw/zinc/06/69/15/599066915.db2.gz TWYZAWINZAXCNL-JTQLQIEISA-N -1 3 347.781 3.539 20 0 EHADHM COc1ccccc1[C@H](C)Sc1cccc(F)c1-c1nnn[n-]1 ZINC000821882850 599068435 /nfs/dbraw/zinc/06/84/35/599068435.db2.gz MDQCYNWWWPNCQR-JTQLQIEISA-N -1 3 330.388 3.868 20 0 EHADHM C[C@H](COCc1ccccc1)Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000820287787 599080233 /nfs/dbraw/zinc/08/02/33/599080233.db2.gz QCJXYCKSPDRWER-GFCCVEGCSA-N -1 3 343.818 3.537 20 0 EHADHM C[C@H](COCc1ccccc1)Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820287787 599080235 /nfs/dbraw/zinc/08/02/35/599080235.db2.gz QCJXYCKSPDRWER-GFCCVEGCSA-N -1 3 343.818 3.537 20 0 EHADHM Fc1ccc(NCc2ccc(-c3cccnc3)cc2)c(-c2nnn[n-]2)c1 ZINC000822782806 599111972 /nfs/dbraw/zinc/11/19/72/599111972.db2.gz HOEATKDSBXEWKI-UHFFFAOYSA-N -1 3 346.369 3.680 20 0 EHADHM Fc1ccc(NCc2ccc(-c3cccnc3)cc2)c(-c2nn[n-]n2)c1 ZINC000822782806 599111975 /nfs/dbraw/zinc/11/19/75/599111975.db2.gz HOEATKDSBXEWKI-UHFFFAOYSA-N -1 3 346.369 3.680 20 0 EHADHM C[C@@H](O)[C@H](C)SCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000820468606 599129734 /nfs/dbraw/zinc/12/97/34/599129734.db2.gz VJZBRRKNUPYTPC-OLZOCXBDSA-N -1 3 340.452 3.536 20 0 EHADHM C[C@@H](O)[C@H](C)SCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000820468606 599129736 /nfs/dbraw/zinc/12/97/36/599129736.db2.gz VJZBRRKNUPYTPC-OLZOCXBDSA-N -1 3 340.452 3.536 20 0 EHADHM Clc1cccc(N2CCC[C@@H]2c2cccs2)c1-c1nnn[n-]1 ZINC000822585562 599219117 /nfs/dbraw/zinc/21/91/17/599219117.db2.gz FFXSDDMIOOQBDZ-LLVKDONJSA-N -1 3 331.832 3.923 20 0 EHADHM Clc1cccc(N2CCC[C@@H]2c2cccs2)c1-c1nn[n-]n1 ZINC000822585562 599219119 /nfs/dbraw/zinc/21/91/19/599219119.db2.gz FFXSDDMIOOQBDZ-LLVKDONJSA-N -1 3 331.832 3.923 20 0 EHADHM Cc1nn(Cc2ccccc2)c(C)c1CNCc1ccc(C(=O)[O-])cc1 ZINC000426683241 597135249 /nfs/dbraw/zinc/13/52/49/597135249.db2.gz PXLRHSODHSWCCN-UHFFFAOYSA-N -1 3 349.434 3.536 20 0 EHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@H](CC1CC1)c1ccccc1 ZINC000823308919 599244678 /nfs/dbraw/zinc/24/46/78/599244678.db2.gz MOUHAGQIGPHWKS-QGZVFWFLSA-N -1 3 348.410 3.530 20 0 EHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@H](CC1CC1)c1ccccc1 ZINC000823308919 599244681 /nfs/dbraw/zinc/24/46/81/599244681.db2.gz MOUHAGQIGPHWKS-QGZVFWFLSA-N -1 3 348.410 3.530 20 0 EHADHM Cc1c(NC(=O)N2CCC[C@@H]2CC(C)(C)C)cccc1-c1nnn[n-]1 ZINC000822084881 607286313 /nfs/dbraw/zinc/28/63/13/607286313.db2.gz RHTHZVZYUKFNJN-CYBMUJFWSA-N -1 3 342.447 3.608 20 0 EHADHM Cc1c(NC(=O)N2CCC[C@@H]2CC(C)(C)C)cccc1-c1nn[n-]n1 ZINC000822084881 607286314 /nfs/dbraw/zinc/28/63/14/607286314.db2.gz RHTHZVZYUKFNJN-CYBMUJFWSA-N -1 3 342.447 3.608 20 0 EHADHM CCCOc1cc(C)ccc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000821127096 607312239 /nfs/dbraw/zinc/31/22/39/607312239.db2.gz BCXXHPBPCAJYOG-UHFFFAOYSA-N -1 3 329.429 3.638 20 0 EHADHM CCCOc1cc(C)ccc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000821127096 607312240 /nfs/dbraw/zinc/31/22/40/607312240.db2.gz BCXXHPBPCAJYOG-UHFFFAOYSA-N -1 3 329.429 3.638 20 0 EHADHM C[C@@H](Nc1nc(-c2ccccc2)ns1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736135522 599271616 /nfs/dbraw/zinc/27/16/16/599271616.db2.gz AYIGRKWJHJXJIB-LLVKDONJSA-N -1 3 349.423 3.558 20 0 EHADHM C[C@@H](Nc1nc(-c2ccccc2)ns1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736135522 599271617 /nfs/dbraw/zinc/27/16/17/599271617.db2.gz AYIGRKWJHJXJIB-LLVKDONJSA-N -1 3 349.423 3.558 20 0 EHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CC1CCCCC1 ZINC000736488346 599278785 /nfs/dbraw/zinc/27/87/85/599278785.db2.gz PHISLFPNSPUVAC-UHFFFAOYSA-N -1 3 342.447 3.598 20 0 EHADHM CCc1noc(C)c1CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825771788 607843845 /nfs/dbraw/zinc/84/38/45/607843845.db2.gz RWDXEYIBLFMTEZ-UHFFFAOYSA-N -1 3 335.820 3.671 20 0 EHADHM CCc1noc(C)c1CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825771788 607843846 /nfs/dbraw/zinc/84/38/46/607843846.db2.gz RWDXEYIBLFMTEZ-UHFFFAOYSA-N -1 3 335.820 3.671 20 0 EHADHM C[C@H](Sc1ncnc2ccsc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193297 599287497 /nfs/dbraw/zinc/28/74/97/599287497.db2.gz RDHWUDUDISYWND-VIFPVBQESA-N -1 3 340.437 3.725 20 0 EHADHM C[C@H](Sc1ncnc2ccsc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193297 599287499 /nfs/dbraw/zinc/28/74/99/599287499.db2.gz RDHWUDUDISYWND-VIFPVBQESA-N -1 3 340.437 3.725 20 0 EHADHM COc1cc(C)c([C@H](C)NCc2cccc(C(=O)[O-])c2)cc1OC ZINC000263504979 598191929 /nfs/dbraw/zinc/19/19/29/598191929.db2.gz WUSAAABYABNLMN-ZDUSSCGKSA-N -1 3 329.396 3.561 20 0 EHADHM C[C@H](CC(=O)OCc1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000735974223 598288905 /nfs/dbraw/zinc/28/89/05/598288905.db2.gz BABVXJXRJTXTDQ-CYBMUJFWSA-N -1 3 328.416 3.516 20 0 EHADHM C[C@H](CC(=O)OCc1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000735974223 598288907 /nfs/dbraw/zinc/28/89/07/598288907.db2.gz BABVXJXRJTXTDQ-CYBMUJFWSA-N -1 3 328.416 3.516 20 0 EHADHM C[C@@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000735977712 598289268 /nfs/dbraw/zinc/28/92/68/598289268.db2.gz QZERZESJUREVRH-ZDUSSCGKSA-N -1 3 328.416 3.516 20 0 EHADHM C[C@@H](CC(=O)OCc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000735977712 598289270 /nfs/dbraw/zinc/28/92/70/598289270.db2.gz QZERZESJUREVRH-ZDUSSCGKSA-N -1 3 328.416 3.516 20 0 EHADHM Clc1cccc(SCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737574377 598294478 /nfs/dbraw/zinc/29/44/78/598294478.db2.gz JGBPSIKXJJPRNX-UHFFFAOYSA-N -1 3 332.816 3.691 20 0 EHADHM CC(C)(CCNc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000735667318 598391891 /nfs/dbraw/zinc/39/18/91/598391891.db2.gz YSLBWIPWSAFWSR-UHFFFAOYSA-N -1 3 342.834 3.695 20 0 EHADHM CC(C)(CCNc1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000735667318 598391893 /nfs/dbraw/zinc/39/18/93/598391893.db2.gz YSLBWIPWSAFWSR-UHFFFAOYSA-N -1 3 342.834 3.695 20 0 EHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@H](C)CC(C)C ZINC000736478604 598494648 /nfs/dbraw/zinc/49/46/48/598494648.db2.gz FCSDFLBRTHEAED-OAHLLOKOSA-N -1 3 343.475 3.678 20 0 EHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@H](C)CC(C)C ZINC000736478604 598494649 /nfs/dbraw/zinc/49/46/49/598494649.db2.gz FCSDFLBRTHEAED-OAHLLOKOSA-N -1 3 343.475 3.678 20 0 EHADHM CCCCCC[C@@H](C)CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000736444081 598495636 /nfs/dbraw/zinc/49/56/36/598495636.db2.gz CKSUJHDDRSMPSY-CQSZACIVSA-N -1 3 329.448 3.826 20 0 EHADHM CCCCCC[C@@H](C)CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000736444081 598495638 /nfs/dbraw/zinc/49/56/38/598495638.db2.gz CKSUJHDDRSMPSY-CQSZACIVSA-N -1 3 329.448 3.826 20 0 EHADHM CCc1c(C)sc(NC(=O)C=Cc2cccs2)c1-c1nnn[n-]1 ZINC000736670378 598517069 /nfs/dbraw/zinc/51/70/69/598517069.db2.gz ODEDQLPPDNFXJV-SREVYHEPSA-N -1 3 345.453 3.512 20 0 EHADHM CCc1c(C)sc(NC(=O)C=Cc2cccs2)c1-c1nn[n-]n1 ZINC000736670378 598517070 /nfs/dbraw/zinc/51/70/70/598517070.db2.gz ODEDQLPPDNFXJV-SREVYHEPSA-N -1 3 345.453 3.512 20 0 EHADHM CCc1c(C)sc(NC(=O)c2cc(C)c(C)s2)c1-c1nnn[n-]1 ZINC000736675255 598518595 /nfs/dbraw/zinc/51/85/95/598518595.db2.gz ISMCJUFPOLAMAD-UHFFFAOYSA-N -1 3 347.469 3.730 20 0 EHADHM CCc1c(C)sc(NC(=O)c2cc(C)c(C)s2)c1-c1nn[n-]n1 ZINC000736675255 598518596 /nfs/dbraw/zinc/51/85/96/598518596.db2.gz ISMCJUFPOLAMAD-UHFFFAOYSA-N -1 3 347.469 3.730 20 0 EHADHM CC(C)(C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735590274 598555051 /nfs/dbraw/zinc/55/50/51/598555051.db2.gz XFAVOXXQRIDFDZ-UHFFFAOYSA-N -1 3 337.383 3.644 20 0 EHADHM CC(C)(C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735590274 598555052 /nfs/dbraw/zinc/55/50/52/598555052.db2.gz XFAVOXXQRIDFDZ-UHFFFAOYSA-N -1 3 337.383 3.644 20 0 EHADHM C[C@H]1CCCN(c2ccccc2OCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736275998 598616434 /nfs/dbraw/zinc/61/64/34/598616434.db2.gz GAZUCOKUIIGXNW-HNNXBMFYSA-N -1 3 349.438 3.682 20 0 EHADHM C[C@H]1CCCN(c2ccccc2OCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736275998 598616435 /nfs/dbraw/zinc/61/64/35/598616435.db2.gz GAZUCOKUIIGXNW-HNNXBMFYSA-N -1 3 349.438 3.682 20 0 EHADHM Fc1ccc(COc2ccccc2C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000737647356 598644767 /nfs/dbraw/zinc/64/47/67/598644767.db2.gz CLOXVUVHPPGLFK-UHFFFAOYSA-N -1 3 338.264 3.604 20 0 EHADHM Fc1ccc(COc2ccccc2C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000737647356 598644769 /nfs/dbraw/zinc/64/47/69/598644769.db2.gz CLOXVUVHPPGLFK-UHFFFAOYSA-N -1 3 338.264 3.604 20 0 EHADHM CC(C)[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000591176519 598646479 /nfs/dbraw/zinc/64/64/79/598646479.db2.gz YUMCRCZLCQWCQG-KRWDZBQOSA-N -1 3 335.411 3.635 20 0 EHADHM CC(C)[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000591176519 598646480 /nfs/dbraw/zinc/64/64/80/598646480.db2.gz YUMCRCZLCQWCQG-KRWDZBQOSA-N -1 3 335.411 3.635 20 0 EHADHM Cc1cccc2c1CC[C@@H]2Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737408634 598672400 /nfs/dbraw/zinc/67/24/00/598672400.db2.gz KQIJIPYDRBTKBO-INIZCTEOSA-N -1 3 325.803 3.928 20 0 EHADHM Cc1cccc2c1CC[C@@H]2Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737408634 598672401 /nfs/dbraw/zinc/67/24/01/598672401.db2.gz KQIJIPYDRBTKBO-INIZCTEOSA-N -1 3 325.803 3.928 20 0 EHADHM C[C@@H]1CN(c2ccc(Cl)cc2-c2nnn[n-]2)Cc2ccccc21 ZINC000736286962 598791389 /nfs/dbraw/zinc/79/13/89/598791389.db2.gz CLZOIQDGXQYPKG-LLVKDONJSA-N -1 3 325.803 3.644 20 0 EHADHM C[C@@H]1CN(c2ccc(Cl)cc2-c2nn[n-]n2)Cc2ccccc21 ZINC000736286962 598791391 /nfs/dbraw/zinc/79/13/91/598791391.db2.gz CLZOIQDGXQYPKG-LLVKDONJSA-N -1 3 325.803 3.644 20 0 EHADHM c1cc(OC2CCCCC2)ccc1Oc1ccc(-c2nnn[n-]2)cn1 ZINC000738418474 598796652 /nfs/dbraw/zinc/79/66/52/598796652.db2.gz JDMMIKRKTNHNAA-UHFFFAOYSA-N -1 3 337.383 3.766 20 0 EHADHM c1cc(OC2CCCCC2)ccc1Oc1ccc(-c2nn[n-]n2)cn1 ZINC000738418474 598796655 /nfs/dbraw/zinc/79/66/55/598796655.db2.gz JDMMIKRKTNHNAA-UHFFFAOYSA-N -1 3 337.383 3.766 20 0 EHADHM C[C@H](Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820455726 599365298 /nfs/dbraw/zinc/36/52/98/599365298.db2.gz MPFDCTFRYNEXNE-JTQLQIEISA-N -1 3 349.316 3.938 20 0 EHADHM C[C@H](Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820455726 599365301 /nfs/dbraw/zinc/36/53/01/599365301.db2.gz MPFDCTFRYNEXNE-JTQLQIEISA-N -1 3 349.316 3.938 20 0 EHADHM Fc1ccc2c(c1)[C@H](Nc1cc(Cl)ccc1-c1nnn[n-]1)CC2 ZINC000737664179 599432559 /nfs/dbraw/zinc/43/25/59/599432559.db2.gz CXVJONVZSUWNGF-CQSZACIVSA-N -1 3 329.766 3.759 20 0 EHADHM Fc1ccc2c(c1)[C@H](Nc1cc(Cl)ccc1-c1nn[n-]n1)CC2 ZINC000737664179 599432560 /nfs/dbraw/zinc/43/25/60/599432560.db2.gz CXVJONVZSUWNGF-CQSZACIVSA-N -1 3 329.766 3.759 20 0 EHADHM c1oc2ccccc2c1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000738432570 599439233 /nfs/dbraw/zinc/43/92/33/599439233.db2.gz HJXGIORYIHTLCF-UHFFFAOYSA-N -1 3 342.362 3.773 20 0 EHADHM c1oc2ccccc2c1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000738432570 599439237 /nfs/dbraw/zinc/43/92/37/599439237.db2.gz HJXGIORYIHTLCF-UHFFFAOYSA-N -1 3 342.362 3.773 20 0 EHADHM Cc1ccc([C@H]2CCCN2c2cc(-c3nnn[n-]3)c3ccccc3n2)o1 ZINC000737330368 599441791 /nfs/dbraw/zinc/44/17/91/599441791.db2.gz JFBKERUUEMHKJG-MRXNPFEDSA-N -1 3 346.394 3.658 20 0 EHADHM Cc1ccc([C@H]2CCCN2c2cc(-c3nn[n-]n3)c3ccccc3n2)o1 ZINC000737330368 599441794 /nfs/dbraw/zinc/44/17/94/599441794.db2.gz JFBKERUUEMHKJG-MRXNPFEDSA-N -1 3 346.394 3.658 20 0 EHADHM C[C@@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1OC(F)F ZINC000820457128 599468829 /nfs/dbraw/zinc/46/88/29/599468829.db2.gz YDRIPBZSFIIYSQ-SECBINFHSA-N -1 3 349.316 3.780 20 0 EHADHM C[C@@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1OC(F)F ZINC000820457128 599468832 /nfs/dbraw/zinc/46/88/32/599468832.db2.gz YDRIPBZSFIIYSQ-SECBINFHSA-N -1 3 349.316 3.780 20 0 EHADHM CCC1CCN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CC1 ZINC000736406821 599520306 /nfs/dbraw/zinc/52/03/06/599520306.db2.gz CSYVVEWRJIPWJG-UHFFFAOYSA-N -1 3 325.338 3.512 20 0 EHADHM CC1(C)CCN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CC1 ZINC000736212118 599524005 /nfs/dbraw/zinc/52/40/05/599524005.db2.gz YXLXQGSGVCZYRS-UHFFFAOYSA-N -1 3 325.338 3.512 20 0 EHADHM O=C([O-])c1ccc(CNCc2cc(Cl)cc3cccnc32)cc1 ZINC000426691941 599841378 /nfs/dbraw/zinc/84/13/78/599841378.db2.gz NAEDCVYMDREKQE-UHFFFAOYSA-N -1 3 326.783 3.876 20 0 EHADHM C[C@H]1CN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CCS1 ZINC000137217887 600102638 /nfs/dbraw/zinc/10/26/38/600102638.db2.gz TUUAMRWAIFXODQ-VIFPVBQESA-N -1 3 325.430 3.676 20 0 EHADHM CC[C@@](NCc1ccccc1OC(C)C)(C(=O)[O-])c1ccccc1 ZINC000736919994 600130601 /nfs/dbraw/zinc/13/06/01/600130601.db2.gz FXZWMRDEIFTFSE-FQEVSTJZSA-N 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/nfs/dbraw/zinc/44/08/80/600440880.db2.gz JRMXUUVFAIEQRF-KRWDZBQOSA-N -1 3 341.382 3.619 20 0 EHADHM CCCC[C@H](COC)N[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000829286927 600751344 /nfs/dbraw/zinc/75/13/44/600751344.db2.gz XMBDXOZHOKTCRE-RISCZKNCSA-N -1 3 334.243 3.914 20 0 EHADHM CO[C@@H](CN[C@H](C(=O)[O-])c1ccccc1F)c1ccc(Cl)cc1 ZINC000831519327 600755234 /nfs/dbraw/zinc/75/52/34/600755234.db2.gz MHOJTLIJGVLEIJ-HOTGVXAUSA-N -1 3 337.778 3.582 20 0 EHADHM CN(C)c1ccccc1CN(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000565105793 600829029 /nfs/dbraw/zinc/82/90/29/600829029.db2.gz NQSRTGQGPUTMGG-UHFFFAOYSA-N -1 3 348.393 3.508 20 0 EHADHM CC(C)(C)n1ncc2c1CCC[C@@H]2N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736310895 601102322 /nfs/dbraw/zinc/10/23/22/601102322.db2.gz ZBUGHGKMEKGMNF-DOTOQJQBSA-N -1 3 345.418 3.570 20 0 EHADHM O=C([O-])c1ccc(CN2CCC[C@H]2CC(=O)c2cccs2)cc1 ZINC000833313443 601200806 /nfs/dbraw/zinc/20/08/06/601200806.db2.gz UQZCGUQOSFMSPU-HNNXBMFYSA-N -1 3 329.421 3.684 20 0 EHADHM CN(CCOCC1CC1)Cc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000321274439 601548480 /nfs/dbraw/zinc/54/84/80/601548480.db2.gz CDUXJWUHLUFYOJ-UHFFFAOYSA-N -1 3 337.416 3.597 20 0 EHADHM COc1ccc([C@@H](NCc2ccc(C(=O)[O-])c(F)c2)C2CC2)cc1 ZINC000832252120 601616254 /nfs/dbraw/zinc/61/62/54/601616254.db2.gz HBTIUSFBIGJBHH-SFHVURJKSA-N -1 3 329.371 3.773 20 0 EHADHM COCCN(Cc1cc(C(=O)[O-])sc1C)[C@H](C)c1ccccc1 ZINC000831734808 601623412 /nfs/dbraw/zinc/62/34/12/601623412.db2.gz BIABGAQQGNYRLI-CYBMUJFWSA-N -1 3 333.453 3.964 20 0 EHADHM c1csc(-c2ccc(NCc3cc(-c4nnn[n-]4)cs3)cc2)n1 ZINC000826525949 607518931 /nfs/dbraw/zinc/51/89/31/607518931.db2.gz FTPZSDRKKPQXTF-UHFFFAOYSA-N -1 3 340.437 3.664 20 0 EHADHM c1csc(-c2ccc(NCc3cc(-c4nn[n-]n4)cs3)cc2)n1 ZINC000826525949 607518932 /nfs/dbraw/zinc/51/89/32/607518932.db2.gz FTPZSDRKKPQXTF-UHFFFAOYSA-N -1 3 340.437 3.664 20 0 EHADHM O=C([O-])c1sccc1CN(Cc1ccccc1)C[C@H]1CCCO1 ZINC000584177677 601809592 /nfs/dbraw/zinc/80/95/92/601809592.db2.gz JFLBTTSMLTYYLM-MRXNPFEDSA-N -1 3 331.437 3.628 20 0 EHADHM Cc1ccccc1Nc1nc(CN[C@@H](C(=O)[O-])C(C)(C)C)cs1 ZINC000832979835 601872618 /nfs/dbraw/zinc/87/26/18/601872618.db2.gz VYVZBRJPGIEKFL-AWEZNQCLSA-N -1 3 333.457 3.784 20 0 EHADHM C/C(=C\CN1CC=C(c2ccccc2C(F)(F)F)CC1)C(=O)[O-] ZINC000825733688 602056182 /nfs/dbraw/zinc/05/61/82/602056182.db2.gz DHMRBHQZSWXSCH-WUXMJOGZSA-N -1 3 325.330 3.825 20 0 EHADHM CCc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2cc(OC)cc(OC)c2)cc1 ZINC000830237382 602163567 /nfs/dbraw/zinc/16/35/67/602163567.db2.gz JNDLVPOSKVRZCB-YJYMSZOUSA-N -1 3 343.423 3.743 20 0 EHADHM CC[C@@](C)(CC(=O)[O-])NCc1csc(Nc2ccccc2C)n1 ZINC000828671953 602222289 /nfs/dbraw/zinc/22/22/89/602222289.db2.gz IYKKZDIZSJJKCR-KRWDZBQOSA-N -1 3 333.457 3.928 20 0 EHADHM C[C@@H](NC(=O)[O-])C1CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000739014830 602448044 /nfs/dbraw/zinc/44/80/44/602448044.db2.gz KSGUIPYKPCRRBC-GFCCVEGCSA-N -1 3 347.846 3.756 20 0 EHADHM C[C@@H](NCc1ccc(NC(=O)[O-])nc1)c1ccc(OC(F)F)cc1 ZINC000825501106 603535146 /nfs/dbraw/zinc/53/51/46/603535146.db2.gz BSZUGYMVVZXSLO-SNVBAGLBSA-N -1 3 337.326 3.624 20 0 EHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000826249566 607646372 /nfs/dbraw/zinc/64/63/72/607646372.db2.gz JIYONSXQDYSRPO-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000826249566 607646375 /nfs/dbraw/zinc/64/63/75/607646375.db2.gz JIYONSXQDYSRPO-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM CCOc1ccc(Cl)cc1[C@H](C)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000830080263 604287880 /nfs/dbraw/zinc/28/78/80/604287880.db2.gz HKIRAAQKVMCMLN-WCQYABFASA-N -1 3 326.824 3.532 20 0 EHADHM C[C@H](NC(=O)[O-])c1ccc(CN[C@@H]2CCc3ccc(F)cc32)cc1 ZINC000825397852 604303725 /nfs/dbraw/zinc/30/37/25/604303725.db2.gz QXQPFEQCXFERTL-KPZWWZAWSA-N -1 3 328.387 3.931 20 0 EHADHM C[C@@H](NC(=O)C=C1CCC(C)(C)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824478844 607693218 /nfs/dbraw/zinc/69/32/18/607693218.db2.gz JCJAGLDWPNEZMC-CYBMUJFWSA-N -1 3 339.443 3.571 20 0 EHADHM C[C@@H](NC(=O)C=C1CCC(C)(C)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824478844 607693220 /nfs/dbraw/zinc/69/32/20/607693220.db2.gz JCJAGLDWPNEZMC-CYBMUJFWSA-N -1 3 339.443 3.571 20 0 EHADHM C[C@H](Oc1ccc(CN2Cc3ccccc3[C@@H](C)C2)cc1)C(=O)[O-] ZINC000833540500 604519635 /nfs/dbraw/zinc/51/96/35/604519635.db2.gz LENXNZLEHQCMGG-GJZGRUSLSA-N -1 3 325.408 3.658 20 0 EHADHM C[C@@H](Oc1ccc(CN2CCCc3sccc3C2)cc1)C(=O)[O-] ZINC000833543645 604636198 /nfs/dbraw/zinc/63/61/98/604636198.db2.gz UJLMTODNVAJABO-CYBMUJFWSA-N -1 3 331.437 3.548 20 0 EHADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCCCCC(F)(F)F)n1 ZINC000826263244 607708817 /nfs/dbraw/zinc/70/88/17/607708817.db2.gz REFDOXNFNPWYTL-UHFFFAOYSA-N -1 3 331.367 3.703 20 0 EHADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCCCCC(F)(F)F)n1 ZINC000826263244 607708819 /nfs/dbraw/zinc/70/88/19/607708819.db2.gz REFDOXNFNPWYTL-UHFFFAOYSA-N -1 3 331.367 3.703 20 0 EHADHM C[C@@]1(NCc2nnc(-c3ccc(Cl)cc3)o2)CCCC[C@H]1C(=O)[O-] ZINC000833570942 604819286 /nfs/dbraw/zinc/81/92/86/604819286.db2.gz WQQSOIYGFKOZBY-SUMWQHHRSA-N -1 3 349.818 3.513 20 0 EHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000392707047 604950028 /nfs/dbraw/zinc/95/00/28/604950028.db2.gz XVOGKMZYCOLMAG-CQSZACIVSA-N -1 3 346.402 3.804 20 0 EHADHM C[C@@H](NC(=O)[O-])c1ccc(CN[C@H]2CCc3cc(F)ccc32)cc1 ZINC000825398117 605117988 /nfs/dbraw/zinc/11/79/88/605117988.db2.gz UEKREQOULKYZKF-XIKOKIGWSA-N -1 3 328.387 3.931 20 0 EHADHM CCc1oc(C(=O)[O-])cc1CN[C@H](C)c1ccccc1-n1cccn1 ZINC000833680001 605136229 /nfs/dbraw/zinc/13/62/29/605136229.db2.gz AMZDWISNAJATGQ-CYBMUJFWSA-N -1 3 339.395 3.577 20 0 EHADHM O=C([O-])[C@@H]1CC12CCN(Cc1c(Cl)cccc1N1CCCC1)CC2 ZINC000833771501 605243891 /nfs/dbraw/zinc/24/38/91/605243891.db2.gz HSONUASPYCHOIF-HNNXBMFYSA-N -1 3 348.874 3.627 20 0 EHADHM O=C([O-])N[C@@H]1C[C@H](N[C@@H]2CCc3c2cccc3F)c2ccccc21 ZINC000834158193 605797502 /nfs/dbraw/zinc/79/75/02/605797502.db2.gz KPYMDTBJQVFOLG-FGTMMUONSA-N -1 3 326.371 3.856 20 0 EHADHM O=C([O-])NCCc1ccc(CN[C@@H]2CCc3c2cc(F)cc3F)cc1 ZINC000834245427 605955744 /nfs/dbraw/zinc/95/57/44/605955744.db2.gz QXPYUXWPNATTKD-GOSISDBHSA-N -1 3 346.377 3.552 20 0 EHADHM CCCCc1nc(CSc2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000821077849 606018912 /nfs/dbraw/zinc/01/89/12/606018912.db2.gz WDNLXIKSMLEWFS-UHFFFAOYSA-N -1 3 331.470 3.958 20 0 EHADHM CCCCc1nc(CSc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821077849 606018915 /nfs/dbraw/zinc/01/89/15/606018915.db2.gz WDNLXIKSMLEWFS-UHFFFAOYSA-N -1 3 331.470 3.958 20 0 EHADHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1Cl ZINC000820427859 606223936 /nfs/dbraw/zinc/22/39/36/606223936.db2.gz VMLSWJAWTUDGLN-JTQLQIEISA-N -1 3 331.782 3.510 20 0 EHADHM C[C@@H](OC(=O)C(C)(C)c1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820480188 606339777 /nfs/dbraw/zinc/33/97/77/606339777.db2.gz GIDPTHPYUOENOX-LLVKDONJSA-N -1 3 342.424 3.510 20 0 EHADHM C[C@@H](OC(=O)C(C)(C)c1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820480188 606339778 /nfs/dbraw/zinc/33/97/78/606339778.db2.gz GIDPTHPYUOENOX-LLVKDONJSA-N -1 3 342.424 3.510 20 0 EHADHM C[C@H](OC(=O)C[C@@H]1CCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488353 606342132 /nfs/dbraw/zinc/34/21/32/606342132.db2.gz MYFUKZQKUNRZCQ-GUYCJALGSA-N -1 3 348.406 3.591 20 0 EHADHM C[C@H](OC(=O)C[C@@H]1CCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488353 606342134 /nfs/dbraw/zinc/34/21/34/606342134.db2.gz MYFUKZQKUNRZCQ-GUYCJALGSA-N -1 3 348.406 3.591 20 0 EHADHM C[C@@H]1c2ccsc2CCN1c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820827655 606443033 /nfs/dbraw/zinc/44/30/33/606443033.db2.gz VMPZTYOQNUDACZ-SECBINFHSA-N -1 3 331.832 3.705 20 0 EHADHM C[C@@H]1c2ccsc2CCN1c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820827655 606443035 /nfs/dbraw/zinc/44/30/35/606443035.db2.gz VMPZTYOQNUDACZ-SECBINFHSA-N -1 3 331.832 3.705 20 0 EHADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1ccccc1C(F)(F)F ZINC000822761219 606444247 /nfs/dbraw/zinc/44/42/47/606444247.db2.gz CMFSCOHBCOUZCE-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1ccccc1C(F)(F)F ZINC000822761219 606444248 /nfs/dbraw/zinc/44/42/48/606444248.db2.gz CMFSCOHBCOUZCE-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM CCN(C(=O)[C@H](C)C1CCCC1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149122 606531222 /nfs/dbraw/zinc/53/12/22/606531222.db2.gz SEKRZZIMALJHMK-ZIAGYGMSSA-N -1 3 341.459 3.603 20 0 EHADHM CCN(C(=O)[C@H](C)C1CCCC1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149122 606531224 /nfs/dbraw/zinc/53/12/24/606531224.db2.gz SEKRZZIMALJHMK-ZIAGYGMSSA-N -1 3 341.459 3.603 20 0 EHADHM CC1CC(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCCC3)C1 ZINC000820650890 606621853 /nfs/dbraw/zinc/62/18/53/606621853.db2.gz YCNMKPCYTGMUIZ-UHFFFAOYSA-N -1 3 345.472 3.572 20 0 EHADHM CC1CC(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)C1 ZINC000820650890 606621854 /nfs/dbraw/zinc/62/18/54/606621854.db2.gz YCNMKPCYTGMUIZ-UHFFFAOYSA-N -1 3 345.472 3.572 20 0 EHADHM COCCC1(CNc2c(Cl)cccc2-c2nnn[n-]2)CCCC1 ZINC000821687099 606720910 /nfs/dbraw/zinc/72/09/10/606720910.db2.gz OJWUKXMIKLMSKR-UHFFFAOYSA-N -1 3 335.839 3.529 20 0 EHADHM COCCC1(CNc2c(Cl)cccc2-c2nn[n-]n2)CCCC1 ZINC000821687099 606720911 /nfs/dbraw/zinc/72/09/11/606720911.db2.gz OJWUKXMIKLMSKR-UHFFFAOYSA-N -1 3 335.839 3.529 20 0 EHADHM COCCC1(CNc2ccc(Cl)cc2-c2nnn[n-]2)CCCC1 ZINC000821687086 606721370 /nfs/dbraw/zinc/72/13/70/606721370.db2.gz NXSVWYQIXMSOIW-UHFFFAOYSA-N -1 3 335.839 3.529 20 0 EHADHM COCCC1(CNc2ccc(Cl)cc2-c2nn[n-]n2)CCCC1 ZINC000821687086 606721372 /nfs/dbraw/zinc/72/13/72/606721372.db2.gz NXSVWYQIXMSOIW-UHFFFAOYSA-N -1 3 335.839 3.529 20 0 EHADHM C[C@@H](CC1CCCC1)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820235935 606962419 /nfs/dbraw/zinc/96/24/19/606962419.db2.gz VITMOPYOCUKZNK-NSHDSACASA-N -1 3 347.850 3.699 20 0 EHADHM C[C@@H](CC1CCCC1)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820235935 606962420 /nfs/dbraw/zinc/96/24/20/606962420.db2.gz VITMOPYOCUKZNK-NSHDSACASA-N -1 3 347.850 3.699 20 0 EHADHM C[C@H]1CCCC[C@H]1CC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820698213 606964093 /nfs/dbraw/zinc/96/40/93/606964093.db2.gz RFTKHTMRUKGJNQ-RYUDHWBXSA-N -1 3 347.850 3.699 20 0 EHADHM C[C@H]1CCCC[C@H]1CC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820698213 606964096 /nfs/dbraw/zinc/96/40/96/606964096.db2.gz RFTKHTMRUKGJNQ-RYUDHWBXSA-N -1 3 347.850 3.699 20 0 EHADHM CC(C)[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccccc1 ZINC000820033835 607014619 /nfs/dbraw/zinc/01/46/19/607014619.db2.gz YMTZBLFZIVQRFE-KRWDZBQOSA-N -1 3 338.436 3.866 20 0 EHADHM CC(C)[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccccc1 ZINC000820033835 607014620 /nfs/dbraw/zinc/01/46/20/607014620.db2.gz YMTZBLFZIVQRFE-KRWDZBQOSA-N -1 3 338.436 3.866 20 0 EHADHM Cc1cc(C(=O)CSc2cccc(-c3nnn[n-]3)c2)cc(C)c1F ZINC000822167433 607015539 /nfs/dbraw/zinc/01/55/39/607015539.db2.gz FAWGQSTXUYTGFX-UHFFFAOYSA-N -1 3 342.399 3.598 20 0 EHADHM Cc1cc(C(=O)CSc2cccc(-c3nn[n-]n3)c2)cc(C)c1F ZINC000822167433 607015540 /nfs/dbraw/zinc/01/55/40/607015540.db2.gz FAWGQSTXUYTGFX-UHFFFAOYSA-N -1 3 342.399 3.598 20 0 EHADHM CCOc1cc(Cl)ccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821395513 607033220 /nfs/dbraw/zinc/03/32/20/607033220.db2.gz YXBQHVYZPOFAQN-UHFFFAOYSA-N -1 3 347.781 3.670 20 0 EHADHM CCOc1cc(Cl)ccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821395513 607033221 /nfs/dbraw/zinc/03/32/21/607033221.db2.gz YXBQHVYZPOFAQN-UHFFFAOYSA-N -1 3 347.781 3.670 20 0 EHADHM C[C@@H]1CC[C@@H](CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)C1 ZINC000820684569 607052194 /nfs/dbraw/zinc/05/21/94/607052194.db2.gz RIQVMAWXUVFZOS-GHMZBOCLSA-N -1 3 345.472 3.572 20 0 EHADHM C[C@@H]1CC[C@@H](CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C1 ZINC000820684569 607052197 /nfs/dbraw/zinc/05/21/97/607052197.db2.gz RIQVMAWXUVFZOS-GHMZBOCLSA-N -1 3 345.472 3.572 20 0 EHADHM COc1cccc2c1CC[C@@H]2Nc1c(Cl)cccc1-c1nnn[n-]1 ZINC000821877164 607119124 /nfs/dbraw/zinc/11/91/24/607119124.db2.gz DDQBTHOIUUNBBJ-AWEZNQCLSA-N -1 3 341.802 3.628 20 0 EHADHM COc1cccc2c1CC[C@@H]2Nc1c(Cl)cccc1-c1nn[n-]n1 ZINC000821877164 607119126 /nfs/dbraw/zinc/11/91/26/607119126.db2.gz DDQBTHOIUUNBBJ-AWEZNQCLSA-N -1 3 341.802 3.628 20 0 EHADHM Clc1cc(N[C@H]2CCOC3(CCCCC3)C2)ccc1-c1nnn[n-]1 ZINC000822568490 607130527 /nfs/dbraw/zinc/13/05/27/607130527.db2.gz SMHWDRAZSGFGBR-ZDUSSCGKSA-N -1 3 347.850 3.814 20 0 EHADHM Clc1cc(N[C@H]2CCOC3(CCCCC3)C2)ccc1-c1nn[n-]n1 ZINC000822568490 607130528 /nfs/dbraw/zinc/13/05/28/607130528.db2.gz SMHWDRAZSGFGBR-ZDUSSCGKSA-N -1 3 347.850 3.814 20 0 EHADHM FC(F)(F)c1cc(N[C@H]2CCCC(F)(F)C2)ccc1-c1nnn[n-]1 ZINC000822736599 607131228 /nfs/dbraw/zinc/13/12/28/607131228.db2.gz HWDJKHAOBZBLQU-VIFPVBQESA-N -1 3 347.291 3.875 20 0 EHADHM FC(F)(F)c1cc(N[C@H]2CCCC(F)(F)C2)ccc1-c1nn[n-]n1 ZINC000822736599 607131230 /nfs/dbraw/zinc/13/12/30/607131230.db2.gz HWDJKHAOBZBLQU-VIFPVBQESA-N -1 3 347.291 3.875 20 0 EHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc2ccccc21 ZINC000823318672 607190365 /nfs/dbraw/zinc/19/03/65/607190365.db2.gz HEPYIOXXCMNZPZ-UHFFFAOYSA-N -1 3 349.781 3.926 20 0 EHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc2ccccc21 ZINC000823318672 607190366 /nfs/dbraw/zinc/19/03/66/607190366.db2.gz HEPYIOXXCMNZPZ-UHFFFAOYSA-N -1 3 349.781 3.926 20 0 EHADHM C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820697173 607241275 /nfs/dbraw/zinc/24/12/75/607241275.db2.gz FNPOKEAQRYQPCD-MNOVXSKESA-N -1 3 333.823 3.675 20 0 EHADHM C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820697173 607241276 /nfs/dbraw/zinc/24/12/76/607241276.db2.gz FNPOKEAQRYQPCD-MNOVXSKESA-N -1 3 333.823 3.675 20 0 EHADHM Cc1c(NC(=S)Nc2ccccc2Cl)cccc1-c1nnn[n-]1 ZINC000822115964 607251869 /nfs/dbraw/zinc/25/18/69/607251869.db2.gz JSKSWVIGBAHMEC-UHFFFAOYSA-N -1 3 344.831 3.637 20 0 EHADHM Cc1c(NC(=S)Nc2ccccc2Cl)cccc1-c1nn[n-]n1 ZINC000822115964 607251870 /nfs/dbraw/zinc/25/18/70/607251870.db2.gz JSKSWVIGBAHMEC-UHFFFAOYSA-N -1 3 344.831 3.637 20 0 EHADHM CCc1ccc([C@@H](C)CC(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1 ZINC000825704951 607789624 /nfs/dbraw/zinc/78/96/24/607789624.db2.gz RJYMKKLGKFLNER-AWEZNQCLSA-N -1 3 349.438 3.586 20 0 EHADHM CCc1ccc([C@@H](C)CC(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1 ZINC000825704951 607789625 /nfs/dbraw/zinc/78/96/25/607789625.db2.gz RJYMKKLGKFLNER-AWEZNQCLSA-N -1 3 349.438 3.586 20 0 EHADHM CCN(C(=O)c1ccc(CC(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380536 607795750 /nfs/dbraw/zinc/79/57/50/607795750.db2.gz QHEBUPUBHUVSRG-UHFFFAOYSA-N -1 3 349.438 3.732 20 0 EHADHM CCN(C(=O)c1ccc(CC(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380536 607795751 /nfs/dbraw/zinc/79/57/51/607795751.db2.gz QHEBUPUBHUVSRG-UHFFFAOYSA-N -1 3 349.438 3.732 20 0 EHADHM COc1ccccc1CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826220440 607845657 /nfs/dbraw/zinc/84/56/57/607845657.db2.gz NZWCDPKXMKICRV-UHFFFAOYSA-N -1 3 332.816 3.821 20 0 EHADHM COc1ccccc1CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826220440 607845658 /nfs/dbraw/zinc/84/56/58/607845658.db2.gz NZWCDPKXMKICRV-UHFFFAOYSA-N -1 3 332.816 3.821 20 0 EHADHM Fc1ccc2oc(C(Cl)=Cc3ccccc3-c3nnn[n-]3)nc2c1 ZINC000826376003 607885433 /nfs/dbraw/zinc/88/54/33/607885433.db2.gz KMROUEPLMMBZFU-KPKJPENVSA-N -1 3 341.733 3.884 20 0 EHADHM Fc1ccc2oc(C(Cl)=Cc3ccccc3-c3nn[n-]n3)nc2c1 ZINC000826376003 607885434 /nfs/dbraw/zinc/88/54/34/607885434.db2.gz KMROUEPLMMBZFU-KPKJPENVSA-N -1 3 341.733 3.884 20 0 EHADHM C[C@@H](NC(=O)C[C@@H]1CCCC(C)(C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000824480056 607905810 /nfs/dbraw/zinc/90/58/10/607905810.db2.gz SBHBAJPSXQWIBV-KGLIPLIRSA-N -1 3 341.459 3.650 20 0 EHADHM C[C@@H](NC(=O)C[C@@H]1CCCC(C)(C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824480056 607905811 /nfs/dbraw/zinc/90/58/11/607905811.db2.gz SBHBAJPSXQWIBV-KGLIPLIRSA-N -1 3 341.459 3.650 20 0 EHADHM Cc1c(NC(=O)N2CCCC23CCCCC3)cccc1-c1nnn[n-]1 ZINC000826241821 608008100 /nfs/dbraw/zinc/00/81/00/608008100.db2.gz PXFLQOHQTPSDBY-UHFFFAOYSA-N -1 3 340.431 3.506 20 0 EHADHM Cc1c(NC(=O)N2CCCC23CCCCC3)cccc1-c1nn[n-]n1 ZINC000826241821 608008101 /nfs/dbraw/zinc/00/81/01/608008101.db2.gz PXFLQOHQTPSDBY-UHFFFAOYSA-N -1 3 340.431 3.506 20 0 EHADHM CCC(CC)[C@H](C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000825096745 608058338 /nfs/dbraw/zinc/05/83/38/608058338.db2.gz QGNZCOURDKLFKX-LBPRGKRZSA-N -1 3 345.447 3.665 20 0 EHADHM CCC(CC)[C@H](C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000825096745 608058339 /nfs/dbraw/zinc/05/83/39/608058339.db2.gz QGNZCOURDKLFKX-LBPRGKRZSA-N -1 3 345.447 3.665 20 0 EHADHM CCC(CC)[C@H](C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000825096965 608059608 /nfs/dbraw/zinc/05/96/08/608059608.db2.gz RMLLKGQAWYNXGC-AWEZNQCLSA-N -1 3 343.475 3.676 20 0 EHADHM CCC(CC)[C@H](C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000825096965 608059609 /nfs/dbraw/zinc/05/96/09/608059609.db2.gz RMLLKGQAWYNXGC-AWEZNQCLSA-N -1 3 343.475 3.676 20 0 EHADHM c1sc(CNc2ccccc2N2CCCCC2)cc1-c1nnn[n-]1 ZINC000826522086 608112690 /nfs/dbraw/zinc/11/26/90/608112690.db2.gz LQCNKAQWJNPPCM-UHFFFAOYSA-N -1 3 340.456 3.531 20 0 EHADHM c1sc(CNc2ccccc2N2CCCCC2)cc1-c1nn[n-]n1 ZINC000826522086 608112691 /nfs/dbraw/zinc/11/26/91/608112691.db2.gz LQCNKAQWJNPPCM-UHFFFAOYSA-N -1 3 340.456 3.531 20 0 EHADHM C[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)c1nc(C2CC2)no1 ZINC000824757587 608206948 /nfs/dbraw/zinc/20/69/48/608206948.db2.gz YBNDTZNOTYRKQM-SSDOTTSWSA-N -1 3 348.819 3.634 20 0 EHADHM C[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)c1nc(C2CC2)no1 ZINC000824757587 608206949 /nfs/dbraw/zinc/20/69/49/608206949.db2.gz YBNDTZNOTYRKQM-SSDOTTSWSA-N -1 3 348.819 3.634 20 0 EHADHM Cc1ccc([C@@H]2CCCN2c2ccc3cc(-c4nnn[n-]4)ccc3n2)o1 ZINC000826286070 608229216 /nfs/dbraw/zinc/22/92/16/608229216.db2.gz RJNKBOIOJKDHPW-INIZCTEOSA-N -1 3 346.394 3.658 20 0 EHADHM Cc1ccc([C@@H]2CCCN2c2ccc3cc(-c4nn[n-]n4)ccc3n2)o1 ZINC000826286070 608229218 /nfs/dbraw/zinc/22/92/18/608229218.db2.gz RJNKBOIOJKDHPW-INIZCTEOSA-N -1 3 346.394 3.658 20 0 EHADHM Fc1cccnc1NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826378608 608295466 /nfs/dbraw/zinc/29/54/66/608295466.db2.gz SEQDWCXQTYPMNR-UHFFFAOYSA-N -1 3 346.369 3.680 20 0 EHADHM Fc1cccnc1NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826378608 608295467 /nfs/dbraw/zinc/29/54/67/608295467.db2.gz SEQDWCXQTYPMNR-UHFFFAOYSA-N -1 3 346.369 3.680 20 0 EHADHM Nc1ccc(SCc2ccc(F)c(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000826396308 608401924 /nfs/dbraw/zinc/40/19/24/608401924.db2.gz RBNUOUDWTBRNMW-UHFFFAOYSA-N -1 3 335.795 3.534 20 0 EHADHM Nc1ccc(SCc2ccc(F)c(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000826396308 608401926 /nfs/dbraw/zinc/40/19/26/608401926.db2.gz RBNUOUDWTBRNMW-UHFFFAOYSA-N -1 3 335.795 3.534 20 0 EHADHM C[C@@H](c1ccccc1Cl)N(Cc1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC000824770095 608518460 /nfs/dbraw/zinc/51/84/60/608518460.db2.gz DPSFOBPARXFUQJ-NSHDSACASA-N -1 3 343.818 3.839 20 0 EHADHM C[C@@H](c1ccccc1Cl)N(Cc1ccc(-c2nn[n-]n2)o1)C1CC1 ZINC000824770095 608518461 /nfs/dbraw/zinc/51/84/61/608518461.db2.gz DPSFOBPARXFUQJ-NSHDSACASA-N -1 3 343.818 3.839 20 0 EHADHM c1sc(CNc2cccc(-c3nnn[n-]3)c2)nc1-c1ccccc1 ZINC000378898688 608867607 /nfs/dbraw/zinc/86/76/07/608867607.db2.gz BGSQKDQRNCXBSS-UHFFFAOYSA-N -1 3 334.408 3.602 20 0 EHADHM c1sc(CNc2cccc(-c3nn[n-]n3)c2)nc1-c1ccccc1 ZINC000378898688 608867608 /nfs/dbraw/zinc/86/76/08/608867608.db2.gz BGSQKDQRNCXBSS-UHFFFAOYSA-N -1 3 334.408 3.602 20 0 EHADHM COc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1Cl ZINC000826210055 609161341 /nfs/dbraw/zinc/16/13/41/609161341.db2.gz CDRTXYAPNCPPCB-SECBINFHSA-N -1 3 347.781 3.841 20 0 EHADHM COc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1Cl ZINC000826210055 609161342 /nfs/dbraw/zinc/16/13/42/609161342.db2.gz CDRTXYAPNCPPCB-SECBINFHSA-N -1 3 347.781 3.841 20 0 EHADHM CCCOc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000825342679 609252925 /nfs/dbraw/zinc/25/29/25/609252925.db2.gz WDYLTANBFWSONN-GFCCVEGCSA-N -1 3 341.390 3.968 20 0 EHADHM CCCOc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000825342679 609252927 /nfs/dbraw/zinc/25/29/27/609252927.db2.gz WDYLTANBFWSONN-GFCCVEGCSA-N -1 3 341.390 3.968 20 0 EHADHM C[C@@H](Nc1ccc2c(c1)OC(C)(C)O2)c1cccc(-c2nnn[n-]2)c1 ZINC000824657155 609274400 /nfs/dbraw/zinc/27/44/00/609274400.db2.gz PCCSIWLDFWIYOY-LLVKDONJSA-N -1 3 337.383 3.547 20 0 EHADHM C[C@@H](Nc1ccc2c(c1)OC(C)(C)O2)c1cccc(-c2nn[n-]n2)c1 ZINC000824657155 609274402 /nfs/dbraw/zinc/27/44/02/609274402.db2.gz PCCSIWLDFWIYOY-LLVKDONJSA-N -1 3 337.383 3.547 20 0 EHADHM Clc1ccc2cccnc2c1CNc1cccc(-c2nnn[n-]2)c1 ZINC000826352496 609354829 /nfs/dbraw/zinc/35/48/29/609354829.db2.gz CQVIHTPDSBZGPR-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM Clc1ccc2cccnc2c1CNc1cccc(-c2nn[n-]n2)c1 ZINC000826352496 609354832 /nfs/dbraw/zinc/35/48/32/609354832.db2.gz CQVIHTPDSBZGPR-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N[C@@H]1CCCc2ccccc21 ZINC000824019589 609419940 /nfs/dbraw/zinc/41/99/40/609419940.db2.gz HJEYSGLUADZADH-QGZVFWFLSA-N -1 3 333.395 3.559 20 0 EHADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N[C@@H]1CCCc2ccccc21 ZINC000824019589 609419942 /nfs/dbraw/zinc/41/99/42/609419942.db2.gz HJEYSGLUADZADH-QGZVFWFLSA-N -1 3 333.395 3.559 20 0 EHADHM CC(=Cc1ccc(C)cc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000823944149 609449723 /nfs/dbraw/zinc/44/97/23/609449723.db2.gz YUTQOWCBUXUMDK-UVTDQMKNSA-N -1 3 333.395 3.526 20 0 EHADHM CC(=Cc1ccc(C)cc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000823944149 609449724 /nfs/dbraw/zinc/44/97/24/609449724.db2.gz YUTQOWCBUXUMDK-UVTDQMKNSA-N -1 3 333.395 3.526 20 0 EHADHM Cc1ccnc(N[C@@H](c2ccc(F)cc2)C(C)C)c1-c1nnn[n-]1 ZINC000826311621 609525646 /nfs/dbraw/zinc/52/56/46/609525646.db2.gz JMCBZZADHUZAPM-OAHLLOKOSA-N -1 3 326.379 3.518 20 0 EHADHM Cc1ccnc(N[C@@H](c2ccc(F)cc2)C(C)C)c1-c1nn[n-]n1 ZINC000826311621 609525649 /nfs/dbraw/zinc/52/56/49/609525649.db2.gz JMCBZZADHUZAPM-OAHLLOKOSA-N -1 3 326.379 3.518 20 0 EHADHM Cc1nc2c(s1)[C@H](Nc1ccc(-c3nnn[n-]3)c(Cl)c1)CCC2 ZINC000826328678 609565951 /nfs/dbraw/zinc/56/59/51/609565951.db2.gz ZAZKOCRRXKMTKN-CYBMUJFWSA-N -1 3 346.847 3.775 20 0 EHADHM Cc1nc2c(s1)[C@H](Nc1ccc(-c3nn[n-]n3)c(Cl)c1)CCC2 ZINC000826328678 609565955 /nfs/dbraw/zinc/56/59/55/609565955.db2.gz ZAZKOCRRXKMTKN-CYBMUJFWSA-N -1 3 346.847 3.775 20 0 EHADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)CCCCC(C)(C)C ZINC001573551477 946871269 /nfs/dbraw/zinc/87/12/69/946871269.db2.gz JFEVWAAPYHUMHK-UHFFFAOYSA-N -1 3 343.431 3.614 20 0 EHADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)CCCCC(C)(C)C ZINC001573551477 946871279 /nfs/dbraw/zinc/87/12/79/946871279.db2.gz JFEVWAAPYHUMHK-UHFFFAOYSA-N -1 3 343.431 3.614 20 0 EHADHM C[C@H]1CCC[C@H]1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000824928826 946996346 /nfs/dbraw/zinc/99/63/46/946996346.db2.gz VABIGZTYXXYRJA-WDEREUQCSA-N -1 3 345.472 3.572 20 0 EHADHM C[C@H]1CCC[C@H]1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000824928826 946996350 /nfs/dbraw/zinc/99/63/50/946996350.db2.gz VABIGZTYXXYRJA-WDEREUQCSA-N -1 3 345.472 3.572 20 0 EHADHM CC(C)c1ccc(NC(=O)CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000326987191 971353313 /nfs/dbraw/zinc/35/33/13/971353313.db2.gz SBZOXBNZOHBDCM-INIZCTEOSA-N -1 3 346.471 3.571 20 0 EHADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cc(SC)ccc1C ZINC000826184269 947565678 /nfs/dbraw/zinc/56/56/78/947565678.db2.gz QTYQJUDVCQSFIS-UHFFFAOYSA-N -1 3 341.440 3.518 20 0 EHADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cc(SC)ccc1C ZINC000826184269 947565682 /nfs/dbraw/zinc/56/56/82/947565682.db2.gz QTYQJUDVCQSFIS-UHFFFAOYSA-N -1 3 341.440 3.518 20 0 EHADHM Clc1ccc2sc(NCc3cccc(-c4nnn[n-]4)c3)nc2c1 ZINC000826352474 948101428 /nfs/dbraw/zinc/10/14/28/948101428.db2.gz CAOOXOHZIORUIK-UHFFFAOYSA-N -1 3 342.815 3.742 20 0 EHADHM Clc1ccc2sc(NCc3cccc(-c4nn[n-]n4)c3)nc2c1 ZINC000826352474 948101434 /nfs/dbraw/zinc/10/14/34/948101434.db2.gz CAOOXOHZIORUIK-UHFFFAOYSA-N -1 3 342.815 3.742 20 0 EHADHM CCC[C@@H](CC1CCCC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001528093800 948542795 /nfs/dbraw/zinc/54/27/95/948542795.db2.gz QXJQZJYRIVIHBA-AWEZNQCLSA-N -1 3 345.422 3.941 20 0 EHADHM CCC[C@@H](CC1CCCC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001528093800 948542800 /nfs/dbraw/zinc/54/28/00/948542800.db2.gz QXJQZJYRIVIHBA-AWEZNQCLSA-N -1 3 345.422 3.941 20 0 EHADHM C[C@@H](C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@@H](C)C(C)(C)C ZINC001573755421 948762984 /nfs/dbraw/zinc/76/29/84/948762984.db2.gz DPAHIXPXAJUJCZ-NXEZZACHSA-N -1 3 335.839 3.777 20 0 EHADHM C[C@@H](C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@@H](C)C(C)(C)C ZINC001573755421 948762996 /nfs/dbraw/zinc/76/29/96/948762996.db2.gz DPAHIXPXAJUJCZ-NXEZZACHSA-N -1 3 335.839 3.777 20 0 EHADHM Cc1cc(CN2CCCC[C@@H]2CC(=O)[O-])ccc1Br ZINC000091477062 949137861 /nfs/dbraw/zinc/13/78/61/949137861.db2.gz NUFBXOKWBQMZDW-CYBMUJFWSA-N -1 3 326.234 3.587 20 0 EHADHM C[C@@H](c1cccc(Cl)c1)N(C)c1cc(F)ccc1-c1nnn[n-]1 ZINC001575513302 949147204 /nfs/dbraw/zinc/14/72/04/949147204.db2.gz RLBKQXLKDROXFV-JTQLQIEISA-N -1 3 331.782 3.857 20 0 EHADHM C[C@@H](c1cccc(Cl)c1)N(C)c1cc(F)ccc1-c1nn[n-]n1 ZINC001575513302 949147213 /nfs/dbraw/zinc/14/72/13/949147213.db2.gz RLBKQXLKDROXFV-JTQLQIEISA-N -1 3 331.782 3.857 20 0 EHADHM O=C([O-])c1cccc(CN(Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC001595242199 949476264 /nfs/dbraw/zinc/47/62/64/949476264.db2.gz PMOUYOVWOSDLGR-IBGZPJMESA-N -1 3 325.408 3.566 20 0 EHADHM CCN(CCC1(C(=O)[O-])CCC1)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001589730693 950503659 /nfs/dbraw/zinc/50/36/59/950503659.db2.gz QEQGLKYCLHHOCA-ZDUSSCGKSA-N -1 3 336.501 3.735 20 0 EHADHM C[C@H](CC(=O)Oc1ccc(-c2nnn[n-]2)cc1F)C1CCCCC1 ZINC001574520572 950737824 /nfs/dbraw/zinc/73/78/24/950737824.db2.gz UUJJFRWIVYXKMD-LLVKDONJSA-N -1 3 332.379 3.518 20 0 EHADHM C[C@H](CC(=O)Oc1ccc(-c2nn[n-]n2)cc1F)C1CCCCC1 ZINC001574520572 950737842 /nfs/dbraw/zinc/73/78/42/950737842.db2.gz UUJJFRWIVYXKMD-LLVKDONJSA-N -1 3 332.379 3.518 20 0 EHADHM CC(C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)C[C@@H](C)C[C@H]2C ZINC001574184867 950787316 /nfs/dbraw/zinc/78/73/16/950787316.db2.gz PJZYRLCFMXCFCE-WDEREUQCSA-N -1 3 347.488 3.989 20 0 EHADHM CC(C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)C[C@@H](C)C[C@H]2C ZINC001574184867 950787330 /nfs/dbraw/zinc/78/73/30/950787330.db2.gz PJZYRLCFMXCFCE-WDEREUQCSA-N -1 3 347.488 3.989 20 0 EHADHM C[C@H](c1ccccc1Br)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000388957007 951342629 /nfs/dbraw/zinc/34/26/29/951342629.db2.gz ZVLNHDYNIUJBCE-IJLUTSLNSA-N -1 3 326.234 3.553 20 0 EHADHM Cc1cc(Br)c(CN(CC(=O)[O-])CC2CC2)cc1Cl ZINC000650799048 954031418 /nfs/dbraw/zinc/03/14/18/954031418.db2.gz RDJNAFWFOUKRNP-UHFFFAOYSA-N -1 3 346.652 3.708 20 0 EHADHM CC(C)c1nn(Cc2ccccc2)c(Cl)c1CN[C@H](C)CC(=O)[O-] ZINC000813356448 955356836 /nfs/dbraw/zinc/35/68/36/955356836.db2.gz JUWDQFOURJPHKO-CYBMUJFWSA-N -1 3 349.862 3.661 20 0 EHADHM Cc1nc2scc(C3CC3)n2c1CNCc1ccccc1C(=O)[O-] ZINC000874044906 956103464 /nfs/dbraw/zinc/10/34/64/956103464.db2.gz RDDCSIHNMNFNHS-UHFFFAOYSA-N -1 3 341.436 3.570 20 0 EHADHM C[C@@H](NCc1ccc(C(=O)[O-])s1)c1ccc(C(F)(F)F)nc1 ZINC000903694428 956876548 /nfs/dbraw/zinc/87/65/48/956876548.db2.gz VVWBUDNDJJXQQC-MRVPVSSYSA-N -1 3 330.331 3.711 20 0 EHADHM C[C@@H](NCc1ccccc1CC(=O)[O-])c1cccc(Br)c1 ZINC000167603418 959350889 /nfs/dbraw/zinc/35/08/89/959350889.db2.gz CERPRSHZDOANCY-GFCCVEGCSA-N -1 3 348.240 3.927 20 0 EHADHM C[C@](NCc1cc(Cl)cc(Cl)c1N)(C(=O)[O-])c1ccccc1 ZINC001573630471 959549164 /nfs/dbraw/zinc/54/91/64/959549164.db2.gz JVEFPHBFGWLPGP-MRXNPFEDSA-N -1 3 339.222 3.665 20 0 EHADHM CCN(Cc1ccc(C(=O)[O-])o1)Cc1cccc(Br)c1 ZINC001140947355 960507908 /nfs/dbraw/zinc/50/79/08/960507908.db2.gz IPJQKYUJVGCRST-UHFFFAOYSA-N -1 3 338.201 3.762 20 0 EHADHM COc1ccccc1[C@@H](NC1CC(CC(=O)[O-])C1)c1ccccc1 ZINC001333136767 961653646 /nfs/dbraw/zinc/65/36/46/961653646.db2.gz PIDYDYGNKYDSIN-SGHGTVFPSA-N -1 3 325.408 3.628 20 0 EHADHM O=C([O-])[C@H]1CCCN(Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000263382044 962539564 /nfs/dbraw/zinc/53/95/64/962539564.db2.gz BWNLKQCVBDBMCK-LBPRGKRZSA-N -1 3 342.420 3.853 20 0 EHADHM C[C@@H]1C[C@@H](Nc2ncc(C(=O)[O-])cc2Cl)CN1Cc1ccccc1 ZINC000398024257 973055518 /nfs/dbraw/zinc/05/55/18/973055518.db2.gz JJGMSPQUYCSUBG-IUODEOHRSA-N -1 3 345.830 3.508 20 0 EHADHM Cc1cc(CNCc2cccc(C(=O)[O-])c2)ccc1Br ZINC000426671444 974043678 /nfs/dbraw/zinc/04/36/78/974043678.db2.gz MBJQFELMLOIONB-UHFFFAOYSA-N -1 3 334.213 3.746 20 0 EHADHM Cc1nn(-c2ccccc2)cc1CN[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000426754522 974046561 /nfs/dbraw/zinc/04/65/61/974046561.db2.gz QZSVQBQTTKYMCL-FQEVSTJZSA-N -1 3 349.434 3.713 20 0 EHADHM Cc1oc(-c2ccsc2)nc1CN1[C@@H](C)CC(C(=O)[O-])C[C@@H]1C ZINC000530177569 974363799 /nfs/dbraw/zinc/36/37/99/974363799.db2.gz WTVNGOTUVGPCLN-QWRGUYRKSA-N -1 3 334.441 3.785 20 0 EHADHM CS[C@H]1CCCCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000564092241 974543381 /nfs/dbraw/zinc/54/33/81/974543381.db2.gz HOVLRCOJXAXLAW-IINYFYTJSA-N -1 3 331.840 3.822 20 0 EHADHM CCCc1nc(C)c(CN(Cc2ccccc2)C[C@H](C)C(=O)[O-])o1 ZINC000568873870 974679622 /nfs/dbraw/zinc/67/96/22/974679622.db2.gz HNJHLGOELTYNEW-AWEZNQCLSA-N -1 3 330.428 3.658 20 0 EHADHM CCO[C@@H]1C[C@@H](N(C)Cc2cc(C(=O)[O-])c(C)o2)C12CCCCC2 ZINC000575875484 974802877 /nfs/dbraw/zinc/80/28/77/974802877.db2.gz HASZBQYYMIZBIN-IAGOWNOFSA-N -1 3 335.444 3.846 20 0 EHADHM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1CCOc1cccc(C(=O)[O-])c1 ZINC000576592152 974818064 /nfs/dbraw/zinc/81/80/64/974818064.db2.gz WVUGHTCOKMHXNX-KBPBESRZSA-N -1 3 343.398 3.911 20 0 EHADHM CCCCO[C@@H]1C[C@H](N(C)Cc2cc(C(=O)[O-])oc2CC)C1(C)C ZINC000578515481 974856879 /nfs/dbraw/zinc/85/68/79/974856879.db2.gz VZVGCQICXGAJON-DLBZAZTESA-N -1 3 337.460 3.956 20 0 EHADHM Cn1cc(-c2cccc(CNCc3cccc([O-])c3Cl)c2)cn1 ZINC000339328023 1014226710 /nfs/dbraw/zinc/22/67/10/1014226710.db2.gz DWYJISMFSXTNNB-UHFFFAOYSA-N -1 3 327.815 3.736 20 0 EHADHM CC(C)c1ccc(C(=O)N2CCSC[C@H]2c2nccs2)c([O-])c1 ZINC000274563115 1014233454 /nfs/dbraw/zinc/23/34/54/1014233454.db2.gz DITNMDDCGWWMEY-AWEZNQCLSA-N -1 3 348.493 3.902 20 0 EHADHM O=C([O-])[C@@H]1CCN(Cc2ncc(-c3cccc(F)c3)o2)[C@@H]2CCC[C@H]21 ZINC000629373312 975087418 /nfs/dbraw/zinc/08/74/18/975087418.db2.gz HVXMSADLIUSYGM-ARFHVFGLSA-N -1 3 344.386 3.556 20 0 EHADHM Cc1cc([C@H](C)N2CC[C@@H](Oc3cccc(F)c3)C2)oc1C(=O)[O-] ZINC000634697420 975274541 /nfs/dbraw/zinc/27/45/41/975274541.db2.gz JCZMYMCLNQZLAK-SWLSCSKDSA-N -1 3 333.359 3.640 20 0 EHADHM CC(C)Oc1ccc2ccccc2c1CNCc1c[nH]c(C(=O)[O-])c1 ZINC001591791616 975988882 /nfs/dbraw/zinc/98/88/82/975988882.db2.gz LBSKZQSCVPVNAU-UHFFFAOYSA-N -1 3 338.407 3.943 20 0 EHADHM CC[C@H](CC(F)F)CN1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001595041251 979221884 /nfs/dbraw/zinc/22/18/84/979221884.db2.gz HZMMVUHKUIAFTJ-GHMZBOCLSA-N -1 3 332.416 3.968 20 0 EHADHM CCC(CC)[C@H](O)CNCc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001595109314 979441639 /nfs/dbraw/zinc/44/16/39/979441639.db2.gz GWAHJCKXTSLJIW-QGZVFWFLSA-N -1 3 331.412 3.532 20 0 EHADHM CC[C@H](NCC(=O)Nc1ccccc1C(=O)[O-])c1cc(C)ccc1C ZINC001595286993 980365877 /nfs/dbraw/zinc/36/58/77/980365877.db2.gz KIFWZZSWZLVXSL-KRWDZBQOSA-N -1 3 340.423 3.681 20 0 EHADHM O=C([O-])c1ccc(CN2CC[C@H]3CSC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000901544829 980373252 /nfs/dbraw/zinc/37/32/52/980373252.db2.gz UHFZDXGZWFEEOE-STQMWFEESA-N -1 3 345.386 3.589 20 0 EHADHM C[C@@]1(CN2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)CCCS1 ZINC000901585640 980393446 /nfs/dbraw/zinc/39/34/46/980393446.db2.gz BYINLGDBMSHOGR-SFHVURJKSA-N -1 3 330.453 3.510 20 0 EHADHM 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O=C(c1c([O-])cccc1O)N1Cc2ccccc2-c2ccccc2C1 ZINC000092120700 1023302480 /nfs/dbraw/zinc/30/24/80/1023302480.db2.gz OVYZOLGWPSIWGG-UHFFFAOYSA-N -1 3 331.371 3.921 20 0 EHADHM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC000431159079 1023356996 /nfs/dbraw/zinc/35/69/96/1023356996.db2.gz MSRUQEDLCHDTMS-UHFFFAOYSA-N -1 3 335.734 3.867 20 0 EHADHM O=C(c1cc([O-])ccc1Cl)N1CC(OCCCc2ccccc2)C1 ZINC000341898728 1023668460 /nfs/dbraw/zinc/66/84/60/1023668460.db2.gz FQLMWPSQKFPGPF-UHFFFAOYSA-N -1 3 345.826 3.519 20 0 EHADHM COc1ccc([O-])c(C(=O)Nc2cc(-c3nc(C)co3)ccc2C)c1 ZINC000150898832 1023980663 /nfs/dbraw/zinc/98/06/63/1023980663.db2.gz SMINQBGMKMQDJP-UHFFFAOYSA-N -1 3 338.363 3.925 20 0 EHADHM COc1cccc(Cl)c1CNC[C@H](Cc1cccc(C)c1)C(=O)[O-] ZINC000417555693 1024019110 /nfs/dbraw/zinc/01/91/10/1024019110.db2.gz FSQKRCNSHNYVKN-HNNXBMFYSA-N -1 3 347.842 3.690 20 0 EHADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F ZINC000443925223 1024127185 /nfs/dbraw/zinc/12/71/85/1024127185.db2.gz 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1024760429 /nfs/dbraw/zinc/76/04/29/1024760429.db2.gz BIIFBZWAMDDTPW-CQSZACIVSA-N -1 3 333.378 3.886 20 0 EHADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1nc(C)cs1 ZINC000104759566 1024816123 /nfs/dbraw/zinc/81/61/23/1024816123.db2.gz ABSBBVUUEBHIEJ-MRVPVSSYSA-N -1 3 336.891 3.596 20 0 EHADHM C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Br)cc1[O-] ZINC000515205977 1025089838 /nfs/dbraw/zinc/08/98/38/1025089838.db2.gz ZTNXKKGLDYMKMM-SNVBAGLBSA-N -1 3 336.185 3.561 20 0 EHADHM O=C(N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12)c1cc([O-])ccc1Cl ZINC001167550927 1025404788 /nfs/dbraw/zinc/40/47/88/1025404788.db2.gz ICZSCVBQYDZOSI-NUEKZKHPSA-N -1 3 334.202 3.767 20 0 EHADHM Cc1nc(C(C)C)oc1C(=O)N=c1cc(-c2cc(C)cc(C)c2)[n-][nH]1 ZINC000449838237 1033284823 /nfs/dbraw/zinc/28/48/23/1033284823.db2.gz ZYNRZGGYOOQVLI-UHFFFAOYSA-N -1 3 338.411 3.788 20 0 EHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3[nH]c(C)cc3c2)cc1C ZINC000515691605 1025479450 /nfs/dbraw/zinc/47/94/50/1025479450.db2.gz SJGWMNFSYCHOMY-UHFFFAOYSA-N -1 3 344.436 3.903 20 0 EHADHM Cc1nc(C)c(CCC(=O)NCC[C@H]2C[C@@H](C)CC(C)(C)C2)c(=O)[n-]1 ZINC000436238429 1025503838 /nfs/dbraw/zinc/50/38/38/1025503838.db2.gz KNPIYXCOKKJUQR-CJNGLKHVSA-N -1 3 347.503 3.700 20 0 EHADHM Cc1nc(-c2ccc(C(=O)Nc3nc(C)ccc3[O-])cc2)cs1 ZINC000442810596 1025507128 /nfs/dbraw/zinc/50/71/28/1025507128.db2.gz MTLSTKOXEKGTMH-UHFFFAOYSA-N -1 3 325.393 3.780 20 0 EHADHM CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000449822278 1033288487 /nfs/dbraw/zinc/28/84/87/1033288487.db2.gz VHSCKNFHYGVZPY-ZDUSSCGKSA-N -1 3 340.851 3.561 20 0 EHADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)c(C)s1 ZINC000515752125 1025559549 /nfs/dbraw/zinc/55/95/49/1025559549.db2.gz SWSXZDRHSGUYEL-ZDUSSCGKSA-N -1 3 349.399 3.947 20 0 EHADHM O=C(CSCC(F)(F)F)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000121636130 1025623580 /nfs/dbraw/zinc/62/35/80/1025623580.db2.gz XRBOLGXYOWUAQO-UHFFFAOYSA-N -1 3 333.253 3.645 20 0 EHADHM Cc1cccc(C(=O)Nc2ccc(O[C@H]3CCCC[C@@H]3O)cc2)c1[O-] ZINC000436495103 1025779819 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EHADHM CC[C@H](C)n1ncc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1C ZINC000436594033 1025910104 /nfs/dbraw/zinc/91/01/04/1025910104.db2.gz HLLSFPWCNMSQFA-LBPRGKRZSA-N -1 3 327.428 3.999 20 0 EHADHM COc1ccc(Cl)c(-c2cc(C(=O)[N-]c3ncc(C)o3)on2)c1 ZINC001126577723 1025916440 /nfs/dbraw/zinc/91/64/40/1025916440.db2.gz BJUVIFHNHWKJAP-UHFFFAOYSA-N -1 3 333.731 3.552 20 0 EHADHM CC[C@H](O)CN(Cc1ccccc1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436600471 1025932540 /nfs/dbraw/zinc/93/25/40/1025932540.db2.gz FLZDRLHVVPFWGK-SFHVURJKSA-N -1 3 341.451 3.929 20 0 EHADHM CC(C)c1ccc(C(=O)N(C)[C@@H](C)[C@H]2Cc3ccccc3O2)c([O-])c1 ZINC000436611884 1025944059 /nfs/dbraw/zinc/94/40/59/1025944059.db2.gz ZJECAKQHGHFVSF-VBKZILBWSA-N -1 3 339.435 3.980 20 0 EHADHM O=C(NCc1cscn1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436629475 1025956850 /nfs/dbraw/zinc/95/68/50/1025956850.db2.gz JRXMYPIJROQOET-UHFFFAOYSA-N -1 3 338.432 3.564 20 0 EHADHM COc1ccc(C(=O)N2CC=C(c3cc(C)cc(C)c3)CC2)c([O-])c1 ZINC000436619772 1025969052 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3 325.817 3.548 20 0 EHADHM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000127828425 1026561015 /nfs/dbraw/zinc/56/10/15/1026561015.db2.gz IJCHIUZLGUYODA-UHFFFAOYSA-N -1 3 342.823 3.654 20 0 EHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H]3CCCC(C)(C)O3)nc2)n1 ZINC000897254243 1026585834 /nfs/dbraw/zinc/58/58/34/1026585834.db2.gz MVOBFAFCMIJYAW-HNNXBMFYSA-N -1 3 342.443 3.566 20 0 EHADHM COc1cc(C(=O)Nc2cc(Br)ccc2[O-])ccc1C ZINC000531155582 1026628598 /nfs/dbraw/zinc/62/85/98/1026628598.db2.gz LLRTUTBKHPQWRG-UHFFFAOYSA-N -1 3 336.185 3.724 20 0 EHADHM CS[C@@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000452556064 1026835640 /nfs/dbraw/zinc/83/56/40/1026835640.db2.gz DWGQFRDKVQMJIS-MRXNPFEDSA-N -1 3 327.449 3.561 20 0 EHADHM CCO[C@H](C)c1nc(CSCc2nc(CC)cc(=O)[n-]2)cs1 ZINC000125555456 1027091668 /nfs/dbraw/zinc/09/16/68/1027091668.db2.gz CSCCSVFAYOIHMZ-SNVBAGLBSA-N -1 3 339.486 3.732 20 0 EHADHM CC[C@H]1C[C@@H](CC(=O)Nc2cc(Br)ccc2[O-])CCO1 ZINC000272830613 1027135675 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EHADHM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000489919825 1040237932 /nfs/dbraw/zinc/23/79/32/1040237932.db2.gz CTYVBWASWZKAMH-UKRRQHHQSA-N -1 3 347.422 3.795 20 0 EHADHM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000489919825 1040237949 /nfs/dbraw/zinc/23/79/49/1040237949.db2.gz CTYVBWASWZKAMH-UKRRQHHQSA-N -1 3 347.422 3.795 20 0 EHADHM CCC1=C(C(=O)Nc2cc(Br)ccc2[O-])CCCO1 ZINC000189799360 1040294705 /nfs/dbraw/zinc/29/47/05/1040294705.db2.gz FUKDIRWLAXFTSJ-UHFFFAOYSA-N -1 3 326.190 3.568 20 0 EHADHM COC[C@@H](C)N(Cc1ccoc1C(=O)[O-])[C@@H]1CCc2ccccc21 ZINC000629375851 1040409778 /nfs/dbraw/zinc/40/97/78/1040409778.db2.gz NUWHLNXYYWAPFU-CXAGYDPISA-N -1 3 329.396 3.502 20 0 EHADHM Cc1cccc(OC[C@H](C)NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000468743642 1040454370 /nfs/dbraw/zinc/45/43/70/1040454370.db2.gz MZBZMBSJKFLICR-HNNXBMFYSA-N -1 3 345.414 3.746 20 0 EHADHM C[C@H](CCC[C@@H](C)C(=O)[O-])NCc1cccc(F)c1Br ZINC000156975383 1040516393 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O=C(OCc1ncc(-c2ccccc2)o1)c1cc(-c2ccco2)[n-]n1 ZINC000913295501 1040710175 /nfs/dbraw/zinc/71/01/75/1040710175.db2.gz FVIYZAZUIGLBPH-UHFFFAOYSA-N -1 3 335.319 3.682 20 0 EHADHM O=C(OCc1ncc(-c2ccccc2)o1)c1cc(-c2ccco2)n[n-]1 ZINC000913295501 1040710199 /nfs/dbraw/zinc/71/01/99/1040710199.db2.gz FVIYZAZUIGLBPH-UHFFFAOYSA-N -1 3 335.319 3.682 20 0 EHADHM Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(-c3ccco3)[n-]n2)cc1C ZINC000913296730 1040710608 /nfs/dbraw/zinc/71/06/08/1040710608.db2.gz OEQVFDJSAROSOY-CYBMUJFWSA-N -1 3 338.363 3.715 20 0 EHADHM Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(-c3ccco3)n[n-]2)cc1C ZINC000913296730 1040710619 /nfs/dbraw/zinc/71/06/19/1040710619.db2.gz OEQVFDJSAROSOY-CYBMUJFWSA-N -1 3 338.363 3.715 20 0 EHADHM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000913358340 1040757613 /nfs/dbraw/zinc/75/76/13/1040757613.db2.gz ZWIYLFXAKKESJL-ZIAGYGMSSA-N -1 3 347.422 3.795 20 0 EHADHM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000913358340 1040757628 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CCc1ccc([O-])c(C(=O)N2CC[C@](F)(c3ccccc3F)C2)c1 ZINC000549524586 1041888886 /nfs/dbraw/zinc/88/88/86/1041888886.db2.gz XGKSRJBHKMZEKF-LJQANCHMSA-N -1 3 331.362 3.805 20 0 EHADHM CC[C@H](C)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500435248 1041970278 /nfs/dbraw/zinc/97/02/78/1041970278.db2.gz VNZICQMJAUSORN-VIFPVBQESA-N -1 3 330.862 3.540 20 0 EHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3ccccc3)c2)n1 ZINC000049302086 1041990627 /nfs/dbraw/zinc/99/06/27/1041990627.db2.gz HCVRUQDEMRWJAZ-UHFFFAOYSA-N -1 3 347.418 3.571 20 0 EHADHM CC1(C)[C@@H](c2ccc(F)c(F)c2)CCN1C(=O)c1ccc(O)cc1[O-] ZINC000893477705 1042226973 /nfs/dbraw/zinc/22/69/73/1042226973.db2.gz UAMCUSHFHKIPQJ-CQSZACIVSA-N -1 3 347.361 3.784 20 0 EHADHM CN(Cc1c(F)cccc1F)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000511909571 1042421428 /nfs/dbraw/zinc/42/14/28/1042421428.db2.gz JVEIYHANCRIGBA-UHFFFAOYSA-N -1 3 337.341 3.791 20 0 EHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CC3(F)F)cc2)cc1 ZINC000663262084 1042608268 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C[C@H](NCc1cc(=O)[n-]c(-c2ccccc2)n1)c1cccc(F)c1F ZINC001168733421 1129641483 /nfs/dbraw/zinc/64/14/83/1129641483.db2.gz JUXDORVQYVNQLV-LBPRGKRZSA-N -1 3 341.361 3.978 20 0 EHADHM CCc1nc(C)c(C[N-]C(=O)C(F)(F)c2ccc(Cl)cc2)o1 ZINC001117790798 1129979761 /nfs/dbraw/zinc/97/97/61/1129979761.db2.gz JBUMMTRXKKEOPX-UHFFFAOYSA-N -1 3 328.746 3.607 20 0 EHADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CCc2c1cccc2Cl ZINC000172564700 1130143485 /nfs/dbraw/zinc/14/34/85/1130143485.db2.gz FUWZNVOXTVPLFB-OAHLLOKOSA-N -1 3 334.778 3.671 20 0 EHADHM [O-]c1ccc(-c2nc(-c3cc(F)cc(OC(F)(F)F)c3)no2)nc1 ZINC001212558132 1130380038 /nfs/dbraw/zinc/38/00/38/1130380038.db2.gz SXPFGYYCHGMATG-UHFFFAOYSA-N -1 3 341.220 3.542 20 0 EHADHM O=C(c1ccccc1)c1ccc(-c2noc(-c3ccc([O-])cn3)n2)cc1 ZINC001212558273 1130380569 /nfs/dbraw/zinc/38/05/69/1130380569.db2.gz ZURNDKAGOWVKNO-UHFFFAOYSA-N -1 3 343.342 3.735 20 0 EHADHM Cc1nc(Br)ccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001212563296 1130395280 /nfs/dbraw/zinc/39/52/80/1130395280.db2.gz 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ZINC000731783588 1130846113 /nfs/dbraw/zinc/84/61/13/1130846113.db2.gz RCRFYMKUYKURGU-UHFFFAOYSA-N -1 3 342.823 3.654 20 0 EHADHM O=C(COC(=O)c1cncc([O-])c1)c1ccc(C2CCCCC2)cc1 ZINC000731914870 1130861141 /nfs/dbraw/zinc/86/11/41/1130861141.db2.gz AVNSXTSZGPHUBE-UHFFFAOYSA-N -1 3 339.391 3.875 20 0 EHADHM CC[C@H](OC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Cl)cc1 ZINC000733489332 1131047399 /nfs/dbraw/zinc/04/73/99/1131047399.db2.gz LSMAWLUEVOELBM-HNNXBMFYSA-N -1 3 343.766 3.532 20 0 EHADHM O=C(NCc1ccco1)c1cccc(Nc2cc([O-])c(F)cc2F)c1 ZINC001174199449 1132280909 /nfs/dbraw/zinc/28/09/09/1132280909.db2.gz OTNHTXKUMRDTKC-UHFFFAOYSA-N -1 3 344.317 3.937 20 0 EHADHM COC(=O)Nc1ccc(C(=O)O[C@@H](C)c2ccc(F)cc2)cc1[O-] ZINC000745651280 1132288427 /nfs/dbraw/zinc/28/84/27/1132288427.db2.gz VPASUNQPJARVJH-JTQLQIEISA-N -1 3 333.315 3.628 20 0 EHADHM O=C(COC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])C1CC1 ZINC000746080053 1132362190 /nfs/dbraw/zinc/36/21/90/1132362190.db2.gz SNCCWLWJVGXNGR-UHFFFAOYSA-N -1 3 330.767 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GYJHUGNLEZLZCV-UHFFFAOYSA-N -1 3 348.179 3.820 20 0 EHADHM COC(=O)c1nc2ccc(NC/C=C(\C)CCC=C(C)C)nc2[n-]1 ZINC001169137600 1132667440 /nfs/dbraw/zinc/66/74/40/1132667440.db2.gz LBIYIGHAWAXBLO-JLHYYAGUSA-N -1 3 328.416 3.849 20 0 EHADHM COC(=O)c1nc2nc(NC/C=C(\C)CCC=C(C)C)ccc2[n-]1 ZINC001169137600 1132667445 /nfs/dbraw/zinc/66/74/45/1132667445.db2.gz LBIYIGHAWAXBLO-JLHYYAGUSA-N -1 3 328.416 3.849 20 0 EHADHM COC(=O)c1nc2ccc(NC/C=C(\C)CCC=C(C)C)[n-]c-2n1 ZINC001169137600 1132667447 /nfs/dbraw/zinc/66/74/47/1132667447.db2.gz LBIYIGHAWAXBLO-JLHYYAGUSA-N -1 3 328.416 3.849 20 0 EHADHM Cc1c(F)c(Br)ccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175432578 1132667761 /nfs/dbraw/zinc/66/77/61/1132667761.db2.gz ISEBKFVRVQGFHB-UHFFFAOYSA-N -1 3 348.179 3.820 20 0 EHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1c2ccccc2CC[C@@H]1F ZINC001175771638 1132761457 /nfs/dbraw/zinc/76/14/57/1132761457.db2.gz GPVQORQCCVNBKK-OXJNMPFZSA-N -1 3 345.389 3.996 20 0 EHADHM Cc1nc2c(s1)c(-c1ccccc1)nnc2NCc1ncccc1[O-] ZINC001169730861 1132841370 /nfs/dbraw/zinc/84/13/70/1132841370.db2.gz KHOONSSAQXAFMH-UHFFFAOYSA-N -1 3 349.419 3.774 20 0 EHADHM O=C(CCc1ccccc1)Nc1ccc(NCc2ncccc2[O-])cc1 ZINC001169733249 1132842600 /nfs/dbraw/zinc/84/26/00/1132842600.db2.gz RKWITBBZHQYUGV-UHFFFAOYSA-N -1 3 347.418 3.971 20 0 EHADHM COC(=O)c1oc([C@@H](C)OC(=O)c2cc(Cl)c(Cl)[n-]2)cc1C ZINC000767276764 1132974358 /nfs/dbraw/zinc/97/43/58/1132974358.db2.gz HLAUCHAXWUBLGB-SSDOTTSWSA-N -1 3 346.166 3.928 20 0 EHADHM Cc1cc(C=Cc2nccc(=O)[n-]2)cc(C)c1OCc1ccccn1 ZINC000742222047 1133054090 /nfs/dbraw/zinc/05/40/90/1133054090.db2.gz YLNUVCXPZWNMAG-VOTSOKGWSA-N -1 3 333.391 3.943 20 0 EHADHM O=C(Cc1csc(-c2ccc(O)cc2)n1)Nc1ccc(F)c([O-])c1 ZINC001177985277 1133126897 /nfs/dbraw/zinc/12/68/97/1133126897.db2.gz KNNMBWNVHPCKGE-UHFFFAOYSA-N -1 3 344.367 3.542 20 0 EHADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H](c1ccccn1)C1CC1 ZINC001178239751 1133150588 /nfs/dbraw/zinc/15/05/88/1133150588.db2.gz YOJVCJGDHWSCSZ-OAHLLOKOSA-N -1 3 347.212 3.682 20 0 EHADHM O=C(NC[C@H](O)c1ccc(-c2ccccc2)cc1)c1ccccc1[O-] ZINC000768567743 1133156824 /nfs/dbraw/zinc/15/68/24/1133156824.db2.gz JCSDNLRUIWUVCU-FQEVSTJZSA-N -1 3 333.387 3.523 20 0 EHADHM O=C(NC(C1CCCC1)C1CCCC1)c1cc(F)cc2n[n-]nc21 ZINC001178523573 1133176011 /nfs/dbraw/zinc/17/60/11/1133176011.db2.gz OMUOWEWXKFUPCN-UHFFFAOYSA-N -1 3 330.407 3.576 20 0 EHADHM Cc1cc(Cl)nc(CNCc2cccc([O-])c2Br)c1 ZINC001178549503 1133179040 /nfs/dbraw/zinc/17/90/40/1133179040.db2.gz KBSJGMFLJWOINR-UHFFFAOYSA-N -1 3 341.636 3.801 20 0 EHADHM CC(C)OC(=O)c1cc(NC(=O)c2ccc(F)c3ccccc23)[n-]n1 ZINC001179082087 1133227526 /nfs/dbraw/zinc/22/75/26/1133227526.db2.gz JFBWZQIBQKRHBG-UHFFFAOYSA-N -1 3 341.342 3.520 20 0 EHADHM CC(C)OC(=O)c1cc(NC(=O)c2ccc(F)c3ccccc23)n[n-]1 ZINC001179082087 1133227533 /nfs/dbraw/zinc/22/75/33/1133227533.db2.gz JFBWZQIBQKRHBG-UHFFFAOYSA-N -1 3 341.342 3.520 20 0 EHADHM COc1cc([C@H](C)NC(=O)c2cccc3n[n-]nc32)cc2ccccc21 ZINC001179986998 1133310238 /nfs/dbraw/zinc/31/02/38/1133310238.db2.gz NQQLLZMYLJOPHA-LBPRGKRZSA-N -1 3 346.390 3.611 20 0 EHADHM CC(C)(C(=O)Nc1cc(Br)ccc1[O-])C(F)(F)F ZINC001180450157 1133376709 /nfs/dbraw/zinc/37/67/09/1133376709.db2.gz IQWWZACGSHTDQO-UHFFFAOYSA-N -1 3 326.112 3.682 20 0 EHADHM CCCOc1ccc([C@H](O)C(=O)Nc2cc([O-])cc(Cl)c2)cc1 ZINC001180838614 1133417273 /nfs/dbraw/zinc/41/72/73/1133417273.db2.gz YOGKEQCHEJQHKJ-INIZCTEOSA-N -1 3 335.787 3.507 20 0 EHADHM CC(C)[C@H](C(=O)Nc1ncccc1[O-])c1ccc(Br)cc1 ZINC001182272065 1133609210 /nfs/dbraw/zinc/60/92/10/1133609210.db2.gz IBTRUXXJJMLYGT-AWEZNQCLSA-N -1 3 349.228 3.928 20 0 EHADHM C[C@](CO)([N-]c1nc(-c2cc(Cl)cc(Cl)c2)no1)C1CC1 ZINC000774536174 1133716710 /nfs/dbraw/zinc/71/67/10/1133716710.db2.gz JLZPCZJNHKHKMX-CQSZACIVSA-N -1 3 328.199 3.616 20 0 EHADHM COc1ccc(C(=O)[C@@H](C)OC(=O)c2cc3occc3[n-]2)cc1Cl ZINC000786030467 1133793356 /nfs/dbraw/zinc/79/33/56/1133793356.db2.gz QYPVBLVGQQMHJD-SECBINFHSA-N -1 3 347.754 3.851 20 0 EHADHM O=C(COC(=O)c1cc2occc2[n-]1)Nc1ccc2ccccc2c1 ZINC000786033520 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COC(=O)c1cccc([O-])c1NC(=O)Nc1c(C)cccc1Cl ZINC001184537315 1133951123 /nfs/dbraw/zinc/95/11/23/1133951123.db2.gz HDTRMPZHMUJUMR-UHFFFAOYSA-N -1 3 334.759 3.785 20 0 EHADHM CC(C)Cc1ccc([C@H](C)NC(=O)c2[n-]c(=O)ccc2Cl)cc1 ZINC001184816681 1133994450 /nfs/dbraw/zinc/99/44/50/1133994450.db2.gz MSHJILQGPUGTCF-LBPRGKRZSA-N -1 3 332.831 3.556 20 0 EHADHM O=C(CCCc1ccc([O-])c(F)c1)OCCOc1ccc(F)cc1 ZINC000787842779 1134047167 /nfs/dbraw/zinc/04/71/67/1134047167.db2.gz BSJLCKLLHIMMCF-UHFFFAOYSA-N -1 3 336.334 3.615 20 0 EHADHM O=C(NCc1ccc(-n2cccn2)cc1)c1cc2sccc2c([O-])c1 ZINC000788278522 1134107661 /nfs/dbraw/zinc/10/76/61/1134107661.db2.gz AWQWQPRWGUUHEJ-UHFFFAOYSA-N -1 3 349.415 3.723 20 0 EHADHM O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cc2sccc2c([O-])c1 ZINC000788276165 1134107798 /nfs/dbraw/zinc/10/77/98/1134107798.db2.gz MEUNOYNBTMDKSV-UHFFFAOYSA-N -1 3 326.333 3.706 20 0 EHADHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2c(F)cccc2Cl)cc1F ZINC001186047024 1134166093 /nfs/dbraw/zinc/16/60/93/1134166093.db2.gz 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IIIBQYZPEGMXDX-QGZVFWFLSA-N -1 3 349.438 3.629 20 0 EHADHM CCc1cccc(NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000736698575 598849030 /nfs/dbraw/zinc/84/90/30/598849030.db2.gz JWDYYRSJEKFNJA-UHFFFAOYSA-N -1 3 342.790 3.727 20 0 EHADHM CCc1cccc(NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000736698575 598849032 /nfs/dbraw/zinc/84/90/32/598849032.db2.gz JWDYYRSJEKFNJA-UHFFFAOYSA-N -1 3 342.790 3.727 20 0 EHADHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc2ccccc2c1 ZINC000737063283 598858098 /nfs/dbraw/zinc/85/80/98/598858098.db2.gz UPFGKHWTUXINSM-UHFFFAOYSA-N -1 3 331.379 3.641 20 0 EHADHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc2ccccc2c1 ZINC000737063283 598858099 /nfs/dbraw/zinc/85/80/99/598858099.db2.gz UPFGKHWTUXINSM-UHFFFAOYSA-N -1 3 331.379 3.641 20 0 EHADHM CC1(C)CCCC[C@@H]1CC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000824802753 607786090 /nfs/dbraw/zinc/78/60/90/607786090.db2.gz PPFPVAXDSWHAJH-LLVKDONJSA-N -1 3 331.395 3.551 20 0 EHADHM CC1(C)CCCC[C@@H]1CC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000824802753 607786091 /nfs/dbraw/zinc/78/60/91/607786091.db2.gz PPFPVAXDSWHAJH-LLVKDONJSA-N -1 3 331.395 3.551 20 0 EHADHM c1ccc2cc(CCSc3cc(-c4nnn[n-]4)ccn3)ccc2c1 ZINC000738441471 598900916 /nfs/dbraw/zinc/90/09/16/598900916.db2.gz KBYDOVANHCBIAE-UHFFFAOYSA-N -1 3 333.420 3.750 20 0 EHADHM c1ccc2cc(CCSc3cc(-c4nn[n-]n4)ccn3)ccc2c1 ZINC000738441471 598900917 /nfs/dbraw/zinc/90/09/17/598900917.db2.gz KBYDOVANHCBIAE-UHFFFAOYSA-N -1 3 333.420 3.750 20 0 EHADHM CC[C@@H](CC1CCCC1)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736350069 598903413 /nfs/dbraw/zinc/90/34/13/598903413.db2.gz LCYDMTZFVUGBFV-HIFRSBDPSA-N -1 3 341.459 3.650 20 0 EHADHM CC[C@@H](CC1CCCC1)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736350069 598903415 /nfs/dbraw/zinc/90/34/15/598903415.db2.gz LCYDMTZFVUGBFV-HIFRSBDPSA-N -1 3 341.459 3.650 20 0 EHADHM C[C@H](CC1CCCC1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735984472 598903916 /nfs/dbraw/zinc/90/39/16/598903916.db2.gz DVAMELKGDMPUOP-GFCCVEGCSA-N -1 3 344.463 3.578 20 0 EHADHM C[C@H](CC1CCCC1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735984472 598903918 /nfs/dbraw/zinc/90/39/18/598903918.db2.gz DVAMELKGDMPUOP-GFCCVEGCSA-N -1 3 344.463 3.578 20 0 EHADHM CCN(Cc1ccc(Cl)cc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736558472 598939857 /nfs/dbraw/zinc/93/98/57/598939857.db2.gz LQXPUNUEHGYSKE-UHFFFAOYSA-N -1 3 349.225 3.595 20 0 EHADHM CCN(Cc1ccc(Cl)cc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736558472 598939859 /nfs/dbraw/zinc/93/98/59/598939859.db2.gz LQXPUNUEHGYSKE-UHFFFAOYSA-N -1 3 349.225 3.595 20 0 EHADHM CC1CCC(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000736237649 599045560 /nfs/dbraw/zinc/04/55/60/599045560.db2.gz RUSSYCSJFQYSCH-UHFFFAOYSA-N -1 3 340.353 3.519 20 0 EHADHM CC1CCC(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000736237649 599045563 /nfs/dbraw/zinc/04/55/63/599045563.db2.gz RUSSYCSJFQYSCH-UHFFFAOYSA-N -1 3 340.353 3.519 20 0 EHADHM O=C(CCCSc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000737835186 599064402 /nfs/dbraw/zinc/06/44/02/599064402.db2.gz FSOQZMFMNRODCW-UHFFFAOYSA-N -1 3 342.399 3.761 20 0 EHADHM O=C(CCCSc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000737835186 599064404 /nfs/dbraw/zinc/06/44/04/599064404.db2.gz FSOQZMFMNRODCW-UHFFFAOYSA-N -1 3 342.399 3.761 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1NCc1ccc(-c2cccnc2)cc1 ZINC000822748243 599111263 /nfs/dbraw/zinc/11/12/63/599111263.db2.gz OVJQAXZTRSLAKP-UHFFFAOYSA-N -1 3 346.369 3.680 20 0 EHADHM CC(C)(C)[C@H]1CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735598173 599180393 /nfs/dbraw/zinc/18/03/93/599180393.db2.gz XDXVRPSJPZBQKY-AWEZNQCLSA-N -1 3 342.447 3.547 20 0 EHADHM CC(C)(C)[C@H]1CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735598173 599180394 /nfs/dbraw/zinc/18/03/94/599180394.db2.gz XDXVRPSJPZBQKY-AWEZNQCLSA-N -1 3 342.447 3.547 20 0 EHADHM CCCC[C@H](CC)CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736437822 599224469 /nfs/dbraw/zinc/22/44/69/599224469.db2.gz GDOBYPMQVWIBTH-LBPRGKRZSA-N -1 3 333.411 3.575 20 0 EHADHM CCCC[C@H](CC)CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736437822 599224470 /nfs/dbraw/zinc/22/44/70/599224470.db2.gz GDOBYPMQVWIBTH-LBPRGKRZSA-N -1 3 333.411 3.575 20 0 EHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@H](CC1CC1)c1ccccc1 ZINC000823360335 599248893 /nfs/dbraw/zinc/24/88/93/599248893.db2.gz ZFOHBNHZZPDOKC-QGZVFWFLSA-N -1 3 348.410 3.530 20 0 EHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@H](CC1CC1)c1ccccc1 ZINC000823360335 599248895 /nfs/dbraw/zinc/24/88/95/599248895.db2.gz ZFOHBNHZZPDOKC-QGZVFWFLSA-N -1 3 348.410 3.530 20 0 EHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C=CC2CCCCC2)s1 ZINC000736679474 599249227 /nfs/dbraw/zinc/24/92/27/599249227.db2.gz UPQGOSXUZTWOBP-HJWRWDBZSA-N -1 3 331.445 3.566 20 0 EHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)/C=C\C2CCCCC2)s1 ZINC000736679474 599249230 /nfs/dbraw/zinc/24/92/30/599249230.db2.gz UPQGOSXUZTWOBP-HJWRWDBZSA-N -1 3 331.445 3.566 20 0 EHADHM Cc1c(NC(=O)N(CC(C)C)CC(C)(C)C)cccc1-c1nnn[n-]1 ZINC000822077346 607280009 /nfs/dbraw/zinc/28/00/09/607280009.db2.gz USYNBYFJSXJKPK-UHFFFAOYSA-N -1 3 344.463 3.711 20 0 EHADHM Cc1c(NC(=O)N(CC(C)C)CC(C)(C)C)cccc1-c1nn[n-]n1 ZINC000822077346 607280010 /nfs/dbraw/zinc/28/00/10/607280010.db2.gz USYNBYFJSXJKPK-UHFFFAOYSA-N -1 3 344.463 3.711 20 0 EHADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820863871 607289778 /nfs/dbraw/zinc/28/97/78/607289778.db2.gz VLJKFSNGARCWBH-LRDDRELGSA-N -1 3 342.447 3.608 20 0 EHADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820863871 607289779 /nfs/dbraw/zinc/28/97/79/607289779.db2.gz VLJKFSNGARCWBH-LRDDRELGSA-N -1 3 342.447 3.608 20 0 EHADHM Cc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1C(F)(F)F ZINC000822254696 607310906 /nfs/dbraw/zinc/31/09/06/607310906.db2.gz OYRBYRFEBXWDOA-UHFFFAOYSA-N -1 3 339.346 3.868 20 0 EHADHM Cc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1C(F)(F)F ZINC000822254696 607310907 /nfs/dbraw/zinc/31/09/07/607310907.db2.gz OYRBYRFEBXWDOA-UHFFFAOYSA-N -1 3 339.346 3.868 20 0 EHADHM Fc1cc(-c2nnn[n-]2)ccc1Sc1nc(C(F)(F)F)cs1 ZINC000822748214 607304666 /nfs/dbraw/zinc/30/46/66/607304666.db2.gz NQBFRTZTBHKTSS-UHFFFAOYSA-N -1 3 347.322 3.632 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1Sc1nc(C(F)(F)F)cs1 ZINC000822748214 607304667 /nfs/dbraw/zinc/30/46/67/607304667.db2.gz NQBFRTZTBHKTSS-UHFFFAOYSA-N -1 3 347.322 3.632 20 0 EHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@@H](c1ccccc1)C1CCC1 ZINC000738177665 598254503 /nfs/dbraw/zinc/25/45/03/598254503.db2.gz CHPHJVHGZMEGAJ-KRWDZBQOSA-N -1 3 348.410 3.530 20 0 EHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@@H](c1ccccc1)C1CCC1 ZINC000738177665 598254504 /nfs/dbraw/zinc/25/45/04/598254504.db2.gz CHPHJVHGZMEGAJ-KRWDZBQOSA-N -1 3 348.410 3.530 20 0 EHADHM COc1ccccc1[C@H](C)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737141981 598274126 /nfs/dbraw/zinc/27/41/26/598274126.db2.gz LPDBSNIMBMYZMF-JTQLQIEISA-N -1 3 329.791 3.702 20 0 EHADHM COc1ccccc1[C@H](C)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737141981 598274128 /nfs/dbraw/zinc/27/41/28/598274128.db2.gz LPDBSNIMBMYZMF-JTQLQIEISA-N -1 3 329.791 3.702 20 0 EHADHM Cc1ccc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cc1 ZINC000737342781 598274337 /nfs/dbraw/zinc/27/43/37/598274337.db2.gz PQKIJSFZBZIKMS-UHFFFAOYSA-N -1 3 333.317 3.806 20 0 EHADHM COc1ccccc1CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737152703 598274423 /nfs/dbraw/zinc/27/44/23/598274423.db2.gz NVQJEPPAZSXIIB-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM COc1ccccc1CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737152703 598274424 /nfs/dbraw/zinc/27/44/24/598274424.db2.gz NVQJEPPAZSXIIB-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM CC(C)CN(C(=O)C1CCCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735817544 598295453 /nfs/dbraw/zinc/29/54/53/598295453.db2.gz BXBCHJQIQGJVIZ-UHFFFAOYSA-N -1 3 341.459 3.826 20 0 EHADHM CC(C)CN(C(=O)C1CCCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735817544 598295455 /nfs/dbraw/zinc/29/54/55/598295455.db2.gz BXBCHJQIQGJVIZ-UHFFFAOYSA-N -1 3 341.459 3.826 20 0 EHADHM CC(C)Oc1ccc(CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735913369 598315436 /nfs/dbraw/zinc/31/54/36/598315436.db2.gz BQBZHMGFYSBMGA-UHFFFAOYSA-N -1 3 326.425 3.946 20 0 EHADHM CC(C)Oc1ccc(CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735913369 598315437 /nfs/dbraw/zinc/31/54/37/598315437.db2.gz BQBZHMGFYSBMGA-UHFFFAOYSA-N -1 3 326.425 3.946 20 0 EHADHM CC(C)CN(Cc1cccnc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000735831039 598395203 /nfs/dbraw/zinc/39/52/03/598395203.db2.gz MKKPDHZTNYZZTI-UHFFFAOYSA-N -1 3 342.834 3.578 20 0 EHADHM C[C@H]1C[C@H](CC(=O)N(C)c2cccc(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000736224786 598443672 /nfs/dbraw/zinc/44/36/72/598443672.db2.gz APFYRLVVOQDQHL-UONOGXRCSA-N -1 3 341.459 3.682 20 0 EHADHM C[C@H]1C[C@H](CC(=O)N(C)c2cccc(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000736224786 598443674 /nfs/dbraw/zinc/44/36/74/598443674.db2.gz APFYRLVVOQDQHL-UONOGXRCSA-N -1 3 341.459 3.682 20 0 EHADHM CC(=CC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735449405 598482244 /nfs/dbraw/zinc/48/22/44/598482244.db2.gz XFARJTFAEGRITE-YBEMTRGBSA-N -1 3 334.379 3.574 20 0 EHADHM CC(=CC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735449405 598482245 /nfs/dbraw/zinc/48/22/45/598482245.db2.gz XFARJTFAEGRITE-YBEMTRGBSA-N -1 3 334.379 3.574 20 0 EHADHM CCc1c(C)sc(NC(=O)C[C@H](C)CC(C)C)c1-c1nnn[n-]1 ZINC000736670398 598514112 /nfs/dbraw/zinc/51/41/12/598514112.db2.gz OTXILLGXFJRFEA-SNVBAGLBSA-N -1 3 335.477 3.810 20 0 EHADHM CCc1c(C)sc(NC(=O)C[C@H](C)CC(C)C)c1-c1nn[n-]n1 ZINC000736670398 598514113 /nfs/dbraw/zinc/51/41/13/598514113.db2.gz OTXILLGXFJRFEA-SNVBAGLBSA-N -1 3 335.477 3.810 20 0 EHADHM CCCCOCCCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736459416 598570930 /nfs/dbraw/zinc/57/09/30/598570930.db2.gz BRZHPCJCAVJBGZ-UHFFFAOYSA-N -1 3 343.353 3.504 20 0 EHADHM CCCCOCCCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736459416 598570931 /nfs/dbraw/zinc/57/09/31/598570931.db2.gz BRZHPCJCAVJBGZ-UHFFFAOYSA-N -1 3 343.353 3.504 20 0 EHADHM C[C@H]1C[C@H](CC(=O)Nc2ccccc2-c2nnn[n-]2)CC(C)(C)C1 ZINC000736225482 598571961 /nfs/dbraw/zinc/57/19/61/598571961.db2.gz CPNLXTNGSYUPAK-QWHCGFSZSA-N -1 3 327.432 3.658 20 0 EHADHM C[C@H]1C[C@H](CC(=O)Nc2ccccc2-c2nn[n-]n2)CC(C)(C)C1 ZINC000736225482 598571962 /nfs/dbraw/zinc/57/19/62/598571962.db2.gz CPNLXTNGSYUPAK-QWHCGFSZSA-N -1 3 327.432 3.658 20 0 EHADHM COc1cc(CSc2ccc(-c3nnn[n-]3)cc2)ccc1SC ZINC000737046877 598585187 /nfs/dbraw/zinc/58/51/87/598585187.db2.gz GTPUOVBZJDYIRY-UHFFFAOYSA-N -1 3 344.465 3.890 20 0 EHADHM COc1cc(CSc2ccc(-c3nn[n-]n3)cc2)ccc1SC ZINC000737046877 598585189 /nfs/dbraw/zinc/58/51/89/598585189.db2.gz GTPUOVBZJDYIRY-UHFFFAOYSA-N -1 3 344.465 3.890 20 0 EHADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N1CCC[C@H]1c1cccs1 ZINC000737640628 598592846 /nfs/dbraw/zinc/59/28/46/598592846.db2.gz ZQEJUMUEAGNEDC-LBPRGKRZSA-N -1 3 333.367 3.548 20 0 EHADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N1CCC[C@H]1c1cccs1 ZINC000737640628 598592848 /nfs/dbraw/zinc/59/28/48/598592848.db2.gz ZQEJUMUEAGNEDC-LBPRGKRZSA-N -1 3 333.367 3.548 20 0 EHADHM CC(C)[C@H](CC(=O)Nc1sccc1-c1nnn[n-]1)c1ccccc1 ZINC000735708604 598646452 /nfs/dbraw/zinc/64/64/52/598646452.db2.gz MMAWZHOKGBXSDG-AWEZNQCLSA-N -1 3 341.440 3.697 20 0 EHADHM CC(C)[C@H](CC(=O)Nc1sccc1-c1nn[n-]n1)c1ccccc1 ZINC000735708604 598646453 /nfs/dbraw/zinc/64/64/53/598646453.db2.gz MMAWZHOKGBXSDG-AWEZNQCLSA-N -1 3 341.440 3.697 20 0 EHADHM COc1ccc(F)cc1[C@H](C)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737099954 598653408 /nfs/dbraw/zinc/65/34/08/598653408.db2.gz RBVIRMWLDGBSSO-VIFPVBQESA-N -1 3 347.781 3.841 20 0 EHADHM COc1ccc(F)cc1[C@H](C)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737099954 598653409 /nfs/dbraw/zinc/65/34/09/598653409.db2.gz RBVIRMWLDGBSSO-VIFPVBQESA-N -1 3 347.781 3.841 20 0 EHADHM CCCN(C(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000736473053 598667712 /nfs/dbraw/zinc/66/77/12/598667712.db2.gz XLPQOMUHNRLVHB-UHFFFAOYSA-N -1 3 341.802 3.577 20 0 EHADHM CCCN(C(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000736473053 598667713 /nfs/dbraw/zinc/66/77/13/598667713.db2.gz XLPQOMUHNRLVHB-UHFFFAOYSA-N -1 3 341.802 3.577 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000737639447 598680510 /nfs/dbraw/zinc/68/05/10/598680510.db2.gz BJLSCKBMPKHWOF-ZDUSSCGKSA-N -1 3 343.793 3.653 20 0 EHADHM c1sc(COc2ccccc2)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000738435211 598778539 /nfs/dbraw/zinc/77/85/39/598778539.db2.gz IUURTXMZHSBCBJ-UHFFFAOYSA-N -1 3 335.392 3.569 20 0 EHADHM c1sc(COc2ccccc2)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000738435211 598778541 /nfs/dbraw/zinc/77/85/41/598778541.db2.gz IUURTXMZHSBCBJ-UHFFFAOYSA-N -1 3 335.392 3.569 20 0 EHADHM C[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)[C@H](c2ccco2)C1 ZINC000820727159 599359703 /nfs/dbraw/zinc/35/97/03/599359703.db2.gz HYANMFLDGOHHBW-FZMZJTMJSA-N -1 3 327.363 3.576 20 0 EHADHM C[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)[C@H](c2ccco2)C1 ZINC000820727159 599359706 /nfs/dbraw/zinc/35/97/06/599359706.db2.gz HYANMFLDGOHHBW-FZMZJTMJSA-N -1 3 327.363 3.576 20 0 EHADHM COc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000821835953 599363958 /nfs/dbraw/zinc/36/39/58/599363958.db2.gz VERRCEYWRVTHDZ-SNVBAGLBSA-N -1 3 329.791 3.702 20 0 EHADHM COc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000821835953 599363962 /nfs/dbraw/zinc/36/39/62/599363962.db2.gz VERRCEYWRVTHDZ-SNVBAGLBSA-N -1 3 329.791 3.702 20 0 EHADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1cccc(OC(F)F)c1 ZINC000822128700 599386768 /nfs/dbraw/zinc/38/67/68/599386768.db2.gz FNKZLFDCBVTVBM-UHFFFAOYSA-N -1 3 346.337 3.664 20 0 EHADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccc(Cl)cc1Cl ZINC000820432239 599392902 /nfs/dbraw/zinc/39/29/02/599392902.db2.gz NILMMBHRSKZSHC-MRVPVSSYSA-N -1 3 338.198 3.617 20 0 EHADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccc(Cl)cc1Cl ZINC000820432239 599392905 /nfs/dbraw/zinc/39/29/05/599392905.db2.gz NILMMBHRSKZSHC-MRVPVSSYSA-N -1 3 338.198 3.617 20 0 EHADHM c1c2ccccc2[nH]c1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000738433286 599421881 /nfs/dbraw/zinc/42/18/81/599421881.db2.gz PFZVQUAXYICCER-UHFFFAOYSA-N -1 3 341.378 3.508 20 0 EHADHM c1c2ccccc2[nH]c1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000738433286 599421882 /nfs/dbraw/zinc/42/18/82/599421882.db2.gz PFZVQUAXYICCER-UHFFFAOYSA-N -1 3 341.378 3.508 20 0 EHADHM Cc1ccnc(Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000737436768 599429200 /nfs/dbraw/zinc/42/92/00/599429200.db2.gz LMUBQJDNEXKTQN-UHFFFAOYSA-N -1 3 345.366 3.501 20 0 EHADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1ccc(-c2nn[n-]n2)cc1F ZINC000736237608 599472312 /nfs/dbraw/zinc/47/23/12/599472312.db2.gz YBBUHOJRGHTPER-SMDDNHRTSA-N -1 3 341.365 3.527 20 0 EHADHM CCC(CC)(C(=O)Nc1cc(-c2nnn[n-]2)ccc1C)c1ccccc1 ZINC000820882213 599494094 /nfs/dbraw/zinc/49/40/94/599494094.db2.gz MNPLSCQNBLVVKE-UHFFFAOYSA-N -1 3 349.438 3.872 20 0 EHADHM CCC(CC)(C(=O)Nc1cc(-c2nn[n-]n2)ccc1C)c1ccccc1 ZINC000820882213 599494095 /nfs/dbraw/zinc/49/40/95/599494095.db2.gz MNPLSCQNBLVVKE-UHFFFAOYSA-N -1 3 349.438 3.872 20 0 EHADHM CCOc1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)cc1 ZINC000821422010 599495252 /nfs/dbraw/zinc/49/52/52/599495252.db2.gz JTCPZVKRYAGPFC-UHFFFAOYSA-N -1 3 329.791 3.531 20 0 EHADHM CCOc1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)cc1 ZINC000821422010 599495255 /nfs/dbraw/zinc/49/52/55/599495255.db2.gz JTCPZVKRYAGPFC-UHFFFAOYSA-N -1 3 329.791 3.531 20 0 EHADHM Clc1nc2ccccc2cc1CNc1cccc(-c2nnn[n-]2)c1 ZINC000737583039 599569690 /nfs/dbraw/zinc/56/96/90/599569690.db2.gz IGNCLODWQAUMHK-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM Clc1nc2ccccc2cc1CNc1cccc(-c2nn[n-]n2)c1 ZINC000737583039 599569692 /nfs/dbraw/zinc/56/96/92/599569692.db2.gz IGNCLODWQAUMHK-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM CCCCC[C@@H](C)CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000821043953 599630318 /nfs/dbraw/zinc/63/03/18/599630318.db2.gz WGIPGCPFRBWAEK-GFCCVEGCSA-N -1 3 333.411 3.575 20 0 EHADHM CCCCC[C@@H](C)CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000821043953 599630319 /nfs/dbraw/zinc/63/03/19/599630319.db2.gz WGIPGCPFRBWAEK-GFCCVEGCSA-N -1 3 333.411 3.575 20 0 EHADHM O=C([O-])[C@@H](NCc1ccc(F)c(F)c1)c1ccccc1C(F)(F)F ZINC000739498551 599792173 /nfs/dbraw/zinc/79/21/73/599792173.db2.gz AKAFBAPDXLIXNV-AWEZNQCLSA-N -1 3 345.267 3.899 20 0 EHADHM Cc1oc(C(=O)[O-])cc1CNC1(c2ccc(Cl)cc2)CCOCC1 ZINC000738963903 599803821 /nfs/dbraw/zinc/80/38/21/599803821.db2.gz MVMSKRNKFAVXAT-UHFFFAOYSA-N -1 3 349.814 3.735 20 0 EHADHM COc1ccccc1CC1CCN(Cc2cc(C)c(C(=O)[O-])o2)CC1 ZINC000574883286 599852925 /nfs/dbraw/zinc/85/29/25/599852925.db2.gz DSPXKFUWJAWUGK-UHFFFAOYSA-N -1 3 343.423 3.750 20 0 EHADHM O=C([O-])c1ccc(CN(Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000263566731 599996217 /nfs/dbraw/zinc/99/62/17/599996217.db2.gz GEXQEMSNUGHIIF-INIZCTEOSA-N -1 3 331.437 3.628 20 0 EHADHM COc1ccc(-c2nc(CNC3CCC(C(=O)[O-])CC3)cs2)cc1 ZINC000737910760 600007395 /nfs/dbraw/zinc/00/73/95/600007395.db2.gz BATRJZXLCOUPFL-UHFFFAOYSA-N -1 3 346.452 3.552 20 0 EHADHM CN(CCOc1ccc(Cl)cc1)Cc1ccc(F)cc1C(=O)[O-] ZINC000737449549 600082842 /nfs/dbraw/zinc/08/28/42/600082842.db2.gz RSIAVEKUCUOVDI-UHFFFAOYSA-N -1 3 337.778 3.688 20 0 EHADHM CC[C@@H](NCCOc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC000736917434 600452604 /nfs/dbraw/zinc/45/26/04/600452604.db2.gz MQBUHCAKWJWZSY-QGZVFWFLSA-N -1 3 335.350 3.783 20 0 EHADHM CC(C)c1ccccc1OCCN[C@@H](C(=O)[O-])c1ccccc1F ZINC000827139196 600748697 /nfs/dbraw/zinc/74/86/97/600748697.db2.gz FUWIBZHGUTTWPX-GOSISDBHSA-N -1 3 331.387 3.743 20 0 EHADHM Cc1oc(C(=O)[O-])cc1CN1CCC(Nc2cccc(C)c2)CC1 ZINC000738736823 600796744 /nfs/dbraw/zinc/79/67/44/600796744.db2.gz XGJFCOSNYQKDOK-UHFFFAOYSA-N -1 3 328.412 3.671 20 0 EHADHM Cn1cc([C@H]2CCCN2Cc2c3ccccc3sc2C(=O)[O-])cn1 ZINC000326704649 600825476 /nfs/dbraw/zinc/82/54/76/600825476.db2.gz YJGWAEHRIMPTKZ-OAHLLOKOSA-N -1 3 341.436 3.670 20 0 EHADHM C/C(=C/CN1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1)C(=O)[O-] ZINC000825736414 601156160 /nfs/dbraw/zinc/15/61/60/601156160.db2.gz YJOVEGOEULPQBC-PXNMLYILSA-N -1 3 343.467 3.811 20 0 EHADHM CCc1oc(C(=O)[O-])cc1CN[C@@H](c1ccc(OC)cc1)C1CC1 ZINC000830375244 601411522 /nfs/dbraw/zinc/41/15/22/601411522.db2.gz KBABHMQMHXIAIK-GOSISDBHSA-N -1 3 329.396 3.790 20 0 EHADHM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2)c(OCC2CC2)c1 ZINC000832934318 601494623 /nfs/dbraw/zinc/49/46/23/601494623.db2.gz PYLVXSJKPPPQOU-LJQANCHMSA-N -1 3 325.408 3.699 20 0 EHADHM O=C([O-])c1ccc(CN2CCC(c3ccc(O)cc3)CC2)cc1F ZINC000833312843 601617359 /nfs/dbraw/zinc/61/73/59/601617359.db2.gz IGXXMZVQRVGYSE-UHFFFAOYSA-N -1 3 329.371 3.609 20 0 EHADHM Cc1sc(C(=O)[O-])cc1CN1CCC(Oc2ccc(F)cc2)CC1 ZINC000652404481 601640489 /nfs/dbraw/zinc/64/04/89/601640489.db2.gz ZIKGUTGGRJVZKZ-UHFFFAOYSA-N -1 3 349.427 3.937 20 0 EHADHM O=C([O-])c1ccc(CN2CCC[C@@H]2C[C@H](O)c2cccs2)cc1F ZINC000833313461 601650918 /nfs/dbraw/zinc/65/09/18/601650918.db2.gz WCFRQTFCQKTCBI-CJNGLKHVSA-N -1 3 349.427 3.674 20 0 EHADHM O=C([O-])c1ccc(CN2CCC[C@H]2C[C@H](O)c2cccs2)cc1F ZINC000833313460 601651007 /nfs/dbraw/zinc/65/10/07/601651007.db2.gz WCFRQTFCQKTCBI-BBRMVZONSA-N -1 3 349.427 3.674 20 0 EHADHM C[C@@H](C(=O)[O-])[C@H](NCc1cc2c(c(Cl)c1)OCO2)c1ccccc1 ZINC000826054700 601652535 /nfs/dbraw/zinc/65/25/35/601652535.db2.gz PKOMHBDXTAMWDS-BZNIZROVSA-N -1 3 347.798 3.620 20 0 EHADHM O=C([O-])c1cc(CN[C@H](COc2ccccc2)c2ccccc2)c[nH]1 ZINC000833296782 601833996 /nfs/dbraw/zinc/83/39/96/601833996.db2.gz WPSVRUVSECAVDS-LJQANCHMSA-N -1 3 336.391 3.623 20 0 EHADHM C[C@@]1(C(=O)[O-])CCN(Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000263148767 601921520 /nfs/dbraw/zinc/92/15/20/601921520.db2.gz NMASNUKDSPQOOG-MRXNPFEDSA-N -1 3 336.844 3.760 20 0 EHADHM C[C@@H](NC(=O)CC[C@H](C)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824401294 607540442 /nfs/dbraw/zinc/54/04/42/607540442.db2.gz PMFYAUSXWWTOAL-LSDHHAIUSA-N -1 3 349.438 3.628 20 0 EHADHM C[C@@H](NC(=O)CC[C@H](C)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824401294 607540444 /nfs/dbraw/zinc/54/04/44/607540444.db2.gz PMFYAUSXWWTOAL-LSDHHAIUSA-N -1 3 349.438 3.628 20 0 EHADHM CC(C)c1ccc([C@@H](CNCc2cnn(C(C)C)c2)NC(=O)[O-])cc1 ZINC000738880595 602719246 /nfs/dbraw/zinc/71/92/46/602719246.db2.gz CPSKIGUJWMSGLC-GOSISDBHSA-N -1 3 344.459 3.686 20 0 EHADHM C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1ccc(NC(=O)[O-])nc1 ZINC000825955455 603559608 /nfs/dbraw/zinc/55/96/08/603559608.db2.gz IEXHEJSHUQMGBZ-PIGZYNQJSA-N -1 3 329.375 3.724 20 0 EHADHM Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000830308867 604084493 /nfs/dbraw/zinc/08/44/93/604084493.db2.gz PZFSKVIBPPJYMI-UHFFFAOYSA-N -1 3 345.374 3.538 20 0 EHADHM C[C@@H](c1nc2ccccc2s1)[C@H](C)NCc1ccc(C(=O)[O-])o1 ZINC000827740776 604329510 /nfs/dbraw/zinc/32/95/10/604329510.db2.gz BXAKSAUNGPACFS-MNOVXSKESA-N -1 3 330.409 3.869 20 0 EHADHM C[C@H](Oc1ccc(CN2CCC[C@H]2c2ccsc2)cc1)C(=O)[O-] ZINC000833538515 604534713 /nfs/dbraw/zinc/53/47/13/604534713.db2.gz DBXXNFOTBKLYPT-GUYCJALGSA-N -1 3 331.437 3.937 20 0 EHADHM CC[C@H](C)Oc1cc(CN2CCC(CCC(=O)[O-])CC2)ccc1OC ZINC000665342472 604641124 /nfs/dbraw/zinc/64/11/24/604641124.db2.gz ATAFQFYRMWKQBD-HNNXBMFYSA-N -1 3 349.471 3.949 20 0 EHADHM O=C([O-])c1ccoc1CN1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000833334666 604784368 /nfs/dbraw/zinc/78/43/68/604784368.db2.gz RREKZNCPGIQKNO-LBPRGKRZSA-N -1 3 346.452 3.693 20 0 EHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000392743092 604951551 /nfs/dbraw/zinc/95/15/51/604951551.db2.gz ZAVDXFIVDDRDKN-AWEZNQCLSA-N -1 3 346.402 3.804 20 0 EHADHM Cc1nn(C)cc1[C@@H](C)NC[C@H](NC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000830866454 604973144 /nfs/dbraw/zinc/97/31/44/604973144.db2.gz XFSRXXWCZMGFJL-ACJLOTCBSA-N -1 3 344.459 3.511 20 0 EHADHM Cc1nn(C)cc1[C@H](C)NC[C@H](NC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000830866463 604973172 /nfs/dbraw/zinc/97/31/72/604973172.db2.gz XFSRXXWCZMGFJL-UGSOOPFHSA-N -1 3 344.459 3.511 20 0 EHADHM COc1ccc([C@H]2CCCCCN2Cc2ccc(C(=O)[O-])[nH]2)cc1 ZINC000833731818 605105588 /nfs/dbraw/zinc/10/55/88/605105588.db2.gz CZIWAHUYEVTOMO-GOSISDBHSA-N -1 3 328.412 3.839 20 0 EHADHM C[C@@H](NC(=O)C[C@H]1CCCCC1(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000824479659 607745314 /nfs/dbraw/zinc/74/53/14/607745314.db2.gz PJAFCYJOCDJPHU-CZUORRHYSA-N -1 3 341.459 3.650 20 0 EHADHM C[C@@H](NC(=O)C[C@H]1CCCCC1(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000824479659 607745315 /nfs/dbraw/zinc/74/53/15/607745315.db2.gz PJAFCYJOCDJPHU-CZUORRHYSA-N -1 3 341.459 3.650 20 0 EHADHM C[C@@H](NC(=O)CC1CCC(C)(C)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824479185 607745387 /nfs/dbraw/zinc/74/53/87/607745387.db2.gz MFGDKWXMPHMCTF-CYBMUJFWSA-N -1 3 341.459 3.650 20 0 EHADHM C[C@@H](NC(=O)CC1CCC(C)(C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824479185 607745388 /nfs/dbraw/zinc/74/53/88/607745388.db2.gz MFGDKWXMPHMCTF-CYBMUJFWSA-N -1 3 341.459 3.650 20 0 EHADHM C[C@H](c1cccc(Cl)c1)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000580653876 605293346 /nfs/dbraw/zinc/29/33/46/605293346.db2.gz WLICYUHHLLKLLA-CYBMUJFWSA-N -1 3 333.815 3.996 20 0 EHADHM CC(C)(C)Oc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)cn1 ZINC000833447734 605417747 /nfs/dbraw/zinc/41/77/47/605417747.db2.gz RGWQIRWJZMCSGE-MRXNPFEDSA-N -1 3 348.830 3.828 20 0 EHADHM CCCN(Cc1coc(-c2ccccc2)n1)C1CCN(C(=O)[O-])CC1 ZINC000826917185 605469009 /nfs/dbraw/zinc/46/90/09/605469009.db2.gz ZBRLGYGBKZDQTC-UHFFFAOYSA-N -1 3 343.427 3.696 20 0 EHADHM O=C(c1ccccc1-c1ccccc1-c1nnn[n-]1)N1CCCCCC1 ZINC000823493310 606183822 /nfs/dbraw/zinc/18/38/22/606183822.db2.gz KPIOLMNHAOILIW-UHFFFAOYSA-N -1 3 347.422 3.550 20 0 EHADHM O=C(c1ccccc1-c1ccccc1-c1nn[n-]n1)N1CCCCCC1 ZINC000823493310 606183824 /nfs/dbraw/zinc/18/38/24/606183824.db2.gz KPIOLMNHAOILIW-UHFFFAOYSA-N -1 3 347.422 3.550 20 0 EHADHM C/C=C(\C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000820825725 606281011 /nfs/dbraw/zinc/28/10/11/606281011.db2.gz CGIBIRSWYCFSRF-KGVSQERTSA-N -1 3 335.367 3.564 20 0 EHADHM C/C=C(\C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000820825725 606281012 /nfs/dbraw/zinc/28/10/12/606281012.db2.gz CGIBIRSWYCFSRF-KGVSQERTSA-N -1 3 335.367 3.564 20 0 EHADHM C[C@H](CC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000820225137 606350416 /nfs/dbraw/zinc/35/04/16/606350416.db2.gz BQWQQRHZTBKTKN-KGLIPLIRSA-N -1 3 336.395 3.665 20 0 EHADHM C[C@H](CC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820225137 606350417 /nfs/dbraw/zinc/35/04/17/606350417.db2.gz BQWQQRHZTBKTKN-KGLIPLIRSA-N -1 3 336.395 3.665 20 0 EHADHM COc1ccc([C@@H](C)Nc2cc(Cl)ccc2-c2nnn[n-]2)cc1F ZINC000821778043 606422769 /nfs/dbraw/zinc/42/27/69/606422769.db2.gz SHTAZGWGJBPYOF-SECBINFHSA-N -1 3 347.781 3.841 20 0 EHADHM COc1ccc([C@@H](C)Nc2cc(Cl)ccc2-c2nn[n-]n2)cc1F ZINC000821778043 606422771 /nfs/dbraw/zinc/42/27/71/606422771.db2.gz SHTAZGWGJBPYOF-SECBINFHSA-N -1 3 347.781 3.841 20 0 EHADHM CC[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(C)cc1 ZINC000820937965 606462995 /nfs/dbraw/zinc/46/29/95/606462995.db2.gz FXPWCDWLPQMLIF-ZDUSSCGKSA-N -1 3 328.397 3.545 20 0 EHADHM CC[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(C)cc1 ZINC000820937965 606462996 /nfs/dbraw/zinc/46/29/96/606462996.db2.gz FXPWCDWLPQMLIF-ZDUSSCGKSA-N -1 3 328.397 3.545 20 0 EHADHM CC1CC(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)C1 ZINC000820648975 606618381 /nfs/dbraw/zinc/61/83/81/606618381.db2.gz HCTVPJAQRRWTCF-UHFFFAOYSA-N -1 3 349.394 3.644 20 0 EHADHM CC1CC(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)C1 ZINC000820648975 606618382 /nfs/dbraw/zinc/61/83/82/606618382.db2.gz HCTVPJAQRRWTCF-UHFFFAOYSA-N -1 3 349.394 3.644 20 0 EHADHM CCCC[C@H](CCC)OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821042462 606757031 /nfs/dbraw/zinc/75/70/31/606757031.db2.gz BDWOFMWWKDGXEG-NSHDSACASA-N -1 3 338.358 3.661 20 0 EHADHM CCCC[C@H](CCC)OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821042462 606757034 /nfs/dbraw/zinc/75/70/34/606757034.db2.gz BDWOFMWWKDGXEG-NSHDSACASA-N -1 3 338.358 3.661 20 0 EHADHM COc1cccc([C@H](C)Sc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000821858844 606878204 /nfs/dbraw/zinc/87/82/04/606878204.db2.gz HKSYVXZSSAPLNK-JTQLQIEISA-N -1 3 330.388 3.868 20 0 EHADHM CCOc1ccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)cc1Cl ZINC000821422329 606927104 /nfs/dbraw/zinc/92/71/04/606927104.db2.gz UIDPBRWWAHLQCX-UHFFFAOYSA-N -1 3 347.781 3.670 20 0 EHADHM CCOc1ccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)cc1Cl ZINC000821422329 606927106 /nfs/dbraw/zinc/92/71/06/606927106.db2.gz UIDPBRWWAHLQCX-UHFFFAOYSA-N -1 3 347.781 3.670 20 0 EHADHM O=C1c2ccccc2CCC[C@@H]1Sc1cccc(-c2nnn[n-]2)c1 ZINC000823551692 607012869 /nfs/dbraw/zinc/01/28/69/607012869.db2.gz ZPBNUBMRNATHHP-INIZCTEOSA-N -1 3 336.420 3.547 20 0 EHADHM O=C1c2ccccc2CCC[C@@H]1Sc1cccc(-c2nn[n-]n2)c1 ZINC000823551692 607012871 /nfs/dbraw/zinc/01/28/71/607012871.db2.gz ZPBNUBMRNATHHP-INIZCTEOSA-N -1 3 336.420 3.547 20 0 EHADHM Fc1ccc(-c2nnn[n-]2)c(CSc2c(F)cc(F)cc2F)c1 ZINC000822753081 607039647 /nfs/dbraw/zinc/03/96/47/607039647.db2.gz CIHSCJXIBWUNEL-UHFFFAOYSA-N -1 3 340.305 3.715 20 0 EHADHM Fc1ccc(-c2nn[n-]n2)c(CSc2c(F)cc(F)cc2F)c1 ZINC000822753081 607039649 /nfs/dbraw/zinc/03/96/49/607039649.db2.gz CIHSCJXIBWUNEL-UHFFFAOYSA-N -1 3 340.305 3.715 20 0 EHADHM CC=C(C=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1NCCC)CC ZINC000820831667 607044600 /nfs/dbraw/zinc/04/46/00/607044600.db2.gz AOHCTCCIELBNPH-XQCUBCESSA-N -1 3 340.431 3.540 20 0 EHADHM CC(C)c1nc(CNc2ccc(-c3nn[n-]n3)cc2Cl)cs1 ZINC000820203910 607125626 /nfs/dbraw/zinc/12/56/26/607125626.db2.gz ZKITVUIIINDSLT-UHFFFAOYSA-N -1 3 334.836 3.712 20 0 EHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)C1=CCCC1 ZINC000823357680 607157669 /nfs/dbraw/zinc/15/76/69/607157669.db2.gz YCZOMSPGZFQTMC-UHFFFAOYSA-N -1 3 347.378 3.708 20 0 EHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)C1=CCCC1 ZINC000823357680 607157670 /nfs/dbraw/zinc/15/76/70/607157670.db2.gz YCZOMSPGZFQTMC-UHFFFAOYSA-N -1 3 347.378 3.708 20 0 EHADHM CC(C)n1c2cc(F)ccc2nc1-c1ccc(-c2nnn[n-]2)cc1F ZINC000824371597 607974628 /nfs/dbraw/zinc/97/46/28/607974628.db2.gz LFSAXVKRGXGYLP-UHFFFAOYSA-N -1 3 340.337 3.743 20 0 EHADHM CC(C)n1c2cc(F)ccc2nc1-c1ccc(-c2nn[n-]n2)cc1F ZINC000824371597 607974629 /nfs/dbraw/zinc/97/46/29/607974629.db2.gz LFSAXVKRGXGYLP-UHFFFAOYSA-N -1 3 340.337 3.743 20 0 EHADHM COc1ccc(CSc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000826208143 608097265 /nfs/dbraw/zinc/09/72/65/608097265.db2.gz VUKCNZYASQUAHD-UHFFFAOYSA-N -1 3 332.816 3.821 20 0 EHADHM COc1ccc(CSc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000826208143 608097266 /nfs/dbraw/zinc/09/72/66/608097266.db2.gz VUKCNZYASQUAHD-UHFFFAOYSA-N -1 3 332.816 3.821 20 0 EHADHM CCCC(=CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)CCC ZINC000825218933 608161522 /nfs/dbraw/zinc/16/15/22/608161522.db2.gz GHILSLDMQOWAOF-UHFFFAOYSA-N -1 3 333.823 3.985 20 0 EHADHM CCCC(=CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)CCC ZINC000825218933 608161524 /nfs/dbraw/zinc/16/15/24/608161524.db2.gz GHILSLDMQOWAOF-UHFFFAOYSA-N -1 3 333.823 3.985 20 0 EHADHM C[C@@H](OC(=O)C(C)(C)c1cccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000824706086 608183082 /nfs/dbraw/zinc/18/30/82/608183082.db2.gz GMWLHANRRJLOSB-LLVKDONJSA-N -1 3 342.424 3.510 20 0 EHADHM C[C@@H](OC(=O)C(C)(C)c1cccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000824706086 608183083 /nfs/dbraw/zinc/18/30/83/608183083.db2.gz GMWLHANRRJLOSB-LLVKDONJSA-N -1 3 342.424 3.510 20 0 EHADHM CSc1ccsc1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826231238 608183185 /nfs/dbraw/zinc/18/31/85/608183185.db2.gz CRDWFHWAHCVGFR-VIFPVBQESA-N -1 3 346.437 3.568 20 0 EHADHM CSc1ccsc1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826231238 608183187 /nfs/dbraw/zinc/18/31/87/608183187.db2.gz CRDWFHWAHCVGFR-VIFPVBQESA-N -1 3 346.437 3.568 20 0 EHADHM CCOc1ccc(SCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000825642892 608396433 /nfs/dbraw/zinc/39/64/33/608396433.db2.gz DDWLREABCVMIPK-UHFFFAOYSA-N -1 3 330.388 3.697 20 0 EHADHM CCOc1ccc(SCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000825642892 608396435 /nfs/dbraw/zinc/39/64/35/608396435.db2.gz DDWLREABCVMIPK-UHFFFAOYSA-N -1 3 330.388 3.697 20 0 EHADHM Fc1c(CNc2cccc(C(F)(F)F)c2)cccc1-c1nnn[n-]1 ZINC000826370805 608479597 /nfs/dbraw/zinc/47/95/97/608479597.db2.gz IGAROVRRZPGWTR-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Fc1c(CNc2cccc(C(F)(F)F)c2)cccc1-c1nn[n-]n1 ZINC000826370805 608479599 /nfs/dbraw/zinc/47/95/99/608479599.db2.gz IGAROVRRZPGWTR-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Fc1c(CNc2cccc(Cl)c2Cl)cccc1-c1nnn[n-]1 ZINC000826370745 608479701 /nfs/dbraw/zinc/47/97/01/608479701.db2.gz GEDMRNSGQOBOQO-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM Fc1c(CNc2cccc(Cl)c2Cl)cccc1-c1nn[n-]n1 ZINC000826370745 608479702 /nfs/dbraw/zinc/47/97/02/608479702.db2.gz GEDMRNSGQOBOQO-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM Fc1c(CNc2ccc(C(F)(F)F)cc2)cccc1-c1nnn[n-]1 ZINC000826371074 608479755 /nfs/dbraw/zinc/47/97/55/608479755.db2.gz RDQOUMZCEWLEEA-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Fc1c(CNc2ccc(C(F)(F)F)cc2)cccc1-c1nn[n-]n1 ZINC000826371074 608479756 /nfs/dbraw/zinc/47/97/56/608479756.db2.gz RDQOUMZCEWLEEA-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM C[C@H](NCc1ccc(F)cc1-c1nn[n-]n1)c1c(F)cccc1Cl ZINC000824613901 608552821 /nfs/dbraw/zinc/55/28/21/608552821.db2.gz YBBLVTHQVGTKBP-VIFPVBQESA-N -1 3 349.772 3.649 20 0 EHADHM c1csc(CCCNc2nc3ccccc3cc2-c2nnn[n-]2)c1 ZINC000826526002 608797862 /nfs/dbraw/zinc/79/78/62/608797862.db2.gz HSIJPCBWGAEVBH-UHFFFAOYSA-N -1 3 336.424 3.521 20 0 EHADHM c1csc(CCCNc2nc3ccccc3cc2-c2nn[n-]n2)c1 ZINC000826526002 608797863 /nfs/dbraw/zinc/79/78/63/608797863.db2.gz HSIJPCBWGAEVBH-UHFFFAOYSA-N -1 3 336.424 3.521 20 0 EHADHM CCOc1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000825643247 609180283 /nfs/dbraw/zinc/18/02/83/609180283.db2.gz JHOOUZKFAVMACJ-NSHDSACASA-N -1 3 327.363 3.578 20 0 EHADHM CCOc1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000825643247 609180285 /nfs/dbraw/zinc/18/02/85/609180285.db2.gz JHOOUZKFAVMACJ-NSHDSACASA-N -1 3 327.363 3.578 20 0 EHADHM C[C@H](Nc1cccc(COCC2CC2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662081 609183677 /nfs/dbraw/zinc/18/36/77/609183677.db2.gz BUSXTKMDRCNKRA-AWEZNQCLSA-N -1 3 349.438 3.966 20 0 EHADHM C[C@H](Nc1cccc(COCC2CC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662081 609183679 /nfs/dbraw/zinc/18/36/79/609183679.db2.gz BUSXTKMDRCNKRA-AWEZNQCLSA-N -1 3 349.438 3.966 20 0 EHADHM C[C@@H](Nc1ccccc1OCC(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000824662632 609243381 /nfs/dbraw/zinc/24/33/81/609243381.db2.gz OMBGBIDPFBHOQU-LLVKDONJSA-N -1 3 345.353 3.684 20 0 EHADHM C[C@@H](Nc1ccccc1OCC(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824662632 609243382 /nfs/dbraw/zinc/24/33/82/609243382.db2.gz OMBGBIDPFBHOQU-LLVKDONJSA-N -1 3 345.353 3.684 20 0 EHADHM C[C@@H](Nc1cccc2ccncc21)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824663053 609280020 /nfs/dbraw/zinc/28/00/20/609280020.db2.gz VNLCWFFHKVSQNH-LLVKDONJSA-N -1 3 334.358 3.727 20 0 EHADHM Cc1nc2cc(NCc3ccc(F)c(-c4nnn[n-]4)c3)ccc2s1 ZINC000826328794 609280978 /nfs/dbraw/zinc/28/09/78/609280978.db2.gz CXEXBDGCTKLMSW-UHFFFAOYSA-N -1 3 340.387 3.536 20 0 EHADHM Cc1nc2cc(NCc3ccc(F)c(-c4nn[n-]n4)c3)ccc2s1 ZINC000826328794 609280980 /nfs/dbraw/zinc/28/09/80/609280980.db2.gz CXEXBDGCTKLMSW-UHFFFAOYSA-N -1 3 340.387 3.536 20 0 EHADHM CC[C@H](C)[C@@H](C)N(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C1CC1 ZINC000825059086 609299552 /nfs/dbraw/zinc/29/95/52/609299552.db2.gz CQPLDQFGCKMCKP-WDEREUQCSA-N -1 3 347.850 3.559 20 0 EHADHM CC[C@H](C)[C@@H](C)N(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C1CC1 ZINC000825059086 609299554 /nfs/dbraw/zinc/29/95/54/609299554.db2.gz CQPLDQFGCKMCKP-WDEREUQCSA-N -1 3 347.850 3.559 20 0 EHADHM C[C@@H](NCc1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000824606552 609332159 /nfs/dbraw/zinc/33/21/59/609332159.db2.gz QAGUSUABLFBGFV-SECBINFHSA-N -1 3 349.772 3.649 20 0 EHADHM C[C@@H](NCc1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000824606552 609332161 /nfs/dbraw/zinc/33/21/61/609332161.db2.gz QAGUSUABLFBGFV-SECBINFHSA-N -1 3 349.772 3.649 20 0 EHADHM COc1ccc(-c2nnn[n-]2)cc1NCc1cc2ccccc2s1 ZINC000826186476 609483779 /nfs/dbraw/zinc/48/37/79/609483779.db2.gz UQBMOGLWWRIPFQ-UHFFFAOYSA-N -1 3 337.408 3.702 20 0 EHADHM COc1ccc(-c2nn[n-]n2)cc1NCc1cc2ccccc2s1 ZINC000826186476 609483781 /nfs/dbraw/zinc/48/37/81/609483781.db2.gz UQBMOGLWWRIPFQ-UHFFFAOYSA-N -1 3 337.408 3.702 20 0 EHADHM Cc1ccc2oc(S[C@H](C)c3ccc(-c4nnn[n-]4)cc3)nc2n1 ZINC000826295323 609492717 /nfs/dbraw/zinc/49/27/17/609492717.db2.gz CBYZJLCOTATZBA-SNVBAGLBSA-N -1 3 338.396 3.565 20 0 EHADHM Cc1ccc2oc(S[C@H](C)c3ccc(-c4nn[n-]n4)cc3)nc2n1 ZINC000826295323 609492719 /nfs/dbraw/zinc/49/27/19/609492719.db2.gz CBYZJLCOTATZBA-SNVBAGLBSA-N -1 3 338.396 3.565 20 0 EHADHM CC(=Cc1ccccc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000755833350 945268052 /nfs/dbraw/zinc/26/80/52/945268052.db2.gz JXMVVQCCCCNXKY-KHPPLWFESA-N -1 3 339.786 3.562 20 0 EHADHM CC(=Cc1ccccc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000755833350 945268057 /nfs/dbraw/zinc/26/80/57/945268057.db2.gz JXMVVQCCCCNXKY-KHPPLWFESA-N -1 3 339.786 3.562 20 0 EHADHM CC(=O)c1ccc(-c2nnn[n-]2)c(N[C@H]2CCCc3ccccc32)c1 ZINC000824014533 946549923 /nfs/dbraw/zinc/54/99/23/946549923.db2.gz KKCHSZJJAFELHG-KRWDZBQOSA-N -1 3 333.395 3.559 20 0 EHADHM CC(=O)c1ccc(-c2nn[n-]n2)c(N[C@H]2CCCc3ccccc32)c1 ZINC000824014533 946549934 /nfs/dbraw/zinc/54/99/34/946549934.db2.gz KKCHSZJJAFELHG-KRWDZBQOSA-N -1 3 333.395 3.559 20 0 EHADHM C[C@@H](Nc1nccc2ccc(F)cc21)c1cccc(-c2nnn[n-]2)c1 ZINC000824670641 946888977 /nfs/dbraw/zinc/88/89/77/946888977.db2.gz STWWDDMKPMPHCD-LLVKDONJSA-N -1 3 334.358 3.727 20 0 EHADHM C[C@@H](Nc1nccc2ccc(F)cc21)c1cccc(-c2nn[n-]n2)c1 ZINC000824670641 946888992 /nfs/dbraw/zinc/88/89/92/946888992.db2.gz STWWDDMKPMPHCD-LLVKDONJSA-N -1 3 334.358 3.727 20 0 EHADHM Cc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c(Cl)c1C ZINC000826282315 947812959 /nfs/dbraw/zinc/81/29/59/947812959.db2.gz IPMFJNWVFDRSGK-UHFFFAOYSA-N -1 3 345.765 3.528 20 0 EHADHM Cc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c(Cl)c1C ZINC000826282315 947812967 /nfs/dbraw/zinc/81/29/67/947812967.db2.gz IPMFJNWVFDRSGK-UHFFFAOYSA-N -1 3 345.765 3.528 20 0 EHADHM Clc1cccc(SCCCCCn2cccn2)c1-c1nnn[n-]1 ZINC000826353527 948103475 /nfs/dbraw/zinc/10/34/75/948103475.db2.gz SWMCMIFPJZRTJI-UHFFFAOYSA-N -1 3 348.863 3.679 20 0 EHADHM Clc1cccc(SCCCCCn2cccn2)c1-c1nn[n-]n1 ZINC000826353527 948103481 /nfs/dbraw/zinc/10/34/81/948103481.db2.gz SWMCMIFPJZRTJI-UHFFFAOYSA-N -1 3 348.863 3.679 20 0 EHADHM C[C@H]1CCC[C@H](C(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)C1 ZINC001576151339 949222499 /nfs/dbraw/zinc/22/24/99/949222499.db2.gz GOSINLBDSCVTIV-FZMZJTMJSA-N -1 3 325.416 3.509 20 0 EHADHM C[C@H]1CCC[C@H](C(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)C1 ZINC001576151339 949222519 /nfs/dbraw/zinc/22/25/19/949222519.db2.gz GOSINLBDSCVTIV-FZMZJTMJSA-N -1 3 325.416 3.509 20 0 EHADHM O=C([O-])c1ccc(CN[C@H]2c3ccccc3CC[C@@H]2n2ccnc2)cc1 ZINC001595232077 949353875 /nfs/dbraw/zinc/35/38/75/949353875.db2.gz FKFIKZNQMFXVOQ-PMACEKPBSA-N -1 3 347.418 3.600 20 0 EHADHM C[C@H]1CCCC[C@H]1C(=O)N(c1ccccc1-c1nnn[n-]1)C1CCC1 ZINC001576173013 949834483 /nfs/dbraw/zinc/83/44/83/949834483.db2.gz WMJOXQDPUDSZEF-DZGCQCFKSA-N -1 3 339.443 3.579 20 0 EHADHM C[C@H]1CCCC[C@H]1C(=O)N(c1ccccc1-c1nn[n-]n1)C1CCC1 ZINC001576173013 949834501 /nfs/dbraw/zinc/83/45/01/949834501.db2.gz WMJOXQDPUDSZEF-DZGCQCFKSA-N -1 3 339.443 3.579 20 0 EHADHM CC(C)(C)CCCCC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001573844617 950201801 /nfs/dbraw/zinc/20/18/01/950201801.db2.gz KSNQFIFHWUAVOA-UHFFFAOYSA-N -1 3 337.374 3.690 20 0 EHADHM CC(C)(C)CCCCC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001573844617 950201811 /nfs/dbraw/zinc/20/18/11/950201811.db2.gz KSNQFIFHWUAVOA-UHFFFAOYSA-N -1 3 337.374 3.690 20 0 EHADHM C[C@@H](c1cccc(Br)c1)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263332549 950376311 /nfs/dbraw/zinc/37/63/11/950376311.db2.gz LVRLMCZNRWHWEN-MDZLAQPJSA-N -1 3 326.234 3.553 20 0 EHADHM COc1ccc([C@@H](C)NCc2cccc(C(=O)[O-])c2)c(C)c1OC ZINC000263382929 950424713 /nfs/dbraw/zinc/42/47/13/950424713.db2.gz CDAZFGSAWHKBTA-CYBMUJFWSA-N -1 3 329.396 3.561 20 0 EHADHM CC[C@@H](NCc1cccc(C(=O)[O-])c1)c1cccc(OC)c1OC ZINC000874044518 956103262 /nfs/dbraw/zinc/10/32/62/956103262.db2.gz DBMHHISPDSXWKM-MRXNPFEDSA-N -1 3 329.396 3.643 20 0 EHADHM CC(C)[C@H](NCc1coc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)[O-] ZINC001603099750 972174002 /nfs/dbraw/zinc/17/40/02/972174002.db2.gz RRBCZDLYSNWTOQ-ZDUSSCGKSA-N -1 3 342.317 3.559 20 0 EHADHM CCc1onc(C)c1CN1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000923240259 957103936 /nfs/dbraw/zinc/10/39/36/957103936.db2.gz UCZGNVKPBDXSDK-UHFFFAOYSA-N -1 3 328.412 3.623 20 0 EHADHM O=C([O-])c1ccccc1OCCN(Cc1cccc(F)c1)C1CC1 ZINC000183913920 959454671 /nfs/dbraw/zinc/45/46/71/959454671.db2.gz 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/nfs/dbraw/zinc/32/65/93/974326593.db2.gz JHORNFULSQSAKI-AWEZNQCLSA-N -1 3 338.245 3.841 20 0 EHADHM CC(C)Oc1cccc(CN(C)CCOc2cccc(C(=O)[O-])c2)c1 ZINC000519821606 974336154 /nfs/dbraw/zinc/33/61/54/974336154.db2.gz CLFMLWHRSZZUGI-UHFFFAOYSA-N -1 3 343.423 3.683 20 0 EHADHM O=C([O-])[C@H](c1ccc(Cl)c(Cl)c1)N1CCC2(C1)CCOCC2 ZINC000568065950 974658267 /nfs/dbraw/zinc/65/82/67/974658267.db2.gz LOBVOYASKUCVTN-AWEZNQCLSA-N -1 3 344.238 3.622 20 0 EHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(OCCc2ccccc2)CC1 ZINC000571691864 974734304 /nfs/dbraw/zinc/73/43/04/974734304.db2.gz QIEBTESVRZWEPC-OAHLLOKOSA-N -1 3 343.423 3.763 20 0 EHADHM CC(C)c1nc(CN2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cs1 ZINC000574525780 974783996 /nfs/dbraw/zinc/78/39/96/974783996.db2.gz NYUOGFBWKCUJFC-HZPDHXFCSA-N -1 3 330.453 3.567 20 0 EHADHM C[C@@]1(C(=O)[O-])CCCN(Cc2cc(-c3ccccc3Cl)on2)C1 ZINC000579016546 974867479 /nfs/dbraw/zinc/86/74/79/974867479.db2.gz VMZZGMIFCKRXRK-QGZVFWFLSA-N -1 3 334.803 3.682 20 0 EHADHM O=C([O-])c1cccc(OCCN2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000583267673 974938682 /nfs/dbraw/zinc/93/86/82/974938682.db2.gz DMXLEHIGJQRLED-SFHVURJKSA-N -1 3 329.371 3.740 20 0 EHADHM Cc1oc(-c2cccs2)nc1CN1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC000629373760 975089126 /nfs/dbraw/zinc/08/91/26/975089126.db2.gz OTPFBDCKYJCHGJ-VNHYZAJKSA-N -1 3 346.452 3.787 20 0 EHADHM O=C([O-])[C@@H]1CN(CCc2nsc3ccccc32)Cc2ccccc21 ZINC000662227521 975909679 /nfs/dbraw/zinc/90/96/79/975909679.db2.gz UFPIVUYCGPWOHR-MRXNPFEDSA-N -1 3 338.432 3.523 20 0 EHADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc(Cl)nc(Cl)c1 ZINC000773910659 978745035 /nfs/dbraw/zinc/74/50/35/978745035.db2.gz MRXBWTPEUHCMKO-WOPDTQHZSA-N -1 3 329.227 3.606 20 0 EHADHM COc1ccc(-c2ccccc2)cc1CN[C@H]1CCCN(C(=O)[O-])C1 ZINC000832115882 979040020 /nfs/dbraw/zinc/04/00/20/979040020.db2.gz AXHONOOCOJNBDR-SFHVURJKSA-N -1 3 340.423 3.594 20 0 EHADHM Cc1ccc(CN(C)CCOc2ccc(/C=C\C(=O)[O-])cc2)s1 ZINC000846243429 979419910 /nfs/dbraw/zinc/41/99/10/979419910.db2.gz BJMYHIYZHAMEKZ-POHAHGRESA-N -1 3 331.437 3.665 20 0 EHADHM C[C@H]1CN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)C[C@H](C)S1 ZINC000859782779 979628941 /nfs/dbraw/zinc/62/89/41/979628941.db2.gz AKSYEHIHSCQPBX-STQMWFEESA-N -1 3 331.437 3.971 20 0 EHADHM O=C([O-])CC1(NCc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000901482901 980309870 /nfs/dbraw/zinc/30/98/70/980309870.db2.gz YSRNUXSJDMVZFW-UHFFFAOYSA-N -1 3 328.393 3.653 20 0 EHADHM CC[C@H](N[C@@H]1CCCn2nc(C(=O)[O-])cc21)c1cccc(Cl)c1 ZINC001595282484 980342850 /nfs/dbraw/zinc/34/28/50/980342850.db2.gz FOUNJELPTDPVAI-UONOGXRCSA-N -1 3 333.819 3.811 20 0 EHADHM COc1ccc(C(=O)[O-])c2c1CN(CCc1cc(C)cc(C)c1)CC2 ZINC000901553115 980378254 /nfs/dbraw/zinc/37/82/54/980378254.db2.gz YWDKHQNXCHRBRW-UHFFFAOYSA-N -1 3 339.435 3.611 20 0 EHADHM C[C@@H](CN(Cc1scnc1C1CC1)Cc1ccccc1)C(=O)[O-] ZINC000901578012 980389848 /nfs/dbraw/zinc/38/98/48/980389848.db2.gz GYEIDASQLMTFHG-ZDUSSCGKSA-N -1 3 330.453 3.743 20 0 EHADHM CC[C@](NCc1cncc(OC)c1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000901874160 980589012 /nfs/dbraw/zinc/58/90/12/980589012.db2.gz WISKEFJYORUUNR-GOSISDBHSA-N -1 3 348.830 3.532 20 0 EHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)(C)C)cc2)cc1 ZINC000005332487 1014670447 /nfs/dbraw/zinc/67/04/47/1014670447.db2.gz NKZKJIVPCMOLGC-UHFFFAOYSA-N -1 3 346.452 3.780 20 0 EHADHM CC[C@@](CNCc1csc(C2CC2)n1)(C(=O)[O-])c1ccccc1 ZINC000901897960 980609226 /nfs/dbraw/zinc/60/92/26/980609226.db2.gz NIVCMBZUUGFWCE-SFHVURJKSA-N -1 3 330.453 3.543 20 0 EHADHM C[C@@H](CN[C@@H](C)c1ncc(C(=O)[O-])s1)c1cc(F)cc(F)c1 ZINC000901909344 980622364 /nfs/dbraw/zinc/62/23/64/980622364.db2.gz YNSQNLHMJXQTCI-IUCAKERBSA-N -1 3 326.368 3.574 20 0 EHADHM O=C([O-])/C=C/c1ccc(CN2CCC(Cc3ccccc3F)CC2)o1 ZINC000902372279 980859253 /nfs/dbraw/zinc/85/92/53/980859253.db2.gz JMOLSFBUWQTIFS-BQYQJAHWSA-N -1 3 343.398 3.971 20 0 EHADHM CC1(C)CC[C@H](CNCc2ccc(-c3ccc(C(=O)[O-])cc3)o2)O1 ZINC000902445776 980891298 /nfs/dbraw/zinc/89/12/98/980891298.db2.gz ZPNTVLYARYDBPI-MRXNPFEDSA-N -1 3 329.396 3.692 20 0 EHADHM CC1(C)CC[C@@H](CNCc2ccc(-c3ccccc3C(=O)[O-])o2)OC1 ZINC000902508323 980914667 /nfs/dbraw/zinc/91/46/67/980914667.db2.gz ZSYIWHRHWLIGOQ-AWEZNQCLSA-N -1 3 343.423 3.940 20 0 EHADHM CCC1CCC(NCc2coc(-c3ccccc3F)n2)(C(=O)[O-])CC1 ZINC001595428781 981049660 /nfs/dbraw/zinc/04/96/60/981049660.db2.gz WWKRJEOTWTUVJC-UHFFFAOYSA-N -1 3 346.402 3.994 20 0 EHADHM Cc1oc(C(=O)[O-])cc1CN1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC000905773867 981148673 /nfs/dbraw/zinc/14/86/73/981148673.db2.gz IGHOIWOSKYZZHC-FQEVSTJZSA-N -1 3 339.391 3.727 20 0 EHADHM CCCC1CCC(N(C)CC(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC001595620792 981693133 /nfs/dbraw/zinc/69/31/33/981693133.db2.gz UGDAJEZBCLZUNB-UHFFFAOYSA-N -1 3 332.444 3.614 20 0 EHADHM CCCCn1cc(CN[C@H]2CCCc3ccc(C(=O)[O-])cc32)c(C)n1 ZINC001595805607 982632319 /nfs/dbraw/zinc/63/23/19/982632319.db2.gz YZPXJKSSQOBOLN-IBGZPJMESA-N -1 3 341.455 3.857 20 0 EHADHM CC[C@H](C)CN(C)[C@H](C(=O)[O-])c1cc(OC)ccc1Br ZINC001594960602 982711171 /nfs/dbraw/zinc/71/11/71/982711171.db2.gz IZRDTTXAHMGUII-HZMBPMFUSA-N -1 3 344.249 3.561 20 0 EHADHM CCCN(C)Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001595839885 982757601 /nfs/dbraw/zinc/75/76/01/982757601.db2.gz ZUZYHTYLDWJNFR-UHFFFAOYSA-N -1 3 342.226 3.719 20 0 EHADHM CCCOc1ccc(C(C)(C)NCc2cc(C)c(C(=O)[O-])[nH]2)cc1 ZINC001595954301 983136187 /nfs/dbraw/zinc/13/61/87/983136187.db2.gz CJZOOZMRZFCLCQ-UHFFFAOYSA-N -1 3 330.428 3.835 20 0 EHADHM CSc1nc2ccc(NC([O-])=NO[C@H]3CCCCO3)cc2s1 ZINC000274782579 1015095199 /nfs/dbraw/zinc/09/51/99/1015095199.db2.gz DZYKGVQEORYADG-LBPRGKRZSA-N -1 3 339.442 3.598 20 0 EHADHM CSc1nc2ccc(NC(=O)[N-]O[C@H]3CCCCO3)cc2s1 ZINC000274782579 1015095210 /nfs/dbraw/zinc/09/52/10/1015095210.db2.gz DZYKGVQEORYADG-LBPRGKRZSA-N -1 3 339.442 3.598 20 0 EHADHM CCO[C@@H]1C[C@](NCc2cc(Cl)ccc2Cl)(C(=O)[O-])C1(C)C ZINC001596838936 985512745 /nfs/dbraw/zinc/51/27/45/985512745.db2.gz QIPFULSXKQCXOG-CJNGLKHVSA-N -1 3 346.254 3.741 20 0 EHADHM COc1cccc2[nH]cc(CC(=O)Nc3cc(Cl)ccc3[O-])c21 ZINC000182595583 1032112630 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/nfs/dbraw/zinc/34/57/92/1133345792.db2.gz VGRMEBSQXVYJOQ-KKUMJFAQSA-N -1 3 333.476 3.787 20 0 EHADHM CCc1cccc(C(=O)N[C@@H](c2ccccc2)C2CCOCC2)c1[O-] ZINC000769859019 1133352020 /nfs/dbraw/zinc/35/20/20/1133352020.db2.gz KFDGIBULJZDFOW-IBGZPJMESA-N -1 3 339.435 3.852 20 0 EHADHM CC(C)c1ccc(C(=O)N[C@@H](C)[C@H](O)c2ccc(F)cc2)c([O-])c1 ZINC000770039200 1133380963 /nfs/dbraw/zinc/38/09/63/1133380963.db2.gz PEIXDFWVPXIHLM-SGTLLEGYSA-N -1 3 331.387 3.507 20 0 EHADHM C[C@H](NCc1ccc([O-])c(F)c1F)[C@@H]1OCCc2sccc21 ZINC001182173543 1133575850 /nfs/dbraw/zinc/57/58/50/1133575850.db2.gz JQCSJJKAYPNIII-FVMDXXJSSA-N -1 3 325.380 3.524 20 0 EHADHM C[C@@H](NCc1ccc([O-])c(F)c1F)[C@H]1OCCc2sccc21 ZINC001182173544 1133576292 /nfs/dbraw/zinc/57/62/92/1133576292.db2.gz JQCSJJKAYPNIII-JDNHERCYSA-N -1 3 325.380 3.524 20 0 EHADHM C[C@@H](CC(=O)Nc1n[n-]c(CC(=O)c2ccccc2)n1)CC(C)(C)C ZINC001182171432 1133582900 /nfs/dbraw/zinc/58/29/00/1133582900.db2.gz CIBVXAGQKWEENH-ZDUSSCGKSA-N -1 3 342.443 3.631 20 0 EHADHM 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349.818 3.546 20 0 EHADHM CCc1ccc(C(=O)Nc2nc(CN(CC)CC)cs2)c([O-])c1 ZINC000786817497 1133910282 /nfs/dbraw/zinc/91/02/82/1133910282.db2.gz YLWKNOBBBODEBO-UHFFFAOYSA-N -1 3 333.457 3.505 20 0 EHADHM CCc1ccc(C(=O)Nc2ccc(SC(=O)N(C)C)cc2)c([O-])c1 ZINC000786888045 1133916335 /nfs/dbraw/zinc/91/63/35/1133916335.db2.gz SAYYAEZGCXPDOZ-UHFFFAOYSA-N -1 3 344.436 3.981 20 0 EHADHM Cc1ccc([O-])c(NC(=O)Nc2ccc(Br)cc2C)n1 ZINC001184791397 1133991102 /nfs/dbraw/zinc/99/11/02/1133991102.db2.gz VPXQBQMNOANUGA-UHFFFAOYSA-N -1 3 336.189 3.811 20 0 EHADHM O=S(=O)([N-]c1ccc(C(F)(F)F)nc1Cl)c1ccsc1 ZINC001185341876 1134075139 /nfs/dbraw/zinc/07/51/39/1134075139.db2.gz KEJFVXDXDHPBMQ-UHFFFAOYSA-N -1 3 342.751 3.616 20 0 EHADHM COc1cc([N-]S(=O)(=O)c2ccsc2)c(Cl)cc1Cl ZINC001185382891 1134075894 /nfs/dbraw/zinc/07/58/94/1134075894.db2.gz OODDPGFCZIMNAF-UHFFFAOYSA-N -1 3 338.237 3.864 20 0 EHADHM O=C(Nc1ccc2c(c1)OCCO2)c1cc2sccc2c([O-])c1 ZINC000788260439 1134102452 /nfs/dbraw/zinc/10/24/52/1134102452.db2.gz ATKAKCNAYDMSGC-UHFFFAOYSA-N -1 3 327.361 3.630 20 0 EHADHM O=C(Nc1nnc(C(F)(F)F)s1)c1cc2sccc2c([O-])c1 ZINC000788274934 1134106555 /nfs/dbraw/zinc/10/65/55/1134106555.db2.gz CRFVMNPPMALBJL-UHFFFAOYSA-N -1 3 345.327 3.730 20 0 EHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc([C@@H]3C[C@@H]3C)o2)sc1Cl ZINC001185613379 1134113763 /nfs/dbraw/zinc/11/37/63/1134113763.db2.gz AKAKIMZYESUUOG-GZMMTYOYSA-N -1 3 345.873 3.905 20 0 EHADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(Cl)c(F)cc1F ZINC001185829563 1134138498 /nfs/dbraw/zinc/13/84/98/1134138498.db2.gz UESPTKGTELMZHK-UHFFFAOYSA-N -1 3 335.734 3.867 20 0 EHADHM CC(=O)c1cccc([O-])c1NC(=O)C1(c2ccc3ncccc3c2)CC1 ZINC001186090835 1134168893 /nfs/dbraw/zinc/16/88/93/1134168893.db2.gz AMQHYVIRELGNHW-UHFFFAOYSA-N -1 3 346.386 3.813 20 0 EHADHM CSc1cc(C)nc(SC)c1NC(=O)c1ccc([O-])c(F)c1 ZINC001186202194 1134180521 /nfs/dbraw/zinc/18/05/21/1134180521.db2.gz LHKVGJJLBFZKRK-UHFFFAOYSA-N -1 3 338.429 3.931 20 0 EHADHM C[C@@H]1CC(C)(C)c2cccc(NC(=O)c3ccccc3-c3nnn[n-]3)c21 ZINC001187009656 1134281445 /nfs/dbraw/zinc/28/14/45/1134281445.db2.gz RURWQYDYNRSQKA-GFCCVEGCSA-N -1 3 347.422 3.904 20 0 EHADHM C[C@@H]1CC(C)(C)c2cccc(NC(=O)c3ccccc3-c3nn[n-]n3)c21 ZINC001187009656 1134281448 /nfs/dbraw/zinc/28/14/48/1134281448.db2.gz RURWQYDYNRSQKA-GFCCVEGCSA-N -1 3 347.422 3.904 20 0 EHADHM CC1(C)C([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1(C)C ZINC001187854416 1134390188 /nfs/dbraw/zinc/39/01/88/1134390188.db2.gz QTGBXPKWQFSPKB-UHFFFAOYSA-N -1 3 339.354 3.557 20 0 EHADHM O=C(Cc1cccc(F)c1F)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000746939226 1134450932 /nfs/dbraw/zinc/45/09/32/1134450932.db2.gz VHBJDMXHNCOAFL-UHFFFAOYSA-N -1 3 345.267 3.774 20 0 EHADHM Cc1cccc([O-])c1C(=O)N1CCC2(CC1)O[C@@H](C)c1ccccc12 ZINC001188648435 1134486301 /nfs/dbraw/zinc/48/63/01/1134486301.db2.gz JJBVWIUKMZVVKI-HNNXBMFYSA-N -1 3 337.419 3.923 20 0 EHADHM C[C@H](CNC(=O)c1cc2sccc2c([O-])c1)Oc1ccccc1F ZINC000791377337 1134537621 /nfs/dbraw/zinc/53/76/21/1134537621.db2.gz RGMCAPAZWOOPND-LLVKDONJSA-N -1 3 345.395 3.943 20 0 EHADHM O=C(NCC1(CCO)CCCCC1)c1cc2sccc2c([O-])c1 ZINC000791383481 1134537943 /nfs/dbraw/zinc/53/79/43/1134537943.db2.gz BOWLXGNICAEGBY-UHFFFAOYSA-N -1 3 333.453 3.670 20 0 EHADHM Cc1ccc2c([N-]S(=O)(=O)Cc3cc(F)ccc3F)cccc2n1 ZINC001189690072 1134614544 /nfs/dbraw/zinc/61/45/44/1134614544.db2.gz IYVNZWJXEABXCR-UHFFFAOYSA-N -1 3 348.374 3.763 20 0 EHADHM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1csc2cnccc12 ZINC001189781568 1134626753 /nfs/dbraw/zinc/62/67/53/1134626753.db2.gz DXXXYVKWEALCKZ-UHFFFAOYSA-N -1 3 340.376 3.516 20 0 EHADHM O=C(NC[C@H]1COc2ccccc2C1)c1cc([O-])c2ccccc2c1 ZINC000792031624 1134646088 /nfs/dbraw/zinc/64/60/88/1134646088.db2.gz VYFFMDNFPWZNPU-AWEZNQCLSA-N -1 3 333.387 3.527 20 0 EHADHM O=C(NCCCOc1ccccc1F)c1cc([O-])c2ccccc2c1 ZINC000792034243 1134648298 /nfs/dbraw/zinc/64/82/98/1134648298.db2.gz WOYCNMSSSNFHAO-UHFFFAOYSA-N -1 3 339.366 3.883 20 0 EHADHM O=C(Nc1ccc(F)c([O-])c1)c1ccc(Br)nc1Cl ZINC001190059963 1134653777 /nfs/dbraw/zinc/65/37/77/1134653777.db2.gz AQHMTQCSMIZPQL-UHFFFAOYSA-N -1 3 345.555 3.595 20 0 EHADHM CC(=O)c1cccc([O-])c1NC(=O)c1ccccc1-c1c(C)n[nH]c1C ZINC001190168418 1134667161 /nfs/dbraw/zinc/66/71/61/1134667161.db2.gz WZGXVOHXSYFURU-UHFFFAOYSA-N -1 3 349.390 3.854 20 0 EHADHM O=C(N[C@@H]1CC[C@@H]2SCCS[C@@H]12)c1cc([O-])c2ccccc2c1 ZINC000792287003 1134673762 /nfs/dbraw/zinc/67/37/62/1134673762.db2.gz OMXNIKIBUQUXOS-PVAVHDDUSA-N -1 3 345.489 3.655 20 0 EHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1F)c1ccc(C)cc1 ZINC001190401556 1134691488 /nfs/dbraw/zinc/69/14/88/1134691488.db2.gz KDEAZJUFZAXPAG-CQSZACIVSA-N -1 3 343.370 3.842 20 0 EHADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)cc(F)c2F)c2ccccc21 ZINC001190410917 1134695928 /nfs/dbraw/zinc/69/59/28/1134695928.db2.gz JFPMMUOOHUWBDE-YMTOWFKASA-N -1 3 341.354 3.631 20 0 EHADHM Cc1ccccc1C(C)(C)[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190419538 1134697516 /nfs/dbraw/zinc/69/75/16/1134697516.db2.gz HTBIOOUWCXEDQX-UHFFFAOYSA-N -1 3 343.370 3.626 20 0 EHADHM Cc1nc(S(=O)(=O)[N-]CC2=CCCCC2)c(-c2ccccc2)s1 ZINC001190828059 1134756572 /nfs/dbraw/zinc/75/65/72/1134756572.db2.gz DCAIEQUDRVJLLS-UHFFFAOYSA-N -1 3 348.493 3.897 20 0 EHADHM CC1(C)CCC[C@@H](C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001191394083 1134854773 /nfs/dbraw/zinc/85/47/73/1134854773.db2.gz FTXKFJDCUDQBJG-SNVBAGLBSA-N -1 3 335.391 3.599 20 0 EHADHM O=S(=O)(CC1CCCC1)[N-]c1cc(Cl)ncc1C(F)(F)F ZINC001191481351 1134871282 /nfs/dbraw/zinc/87/12/82/1134871282.db2.gz NVIBDKBJVGEZEW-UHFFFAOYSA-N -1 3 342.770 3.686 20 0 EHADHM Cc1noc([N-]C(=O)Nc2c(C(C)C)cccc2C(C)C)c1C(N)=O ZINC001191615406 1134890770 /nfs/dbraw/zinc/89/07/70/1134890770.db2.gz DLOYQFQNTHYXBX-UHFFFAOYSA-N -1 3 344.415 3.973 20 0 EHADHM CCCc1cc(C(=O)Nc2cc(F)c([O-])cc2C(=O)OC)ccc1F ZINC001191982754 1134946771 /nfs/dbraw/zinc/94/67/71/1134946771.db2.gz JTOXCWAPKMCRNP-UHFFFAOYSA-N -1 3 349.333 3.662 20 0 EHADHM Cc1cc(NC(=O)Nc2ncc([O-])cc2Br)ccc1F ZINC001192356519 1135004173 /nfs/dbraw/zinc/00/41/73/1135004173.db2.gz 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[O-]c1cc(F)c(CN2CCC3(CC(OCC4CC4)C3)CC2)cc1F ZINC001144654163 1137323090 /nfs/dbraw/zinc/32/30/90/1137323090.db2.gz BJEBQNLIUKOWMN-UHFFFAOYSA-N -1 3 337.410 3.842 20 0 EHADHM CCn1cc(CN(C(=O)c2cc([O-])c3ccccc3c2)C(C)C)cn1 ZINC000846477789 1137353420 /nfs/dbraw/zinc/35/34/20/1137353420.db2.gz KOLOQMBKUWRYBY-UHFFFAOYSA-N -1 3 337.423 3.813 20 0 EHADHM CC[C@@H](C)c1ccc([C@H](C)NCc2nc3c(c(=O)[n-]2)COCC3)cc1 ZINC000866630767 1137371431 /nfs/dbraw/zinc/37/14/31/1137371431.db2.gz VZMSGBHXJBKMDJ-KGLIPLIRSA-N -1 3 341.455 3.619 20 0 EHADHM COc1cccc(C(=O)Nc2cc(C)cc(C(F)(F)F)c2)c1[O-] ZINC001148201724 1137420424 /nfs/dbraw/zinc/42/04/24/1137420424.db2.gz FZRLTWZCLIICCY-UHFFFAOYSA-N -1 3 325.286 3.980 20 0 EHADHM CC(C)c1ccc(C(=O)Nc2ncc([O-])cc2Br)cc1 ZINC001148320229 1137422908 /nfs/dbraw/zinc/42/29/08/1137422908.db2.gz VNKHZSMVHOJPRT-UHFFFAOYSA-N -1 3 335.201 3.925 20 0 EHADHM Cc1ccc(C(=O)Nc2c(C)cc(C)nc2Br)c([O-])c1 ZINC001148491785 1137426755 /nfs/dbraw/zinc/42/67/55/1137426755.db2.gz ATZQWCKIJKTCSY-UHFFFAOYSA-N -1 3 335.201 3.727 20 0 EHADHM CC(=O)c1ccc(C(=O)NC[C@]2(c3ccccc3)CC2(C)C)cc1[O-] ZINC001148588709 1137428989 /nfs/dbraw/zinc/42/89/89/1137428989.db2.gz WFMWDHAYGACGNB-NRFANRHFSA-N -1 3 337.419 3.693 20 0 EHADHM CCCC[C@H](CC)COCCCNC(=O)c1ccc([O-])c(C(C)=O)c1 ZINC001148668847 1137431624 /nfs/dbraw/zinc/43/16/24/1137431624.db2.gz LBFPGFICLPQILK-INIZCTEOSA-N -1 3 349.471 3.948 20 0 EHADHM CC(=O)c1cc(C(=O)N[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2c2ccccc2)ccc1[O-] ZINC001148671418 1137431638 /nfs/dbraw/zinc/43/16/38/1137431638.db2.gz VAMONIOHVYKTGU-GQSCTRQFSA-N -1 3 349.430 3.907 20 0 EHADHM Cc1ccc(C(=O)Nc2ccc(Oc3cccnn3)cc2)c([O-])c1C ZINC001148870981 1137436581 /nfs/dbraw/zinc/43/65/81/1137436581.db2.gz DRWCVCWUYNSNSC-UHFFFAOYSA-N -1 3 335.363 3.844 20 0 EHADHM O=C([N-]c1cc(F)cc(F)c1F)c1cnc(-c2ccccn2)s1 ZINC000348138865 1137448177 /nfs/dbraw/zinc/44/81/77/1137448177.db2.gz LDIFVGDDAYLRMX-UHFFFAOYSA-N -1 3 335.310 3.875 20 0 EHADHM C[C@H](Cn1ccc2ccccc21)C(=O)[N-]OCCCC(F)(F)F ZINC000871216242 1137527721 /nfs/dbraw/zinc/52/77/21/1137527721.db2.gz URCHQTWGFBTEPD-GFCCVEGCSA-N -1 3 328.334 3.668 20 0 EHADHM COc1ccc([C@H](NCc2cccc(OC(C)(C)C)c2)C(=O)[O-])cc1 ZINC000871883689 1137562429 /nfs/dbraw/zinc/56/24/29/1137562429.db2.gz VBUMKPMOPMDDBG-SFHVURJKSA-N -1 3 343.423 3.788 20 0 EHADHM COc1cc([C@H](C)N[C@@H](C)c2cccc([O-])c2F)cc(OC)c1OC ZINC000872022954 1137565417 /nfs/dbraw/zinc/56/54/17/1137565417.db2.gz NVIDDOIOWDZCBH-RYUDHWBXSA-N -1 3 349.402 3.969 20 0 EHADHM C[C@H](N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1cccc([O-])c1F ZINC000872051563 1137568138 /nfs/dbraw/zinc/56/81/38/1137568138.db2.gz LIKGRVBUVQJPKF-IINYFYTJSA-N -1 3 343.320 3.934 20 0 EHADHM C[C@H](NCc1ccncc1OCC(F)(F)F)c1cccc([O-])c1F ZINC000872069234 1137569472 /nfs/dbraw/zinc/56/94/72/1137569472.db2.gz NKPDDYRRPLBCKC-JTQLQIEISA-N -1 3 344.308 3.718 20 0 EHADHM C[C@@]1(Cc2ccc(F)c(F)c2)CCCN1Cc1cc(C(=O)[O-])co1 ZINC000872163191 1137574757 /nfs/dbraw/zinc/57/47/57/1137574757.db2.gz ZJUGNRXGMJFEPY-SFHVURJKSA-N -1 3 335.350 3.853 20 0 EHADHM CN1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)c2cc(F)ccc21 ZINC001137066921 1137588721 /nfs/dbraw/zinc/58/87/21/1137588721.db2.gz HQRDHJOXPHJITC-UHFFFAOYSA-N -1 3 340.398 3.507 20 0 EHADHM O=C1[N-]C(=O)C(=CNc2ccc(Cl)c3cccnc23)c2ccccc21 ZINC000874045343 1137609760 /nfs/dbraw/zinc/60/97/60/1137609760.db2.gz WISSHHPKWDIIDG-UVTDQMKNSA-N -1 3 349.777 3.611 20 0 EHADHM CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000874834430 1137624371 /nfs/dbraw/zinc/62/43/71/1137624371.db2.gz RXUVWIAQPCOJKV-DLBZAZTESA-N -1 3 344.842 3.508 20 0 EHADHM COc1cc([N-]C(=O)c2cc(C(C)C)no2)c2nccc(OC)c2c1 ZINC000874866764 1137625178 /nfs/dbraw/zinc/62/51/78/1137625178.db2.gz IQPMGRRFXLOZQX-UHFFFAOYSA-N -1 3 341.367 3.616 20 0 EHADHM CC1(C)C[C@@H](NC(=O)c2cc([O-])cc(Br)c2)CCS1 ZINC000888792600 1137762134 /nfs/dbraw/zinc/76/21/34/1137762134.db2.gz OHUFFLCXCPIDJE-NSHDSACASA-N -1 3 344.274 3.559 20 0 EHADHM Cc1ccc([C@H]2CCCCN2C(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000128902443 1137804683 /nfs/dbraw/zinc/80/46/83/1137804683.db2.gz NZGFGSNMUJIASE-GOSISDBHSA-N -1 3 347.418 3.599 20 0 EHADHM CC(C)(C[N-]C(=O)C(F)(F)c1c(F)cccc1F)CC(F)F ZINC000881536471 1137809415 /nfs/dbraw/zinc/80/94/15/1137809415.db2.gz FURRYTZJDRBTSV-UHFFFAOYSA-N -1 3 327.268 3.854 20 0 EHADHM O=C(c1ccccc1[O-])N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000108941246 1137890720 /nfs/dbraw/zinc/89/07/20/1137890720.db2.gz LJRFSJSNRFRQCA-INIZCTEOSA-N -1 3 349.390 3.810 20 0 EHADHM COc1ccc(N[C@H]2CCCc3ccccc32)cc1[N-]S(C)(=O)=O ZINC000112521407 1137908335 /nfs/dbraw/zinc/90/83/35/1137908335.db2.gz PKLRDGTTWCBJCI-INIZCTEOSA-N -1 3 346.452 3.556 20 0 EHADHM Cc1ccc(SCC(F)(F)F)c([N-]C(=O)c2cnsn2)c1 ZINC000134906055 1137961529 /nfs/dbraw/zinc/96/15/29/1137961529.db2.gz KSEGTCXCEVHHNB-UHFFFAOYSA-N -1 3 333.360 3.753 20 0 EHADHM O=C(NCC[C@@H]1CCC2(CCC2)O1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000886051018 1138035450 /nfs/dbraw/zinc/03/54/50/1138035450.db2.gz PZIOSBYMKAMSJC-AWEZNQCLSA-N -1 3 343.345 3.633 20 0 EHADHM Cc1ccc([O-])c(C(=O)Nc2ccccc2NC(=O)N2CCCC2)c1 ZINC000094015827 1138243509 /nfs/dbraw/zinc/24/35/09/1138243509.db2.gz UTHITFNHHQCVLR-UHFFFAOYSA-N -1 3 339.395 3.581 20 0 EHADHM CCc1cc(=O)[n-]c(CSCC(=O)Nc2c(C)cc(C)cc2C)n1 ZINC000125782073 1138316084 /nfs/dbraw/zinc/31/60/84/1138316084.db2.gz GAOWLKJIEDBMAO-UHFFFAOYSA-N -1 3 345.468 3.542 20 0 EHADHM Cc1c(C(=O)[N-]c2nnc(C(F)F)s2)sc2nccc(C)c12 ZINC000336889023 1138421757 /nfs/dbraw/zinc/42/17/57/1138421757.db2.gz LWELSUCZELAQLW-UHFFFAOYSA-N -1 3 340.380 3.955 20 0 EHADHM CC(C)(C)Oc1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000337391525 1138554031 /nfs/dbraw/zinc/55/40/31/1138554031.db2.gz HETRKLLXYLANRJ-UHFFFAOYSA-N -1 3 328.347 3.527 20 0 EHADHM CCN(c1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cn1)C(C)C ZINC000338053005 1138734896 /nfs/dbraw/zinc/73/48/96/1138734896.db2.gz DUDRBYLKTHMVFL-UHFFFAOYSA-N -1 3 333.819 3.928 20 0 EHADHM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ncccc1[O-] ZINC000338083407 1138745047 /nfs/dbraw/zinc/74/50/47/1138745047.db2.gz KEHQCBJHRRXXPX-QMMMGPOBSA-N -1 3 327.167 3.500 20 0 EHADHM C[C@@H](CC(=O)[N-]OCc1cccnc1)c1ccc(Br)cc1 ZINC000152436577 1139091278 /nfs/dbraw/zinc/09/12/78/1139091278.db2.gz UJCKDQCGSJUODZ-LBPRGKRZSA-N -1 3 349.228 3.586 20 0 EHADHM CC(=O)c1cc(F)c([N-]C(=O)c2cnc(CC3CC3)s2)c(F)c1 ZINC000889728118 1139260669 /nfs/dbraw/zinc/26/06/69/1139260669.db2.gz FFZLNASMYYCUGU-UHFFFAOYSA-N -1 3 336.363 3.829 20 0 EHADHM CCc1cc(=O)[n-]c(CN[C@@H](CC)c2ccccc2OC(F)F)n1 ZINC000179715710 1139777308 /nfs/dbraw/zinc/77/73/08/1139777308.db2.gz SQEBQGUCCMMHRR-ZDUSSCGKSA-N -1 3 337.370 3.587 20 0 EHADHM Cc1nc(C)c([C@@H](C)N(C)Cc2cc(=O)oc3cc([O-])ccc23)s1 ZINC000182251286 1139960927 /nfs/dbraw/zinc/96/09/27/1139960927.db2.gz ZPQPGWMKJCPVQS-LLVKDONJSA-N -1 3 344.436 3.765 20 0 EHADHM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000268925208 1141026934 /nfs/dbraw/zinc/02/69/34/1141026934.db2.gz VVGDTLUCXCOXDD-ROUUACIJSA-N -1 3 342.439 3.606 20 0 EHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccc(F)cc2)C(C)C)c1 ZINC000270022874 1141168672 /nfs/dbraw/zinc/16/86/72/1141168672.db2.gz DXVNHAVTPATDLO-UHFFFAOYSA-N -1 3 344.386 3.541 20 0 EHADHM Cc1c(Cl)cc(NC(=O)NCc2ncccc2[O-])cc1Cl ZINC000348730093 1141572384 /nfs/dbraw/zinc/57/23/84/1141572384.db2.gz YDQYEBIFFJBZME-UHFFFAOYSA-N -1 3 326.183 3.724 20 0 EHADHM C[C@@H]1CCCN(Cc2cc(C(=O)[O-])ccc2Br)[C@@H]1C ZINC000675072862 564112755 /nfs/dbraw/zinc/11/27/55/564112755.db2.gz IWKFKPFZTSGAJJ-GHMZBOCLSA-N -1 3 326.234 3.768 20 0 EHADHM CN(Cc1cc(C(=O)[O-])ccc1Br)C1CCCCC1 ZINC000675074012 564112971 /nfs/dbraw/zinc/11/29/71/564112971.db2.gz WHVDREKAVLFQEX-UHFFFAOYSA-N -1 3 326.234 3.912 20 0 EHADHM CC(C)(C)CCCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000735602359 598855093 /nfs/dbraw/zinc/85/50/93/598855093.db2.gz MXEIKRIPRPEDIS-UHFFFAOYSA-N -1 3 328.342 3.519 20 0 EHADHM CC(C)(C)CCCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000735602359 598855095 /nfs/dbraw/zinc/85/50/95/598855095.db2.gz MXEIKRIPRPEDIS-UHFFFAOYSA-N -1 3 328.342 3.519 20 0 EHADHM CC[C@@H](CC1CCCC1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736350074 598903543 /nfs/dbraw/zinc/90/35/43/598903543.db2.gz LCYDMTZFVUGBFV-ZFWWWQNUSA-N -1 3 341.459 3.650 20 0 EHADHM CC[C@@H](CC1CCCC1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736350074 598903545 /nfs/dbraw/zinc/90/35/45/598903545.db2.gz LCYDMTZFVUGBFV-ZFWWWQNUSA-N -1 3 341.459 3.650 20 0 EHADHM C/C=C/c1ccc(Oc2ncc(-c3nnn[n-]3)cc2Cl)c(OC)c1 ZINC000736305836 598934325 /nfs/dbraw/zinc/93/43/25/598934325.db2.gz XDJCHYDAAMJCKU-ONEGZZNKSA-N -1 3 343.774 3.749 20 0 EHADHM C/C=C/c1ccc(Oc2ncc(-c3nn[n-]n3)cc2Cl)c(OC)c1 ZINC000736305836 598934326 /nfs/dbraw/zinc/93/43/26/598934326.db2.gz XDJCHYDAAMJCKU-ONEGZZNKSA-N -1 3 343.774 3.749 20 0 EHADHM Clc1cc(-c2nnn[n-]2)cnc1Sc1nc2ccccc2s1 ZINC000737559595 598934975 /nfs/dbraw/zinc/93/49/75/598934975.db2.gz ZTWJMSKUCLWTOM-UHFFFAOYSA-N -1 3 346.828 3.676 20 0 EHADHM Clc1cc(-c2nn[n-]n2)cnc1Sc1nc2ccccc2s1 ZINC000737559595 598934977 /nfs/dbraw/zinc/93/49/77/598934977.db2.gz ZTWJMSKUCLWTOM-UHFFFAOYSA-N -1 3 346.828 3.676 20 0 EHADHM C[C@H](c1ccc(Cl)cc1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736200462 598936753 /nfs/dbraw/zinc/93/67/53/598936753.db2.gz SJQDIVQPWREVMW-SECBINFHSA-N -1 3 349.225 3.766 20 0 EHADHM C[C@H](c1ccc(Cl)cc1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736200462 598936754 /nfs/dbraw/zinc/93/67/54/598936754.db2.gz SJQDIVQPWREVMW-SECBINFHSA-N -1 3 349.225 3.766 20 0 EHADHM Cc1ccccc1C[C@@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC000737428444 598943188 /nfs/dbraw/zinc/94/31/88/598943188.db2.gz XGZSZYUZESIMCT-HNNXBMFYSA-N -1 3 337.402 3.526 20 0 EHADHM Cc1ccccc1C[C@@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC000737428444 598943190 /nfs/dbraw/zinc/94/31/90/598943190.db2.gz XGZSZYUZESIMCT-HNNXBMFYSA-N -1 3 337.402 3.526 20 0 EHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2C[C@H]2C2CCCCC2)s1 ZINC000736678436 599071688 /nfs/dbraw/zinc/07/16/88/599071688.db2.gz CFFYQZPWHIADPN-STQMWFEESA-N -1 3 345.472 3.646 20 0 EHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2C[C@H]2C2CCCCC2)s1 ZINC000736678436 599071691 /nfs/dbraw/zinc/07/16/91/599071691.db2.gz CFFYQZPWHIADPN-STQMWFEESA-N -1 3 345.472 3.646 20 0 EHADHM CS[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000821950142 599073213 /nfs/dbraw/zinc/07/32/13/599073213.db2.gz LBMSSCMMNOOUOJ-WPRPVWTQSA-N -1 3 343.378 3.582 20 0 EHADHM CS[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000821950142 599073215 /nfs/dbraw/zinc/07/32/15/599073215.db2.gz LBMSSCMMNOOUOJ-WPRPVWTQSA-N -1 3 343.378 3.582 20 0 EHADHM C[C@@H](CCO)SCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000735986718 599108577 /nfs/dbraw/zinc/10/85/77/599108577.db2.gz PNZCHMJGBFUUGH-ZDUSSCGKSA-N -1 3 340.452 3.538 20 0 EHADHM C[C@@H](CCO)SCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000735986718 599108579 /nfs/dbraw/zinc/10/85/79/599108579.db2.gz PNZCHMJGBFUUGH-ZDUSSCGKSA-N -1 3 340.452 3.538 20 0 EHADHM Fc1cc2cccnc2c(CSc2ccccc2-c2nnn[n-]2)c1 ZINC000737644729 599111935 /nfs/dbraw/zinc/11/19/35/599111935.db2.gz LCLRAOQRFOHFBF-UHFFFAOYSA-N -1 3 337.383 3.846 20 0 EHADHM Fc1cc2cccnc2c(CSc2ccccc2-c2nn[n-]n2)c1 ZINC000737644729 599111936 /nfs/dbraw/zinc/11/19/36/599111936.db2.gz LCLRAOQRFOHFBF-UHFFFAOYSA-N -1 3 337.383 3.846 20 0 EHADHM CCN(C(=O)/C=C(\C)C(C)(C)C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821146894 599143727 /nfs/dbraw/zinc/14/37/27/599143727.db2.gz ALEMDQQFLZEKRH-XTZCOPOCSA-N -1 3 341.459 3.769 20 0 EHADHM CCN(C(=O)/C=C(\C)C(C)(C)C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821146894 599143730 /nfs/dbraw/zinc/14/37/30/599143730.db2.gz ALEMDQQFLZEKRH-XTZCOPOCSA-N -1 3 341.459 3.769 20 0 EHADHM Cc1ccc2[nH]c(C(=O)Nc3cc(-c4nnn[n-]4)ccc3C)cc2c1C ZINC000737294375 599200770 /nfs/dbraw/zinc/20/07/70/599200770.db2.gz MSYDJDGVNIYKOZ-UHFFFAOYSA-N -1 3 346.394 3.526 20 0 EHADHM Cc1ccc2[nH]c(C(=O)Nc3cc(-c4nn[n-]n4)ccc3C)cc2c1C ZINC000737294375 599200772 /nfs/dbraw/zinc/20/07/72/599200772.db2.gz MSYDJDGVNIYKOZ-UHFFFAOYSA-N -1 3 346.394 3.526 20 0 EHADHM Cc1c(NC(=O)Cc2cccc3ccccc32)cccc1-c1nnn[n-]1 ZINC000822076093 607268180 /nfs/dbraw/zinc/26/81/80/607268180.db2.gz LORJJYPAAAVKRZ-UHFFFAOYSA-N -1 3 343.390 3.510 20 0 EHADHM Cc1c(NC(=O)Cc2cccc3ccccc32)cccc1-c1nn[n-]n1 ZINC000822076093 607268181 /nfs/dbraw/zinc/26/81/81/607268181.db2.gz LORJJYPAAAVKRZ-UHFFFAOYSA-N -1 3 343.390 3.510 20 0 EHADHM CC1(C)CCC(NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000820590039 599249583 /nfs/dbraw/zinc/24/95/83/599249583.db2.gz PNEKEXWVYKGSRX-UHFFFAOYSA-N -1 3 348.838 3.610 20 0 EHADHM CC1(C)CCC(NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000820590039 599249585 /nfs/dbraw/zinc/24/95/85/599249585.db2.gz PNEKEXWVYKGSRX-UHFFFAOYSA-N -1 3 348.838 3.610 20 0 EHADHM Clc1cc2cccnc2c(NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822568261 607311796 /nfs/dbraw/zinc/31/17/96/607311796.db2.gz NWKUYJFSDYKYRY-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM Clc1cc2cccnc2c(NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822568261 607311797 /nfs/dbraw/zinc/31/17/97/607311797.db2.gz NWKUYJFSDYKYRY-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM Cc1cnc(-c2cccc(NCc3ccc(-c4nnn[n-]4)s3)c2)o1 ZINC000822389428 607317344 /nfs/dbraw/zinc/31/73/44/607317344.db2.gz VYSVWFFIKAVSMY-UHFFFAOYSA-N -1 3 338.396 3.504 20 0 EHADHM Cc1cc(NCc2ccc(-c3nnn[n-]3)s2)ccc1OC(C)C ZINC000822209675 607318558 /nfs/dbraw/zinc/31/85/58/607318558.db2.gz RNHJVLGJOILZKR-UHFFFAOYSA-N -1 3 329.429 3.636 20 0 EHADHM Cc1nc(CSc2ccc(-c3nnn[n-]3)cc2Cl)sc1C ZINC000826326499 607844717 /nfs/dbraw/zinc/84/47/17/607844717.db2.gz SBAPUFKRMGDDML-UHFFFAOYSA-N -1 3 337.861 3.886 20 0 EHADHM Cc1nc(CSc2ccc(-c3nn[n-]n3)cc2Cl)sc1C ZINC000826326499 607844718 /nfs/dbraw/zinc/84/47/18/607844718.db2.gz SBAPUFKRMGDDML-UHFFFAOYSA-N -1 3 337.861 3.886 20 0 EHADHM CC/C=C(\C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736409968 598232043 /nfs/dbraw/zinc/23/20/43/598232043.db2.gz IVMOQRIGZNRGFF-WLRTZDKTSA-N -1 3 349.394 3.954 20 0 EHADHM CC/C=C(\C)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736409968 598232044 /nfs/dbraw/zinc/23/20/44/598232044.db2.gz IVMOQRIGZNRGFF-WLRTZDKTSA-N -1 3 349.394 3.954 20 0 EHADHM CC(C)[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)Nc1ccccc1 ZINC000735707030 598236641 /nfs/dbraw/zinc/23/66/41/598236641.db2.gz FSTLRGRFDGGEJF-MRXNPFEDSA-N -1 3 340.406 3.554 20 0 EHADHM CC(C)[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)Nc1ccccc1 ZINC000735707030 598236643 /nfs/dbraw/zinc/23/66/43/598236643.db2.gz FSTLRGRFDGGEJF-MRXNPFEDSA-N -1 3 340.406 3.554 20 0 EHADHM CN(C(=O)CCCC1CCCCC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736732180 598281335 /nfs/dbraw/zinc/28/13/35/598281335.db2.gz KXYUTYANUUCWET-UHFFFAOYSA-N -1 3 345.422 3.719 20 0 EHADHM CN(C(=O)CCCC1CCCCC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736732180 598281337 /nfs/dbraw/zinc/28/13/37/598281337.db2.gz KXYUTYANUUCWET-UHFFFAOYSA-N -1 3 345.422 3.719 20 0 EHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1CCCCCC1 ZINC000736480590 598295317 /nfs/dbraw/zinc/29/53/17/598295317.db2.gz SNHSXXAXWQFGKM-UHFFFAOYSA-N -1 3 341.459 3.576 20 0 EHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1CCCCCC1 ZINC000736480590 598295318 /nfs/dbraw/zinc/29/53/18/598295318.db2.gz SNHSXXAXWQFGKM-UHFFFAOYSA-N -1 3 341.459 3.576 20 0 EHADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@H]1CCSc2ccccc21 ZINC000737559406 598390184 /nfs/dbraw/zinc/39/01/84/598390184.db2.gz WKXNYPPWWZKDFV-LBPRGKRZSA-N -1 3 344.831 3.564 20 0 EHADHM Clc1cc(-c2nn[n-]n2)cnc1N[C@H]1CCSc2ccccc21 ZINC000737559406 598390186 /nfs/dbraw/zinc/39/01/86/598390186.db2.gz WKXNYPPWWZKDFV-LBPRGKRZSA-N -1 3 344.831 3.564 20 0 EHADHM Cc1ccc(-c2cc(COc3ccc(-c4nn[n-]n4)cc3C)on2)cc1 ZINC000737288938 598395215 /nfs/dbraw/zinc/39/52/15/598395215.db2.gz QOBFGHCYOYJOCD-UHFFFAOYSA-N -1 3 347.378 3.718 20 0 EHADHM CSc1ccc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737193462 598486593 /nfs/dbraw/zinc/48/65/93/598486593.db2.gz SDHDLPPZSPBRQO-LLVKDONJSA-N -1 3 340.408 3.507 20 0 EHADHM CSc1ccc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737193462 598486594 /nfs/dbraw/zinc/48/65/94/598486594.db2.gz SDHDLPPZSPBRQO-LLVKDONJSA-N -1 3 340.408 3.507 20 0 EHADHM C[C@H](CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735975669 598491213 /nfs/dbraw/zinc/49/12/13/598491213.db2.gz IFYDCUXWSWUQMB-KGLIPLIRSA-N -1 3 336.395 3.665 20 0 EHADHM C[C@H](CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735975669 598491214 /nfs/dbraw/zinc/49/12/14/598491214.db2.gz IFYDCUXWSWUQMB-KGLIPLIRSA-N -1 3 336.395 3.665 20 0 EHADHM c1ccc2c(c1)nccc2SCCOc1cccc(-c2nnn[n-]2)c1 ZINC000738418963 598504793 /nfs/dbraw/zinc/50/47/93/598504793.db2.gz KGBGBSMNZGRXGC-UHFFFAOYSA-N -1 3 349.419 3.586 20 0 EHADHM c1ccc2c(c1)nccc2SCCOc1cccc(-c2nn[n-]n2)c1 ZINC000738418963 598504794 /nfs/dbraw/zinc/50/47/94/598504794.db2.gz KGBGBSMNZGRXGC-UHFFFAOYSA-N -1 3 349.419 3.586 20 0 EHADHM O=C1c2ccccc2CCC[C@@H]1Sc1ccc(-c2nnn[n-]2)cc1 ZINC000738313714 598582887 /nfs/dbraw/zinc/58/28/87/598582887.db2.gz LNSSYXSFVZACAS-INIZCTEOSA-N -1 3 336.420 3.547 20 0 EHADHM O=C1c2ccccc2CCC[C@@H]1Sc1ccc(-c2nn[n-]n2)cc1 ZINC000738313714 598582889 /nfs/dbraw/zinc/58/28/89/598582889.db2.gz LNSSYXSFVZACAS-INIZCTEOSA-N -1 3 336.420 3.547 20 0 EHADHM Fc1ccc(NCc2ccc(C(F)(F)F)cc2)c(-c2nnn[n-]2)c1 ZINC000737656872 598632670 /nfs/dbraw/zinc/63/26/70/598632670.db2.gz QIJMHNMIINDEBA-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Fc1ccc(NCc2ccc(C(F)(F)F)cc2)c(-c2nn[n-]n2)c1 ZINC000737656872 598632672 /nfs/dbraw/zinc/63/26/72/598632672.db2.gz QIJMHNMIINDEBA-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Fc1ccc(CSc2c(F)cc(F)cc2F)c(-c2nnn[n-]2)c1 ZINC000737645276 598645962 /nfs/dbraw/zinc/64/59/62/598645962.db2.gz VNKDOJZNMOTYNP-UHFFFAOYSA-N -1 3 340.305 3.715 20 0 EHADHM Fc1ccc(CSc2c(F)cc(F)cc2F)c(-c2nn[n-]n2)c1 ZINC000737645276 598645963 /nfs/dbraw/zinc/64/59/63/598645963.db2.gz VNKDOJZNMOTYNP-UHFFFAOYSA-N -1 3 340.305 3.715 20 0 EHADHM O=c1[nH]c2ccccc2cc1CSCc1cccc(-c2nnn[n-]2)c1 ZINC000738371371 598713456 /nfs/dbraw/zinc/71/34/56/598713456.db2.gz JJJSVOFVSMNLLY-UHFFFAOYSA-N -1 3 349.419 3.554 20 0 EHADHM O=c1[nH]c2ccccc2cc1CSCc1cccc(-c2nn[n-]n2)c1 ZINC000738371371 598713458 /nfs/dbraw/zinc/71/34/58/598713458.db2.gz JJJSVOFVSMNLLY-UHFFFAOYSA-N -1 3 349.419 3.554 20 0 EHADHM Fc1ccc([C@@H]2CCCN2c2cccc(F)c2-c2nnn[n-]2)cc1F ZINC000737647146 598795834 /nfs/dbraw/zinc/79/58/34/598795834.db2.gz BZDYBRNSRLCOFS-AWEZNQCLSA-N -1 3 345.328 3.626 20 0 EHADHM Fc1ccc([C@@H]2CCCN2c2cccc(F)c2-c2nn[n-]n2)cc1F ZINC000737647146 598795835 /nfs/dbraw/zinc/79/58/35/598795835.db2.gz BZDYBRNSRLCOFS-AWEZNQCLSA-N -1 3 345.328 3.626 20 0 EHADHM CCCN(c1ncccc1-c1nnn[n-]1)[C@H](C)c1cc2ccccc2o1 ZINC000736479228 598815493 /nfs/dbraw/zinc/81/54/93/598815493.db2.gz FBDDNMBRTMMIGS-CYBMUJFWSA-N -1 3 348.410 3.986 20 0 EHADHM CCCN(c1ncccc1-c1nn[n-]n1)[C@H](C)c1cc2ccccc2o1 ZINC000736479228 598815494 /nfs/dbraw/zinc/81/54/94/598815494.db2.gz FBDDNMBRTMMIGS-CYBMUJFWSA-N -1 3 348.410 3.986 20 0 EHADHM CC=CC=CC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736302854 598821002 /nfs/dbraw/zinc/82/10/02/598821002.db2.gz HNCGHBHARQBNHD-CRBCFSCISA-N -1 3 347.378 3.730 20 0 EHADHM CC=CC=CC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736302854 598821003 /nfs/dbraw/zinc/82/10/03/598821003.db2.gz HNCGHBHARQBNHD-CRBCFSCISA-N -1 3 347.378 3.730 20 0 EHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1coc2ccccc12 ZINC000738151479 598822085 /nfs/dbraw/zinc/82/20/85/598822085.db2.gz IVYKFOODCQWMEC-UHFFFAOYSA-N -1 3 339.742 3.519 20 0 EHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1coc2ccccc12 ZINC000738151479 598822086 /nfs/dbraw/zinc/82/20/86/598822086.db2.gz IVYKFOODCQWMEC-UHFFFAOYSA-N -1 3 339.742 3.519 20 0 EHADHM CC(C)[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)c1ccccc1 ZINC000820032442 599348563 /nfs/dbraw/zinc/34/85/63/599348563.db2.gz NUNKAPCZTNASND-KRWDZBQOSA-N -1 3 338.436 3.866 20 0 EHADHM CC(C)[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)c1ccccc1 ZINC000820032442 599348566 /nfs/dbraw/zinc/34/85/66/599348566.db2.gz NUNKAPCZTNASND-KRWDZBQOSA-N -1 3 338.436 3.866 20 0 EHADHM CCS[C@@H]1CCCCN(c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000736667080 599435799 /nfs/dbraw/zinc/43/57/99/599435799.db2.gz UQLUMNCXFYEMCN-GFCCVEGCSA-N -1 3 337.880 3.632 20 0 EHADHM CCS[C@@H]1CCCCN(c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000736667080 599435800 /nfs/dbraw/zinc/43/58/00/599435800.db2.gz UQLUMNCXFYEMCN-GFCCVEGCSA-N -1 3 337.880 3.632 20 0 EHADHM COc1ccc2cc(CNc3ccc(F)cc3-c3nnn[n-]3)ccc2c1 ZINC000821853929 599467616 /nfs/dbraw/zinc/46/76/16/599467616.db2.gz CYWHLJMLLUSABZ-UHFFFAOYSA-N -1 3 349.369 3.780 20 0 EHADHM COc1ccc2cc(CNc3ccc(F)cc3-c3nn[n-]n3)ccc2c1 ZINC000821853929 599467617 /nfs/dbraw/zinc/46/76/17/599467617.db2.gz CYWHLJMLLUSABZ-UHFFFAOYSA-N -1 3 349.369 3.780 20 0 EHADHM Fc1ccc(NCc2csc3ccccc23)c(-c2nnn[n-]2)c1 ZINC000822782821 599481841 /nfs/dbraw/zinc/48/18/41/599481841.db2.gz IEGXLFULPJOPCH-UHFFFAOYSA-N -1 3 325.372 3.833 20 0 EHADHM Fc1ccc(NCc2csc3ccccc23)c(-c2nn[n-]n2)c1 ZINC000822782821 599481843 /nfs/dbraw/zinc/48/18/43/599481843.db2.gz IEGXLFULPJOPCH-UHFFFAOYSA-N -1 3 325.372 3.833 20 0 EHADHM Fc1cccc2c1CC[C@H]2Nc1c(Cl)cccc1-c1nnn[n-]1 ZINC000822791909 599494563 /nfs/dbraw/zinc/49/45/63/599494563.db2.gz MVKPNSNLZLZRIB-CQSZACIVSA-N -1 3 329.766 3.759 20 0 EHADHM Fc1cccc2c1CC[C@H]2Nc1c(Cl)cccc1-c1nn[n-]n1 ZINC000822791909 599494565 /nfs/dbraw/zinc/49/45/65/599494565.db2.gz MVKPNSNLZLZRIB-CQSZACIVSA-N -1 3 329.766 3.759 20 0 EHADHM CCCCC[C@H](C)CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821050396 599517619 /nfs/dbraw/zinc/51/76/19/599517619.db2.gz RMAYWJQQXZLJNI-UONOGXRCSA-N -1 3 329.448 3.650 20 0 EHADHM CCCCC[C@H](C)CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821050396 599517621 /nfs/dbraw/zinc/51/76/21/599517621.db2.gz RMAYWJQQXZLJNI-UONOGXRCSA-N -1 3 329.448 3.650 20 0 EHADHM CC[C@@H](CC1CCCC1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820903409 599526606 /nfs/dbraw/zinc/52/66/06/599526606.db2.gz UCRRQFYPCMMNFO-HIFRSBDPSA-N -1 3 341.459 3.650 20 0 EHADHM CC[C@@H](CC1CCCC1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820903409 599526608 /nfs/dbraw/zinc/52/66/08/599526608.db2.gz UCRRQFYPCMMNFO-HIFRSBDPSA-N -1 3 341.459 3.650 20 0 EHADHM CCc1ccc([C@H](C)CC(=O)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736682354 599540440 /nfs/dbraw/zinc/54/04/40/599540440.db2.gz BGJUCSCGQNXHNF-CYBMUJFWSA-N -1 3 336.395 3.528 20 0 EHADHM CCc1ccc([C@H](C)CC(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736682354 599540441 /nfs/dbraw/zinc/54/04/41/599540441.db2.gz BGJUCSCGQNXHNF-CYBMUJFWSA-N -1 3 336.395 3.528 20 0 EHADHM Fc1ccc2c(c1)[C@H](Nc1c(Cl)cccc1-c1nnn[n-]1)CC2 ZINC000822786070 599542570 /nfs/dbraw/zinc/54/25/70/599542570.db2.gz CCOVQVHXMHJJMX-CQSZACIVSA-N -1 3 329.766 3.759 20 0 EHADHM Fc1ccc2c(c1)[C@H](Nc1c(Cl)cccc1-c1nn[n-]n1)CC2 ZINC000822786070 599542572 /nfs/dbraw/zinc/54/25/72/599542572.db2.gz CCOVQVHXMHJJMX-CQSZACIVSA-N -1 3 329.766 3.759 20 0 EHADHM Clc1cccc(-c2nn[n-]n2)c1N[C@@H]1CSc2ccccc21 ZINC000822581432 599561909 /nfs/dbraw/zinc/56/19/09/599561909.db2.gz IIOOCXFAHWJZIB-GFCCVEGCSA-N -1 3 329.816 3.779 20 0 EHADHM Clc1cccc(-c2nnn[n-]2)c1N[C@@H]1CSc2ccccc21 ZINC000822581432 599561906 /nfs/dbraw/zinc/56/19/06/599561906.db2.gz IIOOCXFAHWJZIB-GFCCVEGCSA-N -1 3 329.816 3.779 20 0 EHADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000736328402 599609498 /nfs/dbraw/zinc/60/94/98/599609498.db2.gz HMPXSGFKQZUZHM-MLGOLLRUSA-N -1 3 342.447 3.608 20 0 EHADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000736328402 599609499 /nfs/dbraw/zinc/60/94/99/599609499.db2.gz HMPXSGFKQZUZHM-MLGOLLRUSA-N -1 3 342.447 3.608 20 0 EHADHM O=C([O-])[C@H](c1ccc(F)cc1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000572889222 599708985 /nfs/dbraw/zinc/70/89/85/599708985.db2.gz DYBVBBKZGAMODP-SFHVURJKSA-N -1 3 341.382 3.546 20 0 EHADHM O=C([O-])[C@@H](NCc1ccccc1Oc1cccnc1)c1ccccc1 ZINC000739505474 599786633 /nfs/dbraw/zinc/78/66/33/599786633.db2.gz PKSBYFQDJPRPQZ-IBGZPJMESA-N -1 3 334.375 3.789 20 0 EHADHM COc1ccc(OC)c([C@H]2CCCN2Cc2cccc(C(=O)[O-])c2)c1 ZINC000738048104 599996816 /nfs/dbraw/zinc/99/68/16/599996816.db2.gz KTDMNELYDCQWFF-GOSISDBHSA-N -1 3 341.407 3.739 20 0 EHADHM Cc1ccc(OC2CCN([C@@H](C)c3ccc(C(=O)[O-])o3)CC2)cc1 ZINC000579603271 600261969 /nfs/dbraw/zinc/26/19/69/600261969.db2.gz NOSLBAIYMVFXOY-AWEZNQCLSA-N -1 3 329.396 3.891 20 0 EHADHM CCc1ccc([C@@H](C)CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825704603 607436663 /nfs/dbraw/zinc/43/66/63/607436663.db2.gz KIJCCORQXMTGFR-AWEZNQCLSA-N -1 3 349.438 3.586 20 0 EHADHM CCc1ccc([C@@H](C)CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825704603 607436664 /nfs/dbraw/zinc/43/66/64/607436664.db2.gz KIJCCORQXMTGFR-AWEZNQCLSA-N -1 3 349.438 3.586 20 0 EHADHM CCCOCc1ccccc1CN[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737027393 600425452 /nfs/dbraw/zinc/42/54/52/600425452.db2.gz CCFBYDXPMHDIBZ-GOSISDBHSA-N -1 3 331.387 3.668 20 0 EHADHM CCCn1c2cccc(F)c2nc1-c1ccc(-c2nnn[n-]2)cc1F ZINC000821143396 607457793 /nfs/dbraw/zinc/45/77/93/607457793.db2.gz USDGJEWRYZWCDT-UHFFFAOYSA-N -1 3 340.337 3.572 20 0 EHADHM CCCn1c2cccc(F)c2nc1-c1ccc(-c2nn[n-]n2)cc1F ZINC000821143396 607457794 /nfs/dbraw/zinc/45/77/94/607457794.db2.gz USDGJEWRYZWCDT-UHFFFAOYSA-N -1 3 340.337 3.572 20 0 EHADHM c1ccc(-c2nnn[n-]2)c(SCc2noc(C3CCCCC3)n2)c1 ZINC000823774039 607467862 /nfs/dbraw/zinc/46/78/62/607467862.db2.gz XYXZHIQLRATEPC-UHFFFAOYSA-N -1 3 342.428 3.590 20 0 EHADHM c1ccc(-c2nn[n-]n2)c(SCc2noc(C3CCCCC3)n2)c1 ZINC000823774039 607467863 /nfs/dbraw/zinc/46/78/63/607467863.db2.gz XYXZHIQLRATEPC-UHFFFAOYSA-N -1 3 342.428 3.590 20 0 EHADHM CN(CCOc1ccc(C(=O)[O-])cc1Cl)Cc1cccc(F)c1 ZINC000830791429 600816306 /nfs/dbraw/zinc/81/63/06/600816306.db2.gz BHOXKSDHHJXEHU-UHFFFAOYSA-N -1 3 337.778 3.688 20 0 EHADHM CN(C)c1cccc(CN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC000652474245 600829276 /nfs/dbraw/zinc/82/92/76/600829276.db2.gz ZCZZVQOMCJXOGN-UHFFFAOYSA-N -1 3 348.393 3.508 20 0 EHADHM Cc1oc(CN2CCC(c3c[nH]c4ncccc34)CC2)cc1C(=O)[O-] ZINC000738979255 600956778 /nfs/dbraw/zinc/95/67/78/600956778.db2.gz MAKSNEUORMUKNI-UHFFFAOYSA-N -1 3 339.395 3.542 20 0 EHADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1nc2ccccc2n1C(F)F ZINC000248513552 600987268 /nfs/dbraw/zinc/98/72/68/600987268.db2.gz 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O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc(C(F)F)c1 ZINC000823318373 607241940 /nfs/dbraw/zinc/24/19/40/607241940.db2.gz DKSWIVBEFJDQBG-UHFFFAOYSA-N -1 3 349.728 3.710 20 0 EHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc(C(F)F)c1 ZINC000823318373 607241941 /nfs/dbraw/zinc/24/19/41/607241941.db2.gz DKSWIVBEFJDQBG-UHFFFAOYSA-N -1 3 349.728 3.710 20 0 EHADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cc2sccc2s1 ZINC000823450031 607250240 /nfs/dbraw/zinc/25/02/40/607250240.db2.gz ICDZJTYQPMUQEW-UHFFFAOYSA-N -1 3 346.368 3.501 20 0 EHADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cc2sccc2s1 ZINC000823450031 607250241 /nfs/dbraw/zinc/25/02/41/607250241.db2.gz ICDZJTYQPMUQEW-UHFFFAOYSA-N -1 3 346.368 3.501 20 0 EHADHM CC[C@H](CC(=O)N(CC)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000825083075 607797600 /nfs/dbraw/zinc/79/76/00/607797600.db2.gz XCTSNOWUZATLPA-OAHLLOKOSA-N -1 3 349.438 3.804 20 0 EHADHM CC[C@H](CC(=O)N(CC)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000825083075 607797601 /nfs/dbraw/zinc/79/76/01/607797601.db2.gz XCTSNOWUZATLPA-OAHLLOKOSA-N -1 3 349.438 3.804 20 0 EHADHM CCN(C(=O)CC[C@@H](C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825372227 607798357 /nfs/dbraw/zinc/79/83/57/607798357.db2.gz SUFYEBTVCHLEGM-OAHLLOKOSA-N -1 3 349.438 3.804 20 0 EHADHM CCN(C(=O)CC[C@@H](C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825372227 607798358 /nfs/dbraw/zinc/79/83/58/607798358.db2.gz SUFYEBTVCHLEGM-OAHLLOKOSA-N -1 3 349.438 3.804 20 0 EHADHM CCN(C(=O)c1cc2cc(C)ccc2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379903 607798396 /nfs/dbraw/zinc/79/83/96/607798396.db2.gz LWFLYEFLGSKQEQ-UHFFFAOYSA-N -1 3 347.378 3.588 20 0 EHADHM CCN(C(=O)c1cc2cc(C)ccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379903 607798397 /nfs/dbraw/zinc/79/83/97/607798397.db2.gz LWFLYEFLGSKQEQ-UHFFFAOYSA-N -1 3 347.378 3.588 20 0 EHADHM CN(C(=O)CC1(C)CCCCC1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825811774 607801065 /nfs/dbraw/zinc/80/10/65/607801065.db2.gz BOEOWUFGKLLLJL-UHFFFAOYSA-N -1 3 347.850 3.843 20 0 EHADHM CN(C(=O)CC1(C)CCCCC1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825811774 607801066 /nfs/dbraw/zinc/80/10/66/607801066.db2.gz BOEOWUFGKLLLJL-UHFFFAOYSA-N -1 3 347.850 3.843 20 0 EHADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1cccnc1-c1ccccc1 ZINC000826371347 607843062 /nfs/dbraw/zinc/84/30/62/607843062.db2.gz CJYVWUAGEGULMT-UHFFFAOYSA-N -1 3 346.369 3.680 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1cccnc1-c1ccccc1 ZINC000826371347 607843063 /nfs/dbraw/zinc/84/30/63/607843063.db2.gz CJYVWUAGEGULMT-UHFFFAOYSA-N -1 3 346.369 3.680 20 0 EHADHM Fc1ccc(C=Cc2nc3cc(Cl)ccc3o2)cc1-c1nnn[n-]1 ZINC000826374167 607915744 /nfs/dbraw/zinc/91/57/44/607915744.db2.gz OGIFOAITYOKNLB-KXFIGUGUSA-N -1 3 341.733 3.971 20 0 EHADHM Fc1ccc(C=Cc2nc3cc(Cl)ccc3o2)cc1-c1nn[n-]n1 ZINC000826374167 607915745 /nfs/dbraw/zinc/91/57/45/607915745.db2.gz OGIFOAITYOKNLB-KXFIGUGUSA-N -1 3 341.733 3.971 20 0 EHADHM Cc1ncc(-c2ccccc2)cc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000826329722 608028128 /nfs/dbraw/zinc/02/81/28/608028128.db2.gz OYGOUOYJJZPSPS-UHFFFAOYSA-N -1 3 348.435 3.911 20 0 EHADHM CC(C)(C)[C@H]1C[C@H](Nc2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000824077937 608149341 /nfs/dbraw/zinc/14/93/41/608149341.db2.gz FTXKHAVPHRQKBX-BXUZGUMPSA-N -1 3 335.839 3.526 20 0 EHADHM CC(C)(C)[C@H]1C[C@H](Nc2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000824077937 608149342 /nfs/dbraw/zinc/14/93/42/608149342.db2.gz FTXKHAVPHRQKBX-BXUZGUMPSA-N -1 3 335.839 3.526 20 0 EHADHM c1c2ccccc2oc1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826524530 608224131 /nfs/dbraw/zinc/22/41/31/608224131.db2.gz YMJUBSCLOMHXGG-UHFFFAOYSA-N -1 3 342.362 3.773 20 0 EHADHM c1c2ccccc2oc1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826524530 608224133 /nfs/dbraw/zinc/22/41/33/608224133.db2.gz YMJUBSCLOMHXGG-UHFFFAOYSA-N -1 3 342.362 3.773 20 0 EHADHM Fc1ccc2c(c1)[C@@H](Nc1ccc3cc(-c4nnn[n-]4)ccc3n1)CC2 ZINC000826375833 608226998 /nfs/dbraw/zinc/22/69/98/608226998.db2.gz DJEMNJAKCYKCKL-KRWDZBQOSA-N -1 3 346.369 3.653 20 0 EHADHM Fc1ccc2c(c1)[C@@H](Nc1ccc3cc(-c4nn[n-]n4)ccc3n1)CC2 ZINC000826375833 608226999 /nfs/dbraw/zinc/22/69/99/608226999.db2.gz DJEMNJAKCYKCKL-KRWDZBQOSA-N -1 3 346.369 3.653 20 0 EHADHM Clc1cc(-c2nnn[n-]2)ccc1SCc1cnoc1C1CC1 ZINC000826350924 608292003 /nfs/dbraw/zinc/29/20/03/608292003.db2.gz QIVKEEFLKGJXQZ-UHFFFAOYSA-N -1 3 333.804 3.678 20 0 EHADHM Clc1cc(-c2nn[n-]n2)ccc1SCc1cnoc1C1CC1 ZINC000826350924 608292004 /nfs/dbraw/zinc/29/20/04/608292004.db2.gz QIVKEEFLKGJXQZ-UHFFFAOYSA-N -1 3 333.804 3.678 20 0 EHADHM CCOc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000825643051 609155894 /nfs/dbraw/zinc/15/58/94/609155894.db2.gz GXLHFVBMKALEEO-LLVKDONJSA-N -1 3 327.363 3.578 20 0 EHADHM CCOc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000825643051 609155895 /nfs/dbraw/zinc/15/58/95/609155895.db2.gz GXLHFVBMKALEEO-LLVKDONJSA-N -1 3 327.363 3.578 20 0 EHADHM COc1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000826210127 609161271 /nfs/dbraw/zinc/16/12/71/609161271.db2.gz FSJARWVSVTXGOS-JTQLQIEISA-N -1 3 329.791 3.702 20 0 EHADHM COc1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000826210127 609161272 /nfs/dbraw/zinc/16/12/72/609161272.db2.gz FSJARWVSVTXGOS-JTQLQIEISA-N -1 3 329.791 3.702 20 0 EHADHM CC(C)Oc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000824329630 609163945 /nfs/dbraw/zinc/16/39/45/609163945.db2.gz STSVMKDFHMTNEJ-GFCCVEGCSA-N -1 3 341.390 3.966 20 0 EHADHM CC(C)Oc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000824329630 609163946 /nfs/dbraw/zinc/16/39/46/609163946.db2.gz STSVMKDFHMTNEJ-GFCCVEGCSA-N -1 3 341.390 3.966 20 0 EHADHM CC1CCN(c2ccc(NCc3cccc(-c4nn[n-]n4)c3)cc2)CC1 ZINC000824962279 609262391 /nfs/dbraw/zinc/26/23/91/609262391.db2.gz RPOGXWVVAOVQEJ-UHFFFAOYSA-N -1 3 348.454 3.715 20 0 EHADHM COc1cc(C)ccc1N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826178375 609276724 /nfs/dbraw/zinc/27/67/24/609276724.db2.gz VPIVKUJTFBKNFS-MRXNPFEDSA-N -1 3 335.411 3.673 20 0 EHADHM COc1cc(C)ccc1N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826178375 609276725 /nfs/dbraw/zinc/27/67/25/609276725.db2.gz VPIVKUJTFBKNFS-MRXNPFEDSA-N -1 3 335.411 3.673 20 0 EHADHM Cc1nc2cc(NCc3ccc(-c4nnn[n-]4)cc3F)ccc2s1 ZINC000826329225 609280954 /nfs/dbraw/zinc/28/09/54/609280954.db2.gz UXNSGATYJKHDHQ-UHFFFAOYSA-N -1 3 340.387 3.536 20 0 EHADHM Cc1nc2cc(NCc3ccc(-c4nn[n-]n4)cc3F)ccc2s1 ZINC000826329225 609280956 /nfs/dbraw/zinc/28/09/56/609280956.db2.gz UXNSGATYJKHDHQ-UHFFFAOYSA-N -1 3 340.387 3.536 20 0 EHADHM C[C@H](Nc1cc(F)cc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824647953 609348472 /nfs/dbraw/zinc/34/84/72/609348472.db2.gz CLQSUXQYLMVHDV-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@H](Nc1cc(F)cc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824647953 609348474 /nfs/dbraw/zinc/34/84/74/609348474.db2.gz CLQSUXQYLMVHDV-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM CC(C)Oc1cc(F)ccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000824319196 609439092 /nfs/dbraw/zinc/43/90/92/609439092.db2.gz IWEWIRHYYACNNS-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM CC(C)Oc1cc(F)ccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824319196 609439093 /nfs/dbraw/zinc/43/90/93/609439093.db2.gz IWEWIRHYYACNNS-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM CC[C@@H](C)CCCCC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825060594 609478445 /nfs/dbraw/zinc/47/84/45/609478445.db2.gz RKELAVZLHHGAOK-ZIAGYGMSSA-N -1 3 329.448 3.650 20 0 EHADHM CC[C@@H](C)CCCCC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825060594 609478446 /nfs/dbraw/zinc/47/84/46/609478446.db2.gz RKELAVZLHHGAOK-ZIAGYGMSSA-N -1 3 329.448 3.650 20 0 EHADHM c1cc(COc2ccc(NC3CCCC3)cc2)cc(-c2nnn[n-]2)c1 ZINC000826516604 609484876 /nfs/dbraw/zinc/48/48/76/609484876.db2.gz RZSYSWDGXGSFJH-UHFFFAOYSA-N -1 3 335.411 3.800 20 0 EHADHM c1cc(COc2ccc(NC3CCCC3)cc2)cc(-c2nn[n-]n2)c1 ZINC000826516604 609484878 /nfs/dbraw/zinc/48/48/78/609484878.db2.gz RZSYSWDGXGSFJH-UHFFFAOYSA-N -1 3 335.411 3.800 20 0 EHADHM COc1ccc2oc(CNc3cccc(-c4nnn[n-]4)c3C)cc2c1 ZINC000826213959 609486097 /nfs/dbraw/zinc/48/60/97/609486097.db2.gz UGJMBLDTROQAGZ-UHFFFAOYSA-N -1 3 335.367 3.542 20 0 EHADHM COc1ccc2oc(CNc3cccc(-c4nn[n-]n4)c3C)cc2c1 ZINC000826213959 609486099 /nfs/dbraw/zinc/48/60/99/609486099.db2.gz UGJMBLDTROQAGZ-UHFFFAOYSA-N -1 3 335.367 3.542 20 0 EHADHM CCOc1cccc(CSc2cccc(Cl)c2-c2nnn[n-]2)n1 ZINC000825649707 609489585 /nfs/dbraw/zinc/48/95/85/609489585.db2.gz VOQGCFUKGXTOGX-UHFFFAOYSA-N -1 3 347.831 3.606 20 0 EHADHM CCOc1cccc(CSc2cccc(Cl)c2-c2nn[n-]n2)n1 ZINC000825649707 609489587 /nfs/dbraw/zinc/48/95/87/609489587.db2.gz VOQGCFUKGXTOGX-UHFFFAOYSA-N -1 3 347.831 3.606 20 0 EHADHM Cc1ccnc(N(C)[C@@H](C)c2cc3ccccc3o2)c1-c1nnn[n-]1 ZINC000826309112 609529707 /nfs/dbraw/zinc/52/97/07/609529707.db2.gz DPTDVJZXXYLAKZ-LBPRGKRZSA-N -1 3 334.383 3.514 20 0 EHADHM Cc1ccnc(N(C)[C@@H](C)c2cc3ccccc3o2)c1-c1nn[n-]n1 ZINC000826309112 609529709 /nfs/dbraw/zinc/52/97/09/609529709.db2.gz DPTDVJZXXYLAKZ-LBPRGKRZSA-N -1 3 334.383 3.514 20 0 EHADHM C[C@H]1CC(C)(C)c2ccccc2N1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824874476 609622764 /nfs/dbraw/zinc/62/27/64/609622764.db2.gz DASBLHOIFCRVDZ-ZDUSSCGKSA-N -1 3 347.422 3.583 20 0 EHADHM C[C@H]1CC(C)(C)c2ccccc2N1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824874476 609622766 /nfs/dbraw/zinc/62/27/66/609622766.db2.gz DASBLHOIFCRVDZ-ZDUSSCGKSA-N -1 3 347.422 3.583 20 0 EHADHM Cc1sc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)c(-c2nnn[n-]2)c1C ZINC000737562537 945097236 /nfs/dbraw/zinc/09/72/36/945097236.db2.gz NIDUIXHKANCZGK-STQMWFEESA-N -1 3 345.472 3.700 20 0 EHADHM Cc1sc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)c(-c2nn[n-]n2)c1C ZINC000737562537 945097245 /nfs/dbraw/zinc/09/72/45/945097245.db2.gz NIDUIXHKANCZGK-STQMWFEESA-N -1 3 345.472 3.700 20 0 EHADHM CC1(C)CCC(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000820589379 945494260 /nfs/dbraw/zinc/49/42/60/945494260.db2.gz CSUUFZMZENIESZ-UHFFFAOYSA-N -1 3 333.823 3.675 20 0 EHADHM CC1(C)CCC(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000820589379 945494264 /nfs/dbraw/zinc/49/42/64/945494264.db2.gz CSUUFZMZENIESZ-UHFFFAOYSA-N -1 3 333.823 3.675 20 0 EHADHM CC(=O)c1cccc(-c2nnn[n-]2)c1OCCC1CCCCCC1 ZINC001573555096 946901981 /nfs/dbraw/zinc/90/19/81/946901981.db2.gz AOWPXKSVCOJURM-UHFFFAOYSA-N -1 3 328.416 3.809 20 0 EHADHM CC(=O)c1cccc(-c2nn[n-]n2)c1OCCC1CCCCCC1 ZINC001573555096 946901986 /nfs/dbraw/zinc/90/19/86/946901986.db2.gz AOWPXKSVCOJURM-UHFFFAOYSA-N -1 3 328.416 3.809 20 0 EHADHM CC[C@H](C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825050077 947060547 /nfs/dbraw/zinc/06/05/47/947060547.db2.gz GOKQHXKMIJPWIS-KBPBESRZSA-N -1 3 349.438 3.757 20 0 EHADHM CC[C@H](C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825050077 947060554 /nfs/dbraw/zinc/06/05/54/947060554.db2.gz GOKQHXKMIJPWIS-KBPBESRZSA-N -1 3 349.438 3.757 20 0 EHADHM CCCCC[C@@H](CC)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825266273 947136190 /nfs/dbraw/zinc/13/61/90/947136190.db2.gz DJFKGCDWIACQAG-UONOGXRCSA-N -1 3 329.448 3.650 20 0 EHADHM CCCCC[C@@H](CC)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825266273 947136196 /nfs/dbraw/zinc/13/61/96/947136196.db2.gz DJFKGCDWIACQAG-UONOGXRCSA-N -1 3 329.448 3.650 20 0 EHADHM Cc1c(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cnn1-c1ccccc1 ZINC000826242613 947719005 /nfs/dbraw/zinc/71/90/05/947719005.db2.gz XFBADCSNORLDQN-CYBMUJFWSA-N -1 3 345.410 3.534 20 0 EHADHM Cc1c(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cnn1-c1ccccc1 ZINC000826242613 947719008 /nfs/dbraw/zinc/71/90/08/947719008.db2.gz XFBADCSNORLDQN-CYBMUJFWSA-N -1 3 345.410 3.534 20 0 EHADHM Clc1cccc(SCc2nc3ccccc3o2)c1-c1nnn[n-]1 ZINC000826353385 948103761 /nfs/dbraw/zinc/10/37/61/948103761.db2.gz NDJXWMMZVXUBHO-UHFFFAOYSA-N -1 3 343.799 3.954 20 0 EHADHM Clc1cccc(SCc2nc3ccccc3o2)c1-c1nn[n-]n1 ZINC000826353385 948103766 /nfs/dbraw/zinc/10/37/66/948103766.db2.gz NDJXWMMZVXUBHO-UHFFFAOYSA-N -1 3 343.799 3.954 20 0 EHADHM CC(C)c1ccccc1OC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001574421118 948816256 /nfs/dbraw/zinc/81/62/56/948816256.db2.gz HDJDJWVAJVUOAD-DLBZAZTESA-N -1 3 348.406 3.699 20 0 EHADHM CC(C)c1ccccc1OC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001574421118 948816272 /nfs/dbraw/zinc/81/62/72/948816272.db2.gz HDJDJWVAJVUOAD-DLBZAZTESA-N -1 3 348.406 3.699 20 0 EHADHM C[C@@H](c1ccccc1)c1ccc(Oc2cc(-c3nnn[n-]3)cnn2)cc1 ZINC001575515271 949185331 /nfs/dbraw/zinc/18/53/31/949185331.db2.gz HAAMPPIMANQIDA-ZDUSSCGKSA-N -1 3 344.378 3.601 20 0 EHADHM C[C@@H](c1ccccc1)c1ccc(Oc2cc(-c3nn[n-]n3)cnn2)cc1 ZINC001575515271 949185336 /nfs/dbraw/zinc/18/53/36/949185336.db2.gz HAAMPPIMANQIDA-ZDUSSCGKSA-N -1 3 344.378 3.601 20 0 EHADHM CC(C)C[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)C(C)(C)CC2 ZINC001574137766 949768613 /nfs/dbraw/zinc/76/86/13/949768613.db2.gz XIWVWCWDMLXJQD-SNVBAGLBSA-N -1 3 347.488 3.773 20 0 EHADHM CC(C)C[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)C(C)(C)CC2 ZINC001574137766 949768629 /nfs/dbraw/zinc/76/86/29/949768629.db2.gz XIWVWCWDMLXJQD-SNVBAGLBSA-N -1 3 347.488 3.773 20 0 EHADHM C[C@@H](c1cccc(Br)c1)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263332551 950376815 /nfs/dbraw/zinc/37/68/15/950376815.db2.gz LVRLMCZNRWHWEN-NTZNESFSSA-N -1 3 326.234 3.553 20 0 EHADHM COc1ccc([C@@H]2CCCN2Cc2ccc(C(=O)[O-])cc2)cc1OC ZINC000263565232 950512583 /nfs/dbraw/zinc/51/25/83/950512583.db2.gz FJFGSPRSIFSYNL-KRWDZBQOSA-N -1 3 341.407 3.739 20 0 EHADHM CC(C)(C)Oc1ccc(NC[C@@H]2CC[C@H]3C[C@H]3C2)cc1-c1nnn[n-]1 ZINC001573876572 950677186 /nfs/dbraw/zinc/67/71/86/950677186.db2.gz RBOGZXGRCHQAMZ-HZSPNIEDSA-N -1 3 341.459 3.892 20 0 EHADHM CC(C)(C)Oc1ccc(NC[C@@H]2CC[C@H]3C[C@H]3C2)cc1-c1nn[n-]n1 ZINC001573876572 950677197 /nfs/dbraw/zinc/67/71/97/950677197.db2.gz RBOGZXGRCHQAMZ-HZSPNIEDSA-N -1 3 341.459 3.892 20 0 EHADHM C[C@H](CC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)CC(C)(C)C ZINC001574520663 950741986 /nfs/dbraw/zinc/74/19/86/950741986.db2.gz WOFGQUPWIDSIHO-OLZOCXBDSA-N -1 3 330.432 3.933 20 0 EHADHM C[C@H](CC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)CC(C)(C)C ZINC001574520663 950741999 /nfs/dbraw/zinc/74/19/99/950741999.db2.gz WOFGQUPWIDSIHO-OLZOCXBDSA-N -1 3 330.432 3.933 20 0 EHADHM CC(C)(C)c1cccc(OC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC001573884115 950786391 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330.403 3.615 20 0 EHADHM C[C@H](C(=O)[O-])N(Cc1ccc(C(F)(F)F)nc1Cl)C1CCC1 ZINC001589486477 987029572 /nfs/dbraw/zinc/02/95/72/987029572.db2.gz FLOLJXMPBIQYEI-MRVPVSSYSA-N -1 3 336.741 3.581 20 0 EHADHM CCOc1cncc(CN[C@@H](C(=O)[O-])c2cccc3ccccc32)c1 ZINC001597189856 987066936 /nfs/dbraw/zinc/06/69/36/987066936.db2.gz QUUYQZAXJBBKMY-LJQANCHMSA-N -1 3 336.391 3.549 20 0 EHADHM CCSc1ccc([C@H](C)N[C@H]2CCCn3nc(C(=O)[O-])cc32)cc1 ZINC001597272494 987321658 /nfs/dbraw/zinc/32/16/58/987321658.db2.gz HYWKILBAOCYKPX-WFASDCNBSA-N -1 3 345.468 3.879 20 0 EHADHM CCc1[nH]c(CNC[C@H](c2ccccc2)C(F)(F)F)cc1C(=O)[O-] ZINC001597393345 987634640 /nfs/dbraw/zinc/63/46/40/987634640.db2.gz LJYLGDDPFMPIHL-CQSZACIVSA-N -1 3 340.345 3.711 20 0 EHADHM CCc1ccc([C@H]2CCCCCN2Cc2cc(C(=O)[O-])n(C)c2)o1 ZINC001597516308 988127484 /nfs/dbraw/zinc/12/74/84/988127484.db2.gz CTCVVTLKLCJBSW-MRXNPFEDSA-N -1 3 330.428 3.996 20 0 EHADHM CCc1ccc([C@@H]2CCN([C@H](C)c3ncc(C(=O)[O-])s3)C2)cc1 ZINC001597516593 988128607 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20 0 EHADHM CC(=O)c1ccc(C(=O)N[C@H]2CCOc3c(Cl)cccc32)cc1[O-] ZINC000436610282 1025943842 /nfs/dbraw/zinc/94/38/42/1025943842.db2.gz UFLMUFYPUXLOSM-HNNXBMFYSA-N -1 3 345.782 3.502 20 0 EHADHM CC(=O)c1ccc(C(=O)NCC(C)(C)c2cccc(C)c2)cc1[O-] ZINC000436616718 1025949713 /nfs/dbraw/zinc/94/97/13/1025949713.db2.gz KXGAYJLBYZHDHC-UHFFFAOYSA-N -1 3 325.408 3.611 20 0 EHADHM O=C(NCC1CC(F)(F)C1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436676973 1026026372 /nfs/dbraw/zinc/02/63/72/1026026372.db2.gz VCGIKUGEHZKZRT-UHFFFAOYSA-N -1 3 331.362 3.758 20 0 EHADHM CC[C@@]1(C)COCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436711248 1026078534 /nfs/dbraw/zinc/07/85/34/1026078534.db2.gz FVUDJZJEMMBHPQ-FQEVSTJZSA-N -1 3 341.407 3.826 20 0 EHADHM COc1ccccc1CC1CCN(C(=O)c2ccc(C)cc2[O-])CC1 ZINC000436720557 1026092389 /nfs/dbraw/zinc/09/23/89/1026092389.db2.gz FQNZQNFACNXFIS-UHFFFAOYSA-N -1 3 339.435 3.804 20 0 EHADHM Cc1ccc(C(=O)N2CC[C@@](F)(c3cc(F)cc(F)c3)C2)c([O-])c1 ZINC000436738000 1026105295 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COC[C@@H](CC(C)C)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000825011801 1137161745 /nfs/dbraw/zinc/16/17/45/1137161745.db2.gz YDPDVNVDKWAEGT-OAHLLOKOSA-N -1 3 346.393 3.647 20 0 EHADHM C[C@H]1CN(C(=O)c2cc([O-])cc(Br)c2)[C@H]1c1ccccc1 ZINC001137029543 1137175964 /nfs/dbraw/zinc/17/59/64/1137175964.db2.gz HUYONVJWMNTNJF-MEDUHNTESA-N -1 3 346.224 3.988 20 0 EHADHM CSc1ccc([O-])c(C(=O)N2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c1 ZINC000863235912 1137176328 /nfs/dbraw/zinc/17/63/28/1137176328.db2.gz FMZODQQVJZCUEX-QILLFSRXSA-N -1 3 339.460 3.990 20 0 EHADHM CCCCc1ncc(CN(CC)CC)n1Cc1ccc(C(=O)[O-])cc1 ZINC001143746324 1137195763 /nfs/dbraw/zinc/19/57/63/1137195763.db2.gz NVLSCYVWLGXKEY-UHFFFAOYSA-N -1 3 343.471 3.814 20 0 EHADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@H]2[C@@H](O)c2ccccc2)c1 ZINC001143991032 1137225934 /nfs/dbraw/zinc/22/59/34/1137225934.db2.gz PINWKBVFXPWTIY-ICSRJNTNSA-N -1 3 339.435 3.683 20 0 EHADHM CCOc1cc(F)cc(CN[C@@H](CC(=O)[O-])c2ccc(OC)cc2)c1 ZINC000864506381 1137230649 /nfs/dbraw/zinc/23/06/49/1137230649.db2.gz OLWXNMAJJOEFFQ-SFHVURJKSA-N -1 3 347.386 3.539 20 0 EHADHM CCc1ccccc1[C@@H](CC(=O)[O-])NCc1cnc(Cl)c(F)c1 ZINC000864528096 1137232680 /nfs/dbraw/zinc/23/26/80/1137232680.db2.gz LWSDKLSNGJCTMA-OAHLLOKOSA-N -1 3 336.794 3.742 20 0 EHADHM Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1ccc([O-])cc1 ZINC000015645376 1137283928 /nfs/dbraw/zinc/28/39/28/1137283928.db2.gz WDSCZAOKLZEYLG-LLVKDONJSA-N -1 3 333.771 3.538 20 0 EHADHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@H](c2ccccc2)C(F)(F)C1 ZINC001144629079 1137320530 /nfs/dbraw/zinc/32/05/30/1137320530.db2.gz SZXVQDREOKMHEN-OAHLLOKOSA-N -1 3 349.352 3.725 20 0 EHADHM O=C(Cc1ccc([O-])c(F)c1)NC1c2ccccc2-c2ccccc21 ZINC001144632935 1137321104 /nfs/dbraw/zinc/32/11/04/1137321104.db2.gz XLLTXHFUMDOCNV-UHFFFAOYSA-N -1 3 333.362 3.960 20 0 EHADHM CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001145045352 1137383760 /nfs/dbraw/zinc/38/37/60/1137383760.db2.gz VUWNHKRKLAXSLP-CYBMUJFWSA-N -1 3 342.823 3.533 20 0 EHADHM C[C@@H]1CC(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)C[C@@H](C)C1 ZINC001147331840 1137404392 /nfs/dbraw/zinc/40/43/92/1137404392.db2.gz QFBSJJSLHYXPBX-QWRGUYRKSA-N -1 3 332.831 3.736 20 0 EHADHM CC(=O)c1ccc(C(=O)NC(C)(C)c2cccc(Cl)c2)cc1[O-] ZINC001147578582 1137409577 /nfs/dbraw/zinc/40/95/77/1137409577.db2.gz MHOQMXILNFFQCZ-UHFFFAOYSA-N -1 3 331.799 3.913 20 0 EHADHM CC(=O)c1cc(C(=O)Nc2cc(C)nc3sccc32)ccc1[O-] ZINC001148657166 1137431381 /nfs/dbraw/zinc/43/13/81/1137431381.db2.gz HYDYBWHWYVHFKS-UHFFFAOYSA-N -1 3 326.377 3.765 20 0 EHADHM CC(=O)c1cc(C(=O)N[C@H](c2ccccc2)c2ccncc2)ccc1[O-] ZINC001148669430 1137431648 /nfs/dbraw/zinc/43/16/48/1137431648.db2.gz WXXABPFCRQPUNX-HXUWFJFHSA-N -1 3 346.386 3.509 20 0 EHADHM CCOc1cccc(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)c1 ZINC000282777744 1137449983 /nfs/dbraw/zinc/44/99/83/1137449983.db2.gz WQOSWMFWTXHSIU-UHFFFAOYSA-N -1 3 348.468 3.569 20 0 EHADHM Cc1ccc(C(=O)Nc2ncc(C3(O)CCCCC3)s2)c([O-])c1 ZINC000773182493 1137474768 /nfs/dbraw/zinc/47/47/68/1137474768.db2.gz DWLOUCQHYQWGKR-UHFFFAOYSA-N -1 3 332.425 3.561 20 0 EHADHM CCOCCCCCC(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000870215082 1137481584 /nfs/dbraw/zinc/48/15/84/1137481584.db2.gz WFZAMMSJLDHFFN-UHFFFAOYSA-N -1 3 344.411 3.660 20 0 EHADHM CCC[C@@H](CC)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000339106493 1137503297 /nfs/dbraw/zinc/50/32/97/1137503297.db2.gz IIZSILPGKLFGTN-CQSZACIVSA-N -1 3 328.416 3.858 20 0 EHADHM COC(=O)c1onc(C)c1[N-]c1c(F)cc(F)c(OC(C)C)c1F ZINC001212643808 1137539970 /nfs/dbraw/zinc/53/99/70/1137539970.db2.gz GDOUDODMZJNSQT-UHFFFAOYSA-N -1 3 344.289 3.718 20 0 EHADHM COc1cc(CN[C@H](C)c2cccc([O-])c2F)ccc1OC(F)F ZINC000872018354 1137564934 /nfs/dbraw/zinc/56/49/34/1137564934.db2.gz LDXRHVZUMVTXKO-SNVBAGLBSA-N -1 3 341.329 3.992 20 0 EHADHM CCOc1c(OC)cc(CN[C@H](C)c2cccc([O-])c2F)cc1OC ZINC000872029864 1137566117 /nfs/dbraw/zinc/56/61/17/1137566117.db2.gz USOFTKDMKUVNDT-GFCCVEGCSA-N -1 3 349.402 3.798 20 0 EHADHM O=C([O-])[C@]12CCC[C@H]1N(Cc1cc(Cl)ccc1OC(F)F)CC2 ZINC000872169436 1137575035 /nfs/dbraw/zinc/57/50/35/1137575035.db2.gz PJZNIZKETSNDIW-CJNGLKHVSA-N -1 3 345.773 3.771 20 0 EHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3(C)CC(F)(F)C3)c2)n1 ZINC000874071562 1137610034 /nfs/dbraw/zinc/61/00/34/1137610034.db2.gz BLABUNOLSXNVBL-UHFFFAOYSA-N -1 3 347.365 3.786 20 0 EHADHM CC1(C)[C@@H](c2ccccc2F)CCN1C(=O)c1ccc(N)cc1[O-] ZINC000877255815 1137673491 /nfs/dbraw/zinc/67/34/91/1137673491.db2.gz HPHWMYBXIGVZNQ-OAHLLOKOSA-N -1 3 328.387 3.522 20 0 EHADHM COc1ccc(CNC(C)(C)c2nc(C)cc(=O)[n-]2)cc1C(C)(C)C ZINC000877647906 1137684292 /nfs/dbraw/zinc/68/42/92/1137684292.db2.gz IPEVPJIHSSQPOB-UHFFFAOYSA-N -1 3 343.471 3.822 20 0 EHADHM CC[C@H]1c2ccccc2CCN1Cc1nnc(-c2ccccc2[O-])o1 ZINC000878106397 1137702507 /nfs/dbraw/zinc/70/25/07/1137702507.db2.gz NRCFXKKIMCDWRK-KRWDZBQOSA-N -1 3 335.407 3.952 20 0 EHADHM Cn1cccc1[C@H]1CCCCN1Cc1nnc(-c2ccccc2[O-])o1 ZINC000878157188 1137704969 /nfs/dbraw/zinc/70/49/69/1137704969.db2.gz CHZCXDXNCGWUJJ-MRXNPFEDSA-N -1 3 338.411 3.508 20 0 EHADHM CC[C@](C)(NCc1nnc(-c2ccccc2[O-])o1)c1ccc(F)cc1 ZINC000879127820 1137738821 /nfs/dbraw/zinc/73/88/21/1137738821.db2.gz BREAMQKGLCUNBK-IBGZPJMESA-N -1 3 341.386 3.996 20 0 EHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000121448636 1137957985 /nfs/dbraw/zinc/95/79/85/1137957985.db2.gz HQVQQQDEBGYEFU-NSHDSACASA-N -1 3 336.722 3.521 20 0 EHADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000121448636 1137957986 /nfs/dbraw/zinc/95/79/86/1137957986.db2.gz HQVQQQDEBGYEFU-NSHDSACASA-N -1 3 336.722 3.521 20 0 EHADHM CCC[C@@H]1CCC[C@H]1C(=O)OCc1nnc(-c2ccccc2[O-])o1 ZINC000884531534 1137962323 /nfs/dbraw/zinc/96/23/23/1137962323.db2.gz OYSZHMMXEIKIHW-CHWSQXEVSA-N -1 3 330.384 3.702 20 0 EHADHM Cc1ccc(C(=O)N2CCCCC[C@H]2[C@H]2CCCCC2=O)c([O-])c1 ZINC000092429922 1138228201 /nfs/dbraw/zinc/22/82/01/1138228201.db2.gz JDUMYWRRCHFQMH-WBVHZDCISA-N -1 3 329.440 3.845 20 0 EHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H](c2ccccc2)C(C)C)c1 ZINC000122461173 1138258652 /nfs/dbraw/zinc/25/86/52/1138258652.db2.gz DXBYLWOEPANOOS-IBGZPJMESA-N -1 3 340.423 3.820 20 0 EHADHM O=C(c1ccccc1[O-])N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000264610862 1138575948 /nfs/dbraw/zinc/57/59/48/1138575948.db2.gz NLXUSUVBNDLJNM-SFHVURJKSA-N -1 3 345.826 3.631 20 0 EHADHM COc1cc(C(=O)N(C)CCCCc2ccccc2)cc(OC)c1[O-] ZINC000136625612 1138806475 /nfs/dbraw/zinc/80/64/75/1138806475.db2.gz ZHJOUUQTTXVROZ-UHFFFAOYSA-N -1 3 343.423 3.504 20 0 EHADHM C[C@H](CC(=O)[N-]OCc1cccnc1)c1ccccc1C(F)(F)F ZINC000152393436 1139088078 /nfs/dbraw/zinc/08/80/78/1139088078.db2.gz SZDOJQVWQPDGBI-GFCCVEGCSA-N -1 3 338.329 3.842 20 0 EHADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000181664516 1139923673 /nfs/dbraw/zinc/92/36/73/1139923673.db2.gz DYTWIDNTMBPOQJ-UHFFFAOYSA-N -1 3 341.379 3.748 20 0 EHADHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2ccc(C(F)(F)F)cc2)n1 ZINC000182421769 1139970994 /nfs/dbraw/zinc/97/09/94/1139970994.db2.gz WHFYSHKJSOZMNF-JTQLQIEISA-N -1 3 325.334 3.614 20 0 EHADHM Cc1nnc([C@H]2Cc3ccccc3CN2Cc2cc([O-])cc(F)c2)o1 ZINC000186194240 1140191775 /nfs/dbraw/zinc/19/17/75/1140191775.db2.gz ZWPDGSGYFDEFSM-GOSISDBHSA-N -1 3 339.370 3.522 20 0 EHADHM COCCCSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000187817009 1140272543 /nfs/dbraw/zinc/27/25/43/1140272543.db2.gz SMIUZTQMKSAAJE-UHFFFAOYSA-N -1 3 336.438 3.514 20 0 EHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(NC(C)=O)cc2)CC)n1 ZINC000193619583 1140580423 /nfs/dbraw/zinc/58/04/23/1140580423.db2.gz LBJACMQRHFYSQH-PTNGSMBKSA-N -1 3 325.412 3.631 20 0 EHADHM C[C@H]1[C@H](Cc2ccccc2)CCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000266907304 1140736681 /nfs/dbraw/zinc/73/66/81/1140736681.db2.gz BOIHIXROGNGQDJ-ZFWWWQNUSA-N -1 3 339.464 3.850 20 0 EHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1c(F)cccc1F ZINC000267043420 1140753591 /nfs/dbraw/zinc/75/35/91/1140753591.db2.gz UTTBEDKCSVSMIR-VIFPVBQESA-N -1 3 349.381 3.557 20 0 EHADHM CCS[C@@H]1CCC[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000267296010 1140776589 /nfs/dbraw/zinc/77/65/89/1140776589.db2.gz WSJIMANTNKTMPZ-CHWSQXEVSA-N -1 3 330.453 3.735 20 0 EHADHM CCS[C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000267424282 1140789018 /nfs/dbraw/zinc/78/90/18/1140789018.db2.gz STWMVQDNUFNXHV-RHSMWYFYSA-N -1 3 330.453 3.735 20 0 EHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2ncccc2Br)n1 ZINC000268349221 1140924337 /nfs/dbraw/zinc/92/43/37/1140924337.db2.gz QPVMZIUGQURPHL-MRVPVSSYSA-N -1 3 326.219 3.501 20 0 EHADHM COc1cc(C(=O)N(C)[C@H](C)c2ccc(C)cc2C)cc(OC)c1[O-] ZINC000270718785 1141262225 /nfs/dbraw/zinc/26/22/25/1141262225.db2.gz FBZMIOTXUDRDIO-CQSZACIVSA-N -1 3 343.423 3.859 20 0 EHADHM c1c(CSc2ccc(-c3nnn[n-]3)cc2)onc1-c1ccccc1 ZINC000738421038 598901067 /nfs/dbraw/zinc/90/10/67/598901067.db2.gz OPAUEGGAPXIDBG-UHFFFAOYSA-N -1 3 335.392 3.814 20 0 EHADHM c1c(CSc2ccc(-c3nn[n-]n3)cc2)onc1-c1ccccc1 ZINC000738421038 598901069 /nfs/dbraw/zinc/90/10/69/598901069.db2.gz OPAUEGGAPXIDBG-UHFFFAOYSA-N -1 3 335.392 3.814 20 0 EHADHM CC[C@H](CC1CCCC1)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000736349415 598923173 /nfs/dbraw/zinc/92/31/73/598923173.db2.gz GSNSIHPDGFNMEQ-CYBMUJFWSA-N -1 3 346.406 3.656 20 0 EHADHM CC[C@H](CC1CCCC1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000736349415 598923175 /nfs/dbraw/zinc/92/31/75/598923175.db2.gz GSNSIHPDGFNMEQ-CYBMUJFWSA-N -1 3 346.406 3.656 20 0 EHADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@H](c1ccccc1)C1CCC1 ZINC000737557072 598941864 /nfs/dbraw/zinc/94/18/64/598941864.db2.gz BJSCVWHXYSZSHL-OAHLLOKOSA-N -1 3 340.818 3.868 20 0 EHADHM Clc1cc(-c2nn[n-]n2)cnc1N[C@H](c1ccccc1)C1CCC1 ZINC000737557072 598941866 /nfs/dbraw/zinc/94/18/66/598941866.db2.gz BJSCVWHXYSZSHL-OAHLLOKOSA-N -1 3 340.818 3.868 20 0 EHADHM CC(C)N(C)c1cccc(Nc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000735859026 598942475 /nfs/dbraw/zinc/94/24/75/598942475.db2.gz LDOFCVAQCUZRTF-UHFFFAOYSA-N -1 3 343.822 3.503 20 0 EHADHM CC(C)N(C)c1cccc(Nc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000735859026 598942476 /nfs/dbraw/zinc/94/24/76/598942476.db2.gz LDOFCVAQCUZRTF-UHFFFAOYSA-N -1 3 343.822 3.503 20 0 EHADHM Cc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c(C)c1 ZINC000737341273 599047000 /nfs/dbraw/zinc/04/70/00/599047000.db2.gz FDXSRCGRORVVFY-UHFFFAOYSA-N -1 3 348.332 3.509 20 0 EHADHM Cc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c(C)c1 ZINC000737341273 599047003 /nfs/dbraw/zinc/04/70/03/599047003.db2.gz FDXSRCGRORVVFY-UHFFFAOYSA-N -1 3 348.332 3.509 20 0 EHADHM C[C@@H]1C[C@H]1[C@H](Nc1ncccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000820667398 599054302 /nfs/dbraw/zinc/05/43/02/599054302.db2.gz MBMVDNXZUIGROX-VCTAVGKDSA-N -1 3 340.818 3.724 20 0 EHADHM C[C@@H]1C[C@H]1[C@H](Nc1ncccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000820667398 599054304 /nfs/dbraw/zinc/05/43/04/599054304.db2.gz MBMVDNXZUIGROX-VCTAVGKDSA-N -1 3 340.818 3.724 20 0 EHADHM Cc1ccc2oc(Sc3ccc(-c4nnn[n-]4)cc3F)nc2c1 ZINC000822284428 599057095 /nfs/dbraw/zinc/05/70/95/599057095.db2.gz RRWMKIOWVPJFSF-UHFFFAOYSA-N -1 3 327.344 3.607 20 0 EHADHM Cc1ccc2oc(Sc3ccc(-c4nn[n-]n4)cc3F)nc2c1 ZINC000822284428 599057099 /nfs/dbraw/zinc/05/70/99/599057099.db2.gz RRWMKIOWVPJFSF-UHFFFAOYSA-N -1 3 327.344 3.607 20 0 EHADHM C[C@@H]1C[C@@H](c2ccccc2)CN1c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000736235674 599060366 /nfs/dbraw/zinc/06/03/66/599060366.db2.gz PIIFNTNHLQSDHG-BXUZGUMPSA-N -1 3 341.365 3.527 20 0 EHADHM C[C@@H]1C[C@@H](c2ccccc2)CN1c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000736235674 599060369 /nfs/dbraw/zinc/06/03/69/599060369.db2.gz PIIFNTNHLQSDHG-BXUZGUMPSA-N -1 3 341.365 3.527 20 0 EHADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)Oc1cccc(Cl)c1 ZINC000820280491 599064161 /nfs/dbraw/zinc/06/41/61/599064161.db2.gz HOQBHPFMHWYXLC-SNVBAGLBSA-N -1 3 347.781 3.539 20 0 EHADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)Oc1cccc(Cl)c1 ZINC000820280491 599064164 /nfs/dbraw/zinc/06/41/64/599064164.db2.gz HOQBHPFMHWYXLC-SNVBAGLBSA-N -1 3 347.781 3.539 20 0 EHADHM Cc1cccc([C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)c1C ZINC000737386924 599066027 /nfs/dbraw/zinc/06/60/27/599066027.db2.gz FXJDUFXCHPPPFY-LLVKDONJSA-N -1 3 328.807 3.705 20 0 EHADHM Cc1cccc([C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)c1C ZINC000737386924 599066029 /nfs/dbraw/zinc/06/60/29/599066029.db2.gz FXJDUFXCHPPPFY-LLVKDONJSA-N -1 3 328.807 3.705 20 0 EHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000738164355 599070324 /nfs/dbraw/zinc/07/03/24/599070324.db2.gz WWRNVNJPGBNLIX-QWHCGFSZSA-N -1 3 345.834 3.675 20 0 EHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000738164355 599070327 /nfs/dbraw/zinc/07/03/27/599070327.db2.gz WWRNVNJPGBNLIX-QWHCGFSZSA-N -1 3 345.834 3.675 20 0 EHADHM C[C@@H](CNc1c(F)cc(-c2nnn[n-]2)cc1F)Sc1ccccc1 ZINC000820274307 599079475 /nfs/dbraw/zinc/07/94/75/599079475.db2.gz GVFSDGUFCHXXOP-JTQLQIEISA-N -1 3 347.394 3.738 20 0 EHADHM C[C@@H](CNc1c(F)cc(-c2nn[n-]n2)cc1F)Sc1ccccc1 ZINC000820274307 599079477 /nfs/dbraw/zinc/07/94/77/599079477.db2.gz GVFSDGUFCHXXOP-JTQLQIEISA-N -1 3 347.394 3.738 20 0 EHADHM C[C@@H](O)[C@@H](C)SCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000820468602 599129571 /nfs/dbraw/zinc/12/95/71/599129571.db2.gz VJZBRRKNUPYTPC-CHWSQXEVSA-N -1 3 340.452 3.536 20 0 EHADHM C[C@@H](O)[C@@H](C)SCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000820468602 599129573 /nfs/dbraw/zinc/12/95/73/599129573.db2.gz VJZBRRKNUPYTPC-CHWSQXEVSA-N -1 3 340.452 3.536 20 0 EHADHM CCN(C(=O)/C=C(/C)C(C)(C)C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821146891 599143606 /nfs/dbraw/zinc/14/36/06/599143606.db2.gz ALEMDQQFLZEKRH-DINCDJDBSA-N -1 3 341.459 3.769 20 0 EHADHM CCN(C(=O)/C=C(/C)C(C)(C)C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821146891 599143609 /nfs/dbraw/zinc/14/36/09/599143609.db2.gz ALEMDQQFLZEKRH-DINCDJDBSA-N -1 3 341.459 3.769 20 0 EHADHM O=C(CC1CCC1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822941324 599151656 /nfs/dbraw/zinc/15/16/56/599151656.db2.gz UTGXKLUKRNTDAR-UHFFFAOYSA-N -1 3 349.394 3.788 20 0 EHADHM O=C(CC1CCC1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822941324 599151658 /nfs/dbraw/zinc/15/16/58/599151658.db2.gz UTGXKLUKRNTDAR-UHFFFAOYSA-N -1 3 349.394 3.788 20 0 EHADHM C[C@@H](OC(=O)C[C@H]1CCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000736147549 599153085 /nfs/dbraw/zinc/15/30/85/599153085.db2.gz CBMWQBQWHFMBBP-CZUORRHYSA-N -1 3 348.406 3.591 20 0 EHADHM C[C@@H](OC(=O)C[C@H]1CCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000736147549 599153087 /nfs/dbraw/zinc/15/30/87/599153087.db2.gz CBMWQBQWHFMBBP-CZUORRHYSA-N -1 3 348.406 3.591 20 0 EHADHM COc1cc([C@@H](C)NCc2ccc(C(=O)[O-])cc2)ccc1SC ZINC000818557999 597245263 /nfs/dbraw/zinc/24/52/63/597245263.db2.gz MPFHJXWQXVSSMI-GFCCVEGCSA-N -1 3 331.437 3.966 20 0 EHADHM c1csc([C@H]2CCCN2c2c(-c3nnn[n-]3)cnc3ccccc32)c1 ZINC000738451077 599258827 /nfs/dbraw/zinc/25/88/27/599258827.db2.gz BNMRTFRPBKBCFI-OAHLLOKOSA-N -1 3 348.435 3.818 20 0 EHADHM c1csc([C@H]2CCCN2c2c(-c3nn[n-]n3)cnc3ccccc32)c1 ZINC000738451077 599258828 /nfs/dbraw/zinc/25/88/28/599258828.db2.gz BNMRTFRPBKBCFI-OAHLLOKOSA-N -1 3 348.435 3.818 20 0 EHADHM Cc1c(NC(=O)[C@@H](C)c2cccc(Cl)c2)cccc1-c1nnn[n-]1 ZINC000822060922 607294969 /nfs/dbraw/zinc/29/49/69/607294969.db2.gz JUNHGNZQOPIGCF-JTQLQIEISA-N -1 3 341.802 3.571 20 0 EHADHM Cc1c(NC(=O)[C@@H](C)c2cccc(Cl)c2)cccc1-c1nn[n-]n1 ZINC000822060922 607294970 /nfs/dbraw/zinc/29/49/70/607294970.db2.gz JUNHGNZQOPIGCF-JTQLQIEISA-N -1 3 341.802 3.571 20 0 EHADHM CCc1ccc(C(C)(C)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821476867 607296323 /nfs/dbraw/zinc/29/63/23/607296323.db2.gz RXCVQGIDZUSTJN-UHFFFAOYSA-N -1 3 349.438 3.654 20 0 EHADHM CCc1ccc(C(C)(C)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821476867 607296324 /nfs/dbraw/zinc/29/63/24/607296324.db2.gz RXCVQGIDZUSTJN-UHFFFAOYSA-N -1 3 349.438 3.654 20 0 EHADHM Cc1csc(-c2ccc(NCc3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000822408992 607315331 /nfs/dbraw/zinc/31/53/31/607315331.db2.gz LTOAVUUJNYDZFP-UHFFFAOYSA-N -1 3 348.435 3.911 20 0 EHADHM Cc1csc(-c2ccc(NCc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000822408992 607315332 /nfs/dbraw/zinc/31/53/32/607315332.db2.gz LTOAVUUJNYDZFP-UHFFFAOYSA-N -1 3 348.435 3.911 20 0 EHADHM CCCc1nccn1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013652464 607304246 /nfs/dbraw/zinc/30/42/46/607304246.db2.gz MCGKVNLHOKZJOL-UHFFFAOYSA-N -1 3 344.422 3.731 20 0 EHADHM CCSCc1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000821460781 607318470 /nfs/dbraw/zinc/31/84/70/607318470.db2.gz CNVKRTSOIFCJJE-UHFFFAOYSA-N -1 3 331.470 3.793 20 0 EHADHM CCSCc1cccc(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000821460781 607318471 /nfs/dbraw/zinc/31/84/71/607318471.db2.gz CNVKRTSOIFCJJE-UHFFFAOYSA-N -1 3 331.470 3.793 20 0 EHADHM Clc1cc(CSc2ccc(-c3nnn[n-]3)cc2Cl)ccn1 ZINC000826350550 607844897 /nfs/dbraw/zinc/84/48/97/607844897.db2.gz BEIAZHALFGYDKT-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM Clc1cc(CSc2ccc(-c3nn[n-]n3)cc2Cl)ccn1 ZINC000826350550 607844898 /nfs/dbraw/zinc/84/48/98/607844898.db2.gz BEIAZHALFGYDKT-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM Cc1nn(Cc2ccccc2)c(C)c1CNCc1cccc(C(=O)[O-])c1 ZINC000426696317 598194099 /nfs/dbraw/zinc/19/40/99/598194099.db2.gz NTCTYQDXZYVKOR-UHFFFAOYSA-N -1 3 349.434 3.536 20 0 EHADHM CCn1c(C)cc2c1CCC[C@H]2Nc1cccc(F)c1-c1nnn[n-]1 ZINC000736720826 598244151 /nfs/dbraw/zinc/24/41/51/598244151.db2.gz XREGRDGCVJPTEQ-CQSZACIVSA-N -1 3 340.406 3.625 20 0 EHADHM CCn1c(C)cc2c1CCC[C@H]2Nc1cccc(F)c1-c1nn[n-]n1 ZINC000736720826 598244153 /nfs/dbraw/zinc/24/41/53/598244153.db2.gz XREGRDGCVJPTEQ-CQSZACIVSA-N -1 3 340.406 3.625 20 0 EHADHM C[C@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1Cl ZINC000737196524 598416601 /nfs/dbraw/zinc/41/66/01/598416601.db2.gz ODPPIQFRZCDANJ-VIFPVBQESA-N -1 3 346.749 3.577 20 0 EHADHM C[C@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1Cl ZINC000737196524 598416603 /nfs/dbraw/zinc/41/66/03/598416603.db2.gz ODPPIQFRZCDANJ-VIFPVBQESA-N -1 3 346.749 3.577 20 0 EHADHM CC(=CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1Cl ZINC000729356474 598440419 /nfs/dbraw/zinc/44/04/19/598440419.db2.gz CIYFSGLYQJJCTL-ZHACJKMWSA-N -1 3 339.786 3.562 20 0 EHADHM CC(=CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000729356474 598440420 /nfs/dbraw/zinc/44/04/20/598440420.db2.gz CIYFSGLYQJJCTL-ZHACJKMWSA-N -1 3 339.786 3.562 20 0 EHADHM CCCCCC[C@@H](C)CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736448384 598495982 /nfs/dbraw/zinc/49/59/82/598495982.db2.gz XUJVUVLZSISNFP-CYBMUJFWSA-N -1 3 345.447 3.810 20 0 EHADHM CCCCCC[C@@H](C)CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736448384 598495984 /nfs/dbraw/zinc/49/59/84/598495984.db2.gz XUJVUVLZSISNFP-CYBMUJFWSA-N -1 3 345.447 3.810 20 0 EHADHM CCc1c(C)sc(NC(=O)c2ccc(CC)cc2)c1-c1nnn[n-]1 ZINC000736690959 598517882 /nfs/dbraw/zinc/51/78/82/598517882.db2.gz XACRKBHLQFGDBY-UHFFFAOYSA-N -1 3 341.440 3.614 20 0 EHADHM CCc1c(C)sc(NC(=O)c2ccc(CC)cc2)c1-c1nn[n-]n1 ZINC000736690959 598517883 /nfs/dbraw/zinc/51/78/83/598517883.db2.gz XACRKBHLQFGDBY-UHFFFAOYSA-N -1 3 341.440 3.614 20 0 EHADHM CCc1c(C)sc(NC(=O)c2cccc(C)c2C)c1-c1nnn[n-]1 ZINC000736674336 598518782 /nfs/dbraw/zinc/51/87/82/598518782.db2.gz BYDOLYQPPQIVDT-UHFFFAOYSA-N -1 3 341.440 3.668 20 0 EHADHM CCc1c(C)sc(NC(=O)c2cccc(C)c2C)c1-c1nn[n-]n1 ZINC000736674336 598518784 /nfs/dbraw/zinc/51/87/84/598518784.db2.gz BYDOLYQPPQIVDT-UHFFFAOYSA-N -1 3 341.440 3.668 20 0 EHADHM CCC/C=C/C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736440390 598556285 /nfs/dbraw/zinc/55/62/85/598556285.db2.gz ZYUALMDEIOXEBA-XBXARRHUSA-N -1 3 349.394 3.954 20 0 EHADHM CCC/C=C/C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736440390 598556287 /nfs/dbraw/zinc/55/62/87/598556287.db2.gz ZYUALMDEIOXEBA-XBXARRHUSA-N -1 3 349.394 3.954 20 0 EHADHM Fc1ccc(COc2cccc(C(F)(F)F)c2)c(-c2nnn[n-]2)c1 ZINC000737648907 598642951 /nfs/dbraw/zinc/64/29/51/598642951.db2.gz KPMFYHFYDCQKFZ-UHFFFAOYSA-N -1 3 338.264 3.604 20 0 EHADHM Fc1ccc(COc2cccc(C(F)(F)F)c2)c(-c2nn[n-]n2)c1 ZINC000737648907 598642953 /nfs/dbraw/zinc/64/29/53/598642953.db2.gz KPMFYHFYDCQKFZ-UHFFFAOYSA-N -1 3 338.264 3.604 20 0 EHADHM COc1ccc(C)cc1CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737075012 598695087 /nfs/dbraw/zinc/69/50/87/598695087.db2.gz BGHDFSPLCLPAQM-UHFFFAOYSA-N -1 3 344.415 3.756 20 0 EHADHM COc1ccc(C)cc1CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737075012 598695089 /nfs/dbraw/zinc/69/50/89/598695089.db2.gz BGHDFSPLCLPAQM-UHFFFAOYSA-N -1 3 344.415 3.756 20 0 EHADHM CC(C)CC(CC(C)C)NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000735762050 598734488 /nfs/dbraw/zinc/73/44/88/598734488.db2.gz UMIVHYJRLMZYDQ-UHFFFAOYSA-N -1 3 346.504 3.614 20 0 EHADHM CC(C)CC(CC(C)C)NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000735762050 598734489 /nfs/dbraw/zinc/73/44/89/598734489.db2.gz UMIVHYJRLMZYDQ-UHFFFAOYSA-N -1 3 346.504 3.614 20 0 EHADHM CCOc1cccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000736653583 598792959 /nfs/dbraw/zinc/79/29/59/598792959.db2.gz CUXAURWXVNUAKP-UHFFFAOYSA-N -1 3 329.791 3.531 20 0 EHADHM CCOc1cccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000736653583 598792960 /nfs/dbraw/zinc/79/29/60/598792960.db2.gz CUXAURWXVNUAKP-UHFFFAOYSA-N -1 3 329.791 3.531 20 0 EHADHM COc1ccc([C@@H](C)Nc2cccc(Cl)c2-c2nnn[n-]2)cc1F ZINC000821777980 599331816 /nfs/dbraw/zinc/33/18/16/599331816.db2.gz QUILUBFXEKYFKK-SECBINFHSA-N -1 3 347.781 3.841 20 0 EHADHM COc1ccc([C@@H](C)Nc2cccc(Cl)c2-c2nn[n-]n2)cc1F ZINC000821777980 599331819 /nfs/dbraw/zinc/33/18/19/599331819.db2.gz QUILUBFXEKYFKK-SECBINFHSA-N -1 3 347.781 3.841 20 0 EHADHM C[C@H](Nc1ccc(OC(F)F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820455364 599368818 /nfs/dbraw/zinc/36/88/18/599368818.db2.gz HWCAVYRPSMXYPK-VIFPVBQESA-N -1 3 349.316 3.780 20 0 EHADHM C[C@H](Nc1ccc(OC(F)F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820455364 599368820 /nfs/dbraw/zinc/36/88/20/599368820.db2.gz HWCAVYRPSMXYPK-VIFPVBQESA-N -1 3 349.316 3.780 20 0 EHADHM C[C@@H](Nc1ccc(OC(F)F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820455363 599369065 /nfs/dbraw/zinc/36/90/65/599369065.db2.gz HWCAVYRPSMXYPK-SECBINFHSA-N -1 3 349.316 3.780 20 0 EHADHM C[C@@H](Nc1ccc(OC(F)F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820455363 599369067 /nfs/dbraw/zinc/36/90/67/599369067.db2.gz HWCAVYRPSMXYPK-SECBINFHSA-N -1 3 349.316 3.780 20 0 EHADHM CCc1nc2cc(N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)ccc2o1 ZINC000821509352 599369474 /nfs/dbraw/zinc/36/94/74/599369474.db2.gz GXIDWIRREWVJAU-NSHDSACASA-N -1 3 334.383 3.743 20 0 EHADHM CCc1nc2cc(N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)ccc2o1 ZINC000821509352 599369476 /nfs/dbraw/zinc/36/94/76/599369476.db2.gz GXIDWIRREWVJAU-NSHDSACASA-N -1 3 334.383 3.743 20 0 EHADHM C[C@@H](Nc1ccc(OCC2CC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820456445 599376670 /nfs/dbraw/zinc/37/66/70/599376670.db2.gz UFQMBIOSYAEKHR-CYBMUJFWSA-N -1 3 335.411 3.829 20 0 EHADHM C[C@@H](Nc1ccc(OCC2CC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820456445 599376673 /nfs/dbraw/zinc/37/66/73/599376673.db2.gz UFQMBIOSYAEKHR-CYBMUJFWSA-N -1 3 335.411 3.829 20 0 EHADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccc(Cl)c(Cl)c1 ZINC000820431144 599389977 /nfs/dbraw/zinc/38/99/77/599389977.db2.gz BGKHNFUAFIOOBZ-MRVPVSSYSA-N -1 3 338.198 3.617 20 0 EHADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccc(Cl)c(Cl)c1 ZINC000820431144 599389980 /nfs/dbraw/zinc/38/99/80/599389980.db2.gz BGKHNFUAFIOOBZ-MRVPVSSYSA-N -1 3 338.198 3.617 20 0 EHADHM CCOCc1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000736625777 599404083 /nfs/dbraw/zinc/40/40/83/599404083.db2.gz MGYYMEHJPWYNGY-UHFFFAOYSA-N -1 3 343.818 3.669 20 0 EHADHM CCOCc1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000736625777 599404084 /nfs/dbraw/zinc/40/40/84/599404084.db2.gz MGYYMEHJPWYNGY-UHFFFAOYSA-N -1 3 343.818 3.669 20 0 EHADHM C[C@@H](Nc1cc(Cl)ccc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000736138544 599414103 /nfs/dbraw/zinc/41/41/03/599414103.db2.gz NFTIEXBRWWVTEI-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@@H](Nc1cc(Cl)ccc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000736138544 599414104 /nfs/dbraw/zinc/41/41/04/599414104.db2.gz NFTIEXBRWWVTEI-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1ccc(-c2nn[n-]n2)cc1F ZINC000736237606 599472567 /nfs/dbraw/zinc/47/25/67/599472567.db2.gz YBBUHOJRGHTPER-RISCZKNCSA-N -1 3 341.365 3.527 20 0 EHADHM CCOc1cccc([C@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000821426393 599503615 /nfs/dbraw/zinc/50/36/15/599503615.db2.gz DTHXHBFKBONNPZ-NSHDSACASA-N -1 3 327.363 3.578 20 0 EHADHM CCOc1cccc([C@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821426393 599503617 /nfs/dbraw/zinc/50/36/17/599503617.db2.gz DTHXHBFKBONNPZ-NSHDSACASA-N -1 3 327.363 3.578 20 0 EHADHM Cc1ccccc1[C@H]1C[C@@H](C)N(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000737422235 599526601 /nfs/dbraw/zinc/52/66/01/599526601.db2.gz MNGUPSATEKKSAW-HIFRSBDPSA-N -1 3 337.402 3.697 20 0 EHADHM c1ccc2c(c1)ncc(-c1nnn[n-]1)c2N1CCC[C@]2(CC=CCC2)C1 ZINC000819718471 599556489 /nfs/dbraw/zinc/55/64/89/599556489.db2.gz IODHTBASJJQAPB-HXUWFJFHSA-N -1 3 346.438 3.742 20 0 EHADHM c1ccc2c(c1)ncc(-c1nn[n-]n1)c2N1CCC[C@]2(CC=CCC2)C1 ZINC000819718471 599556491 /nfs/dbraw/zinc/55/64/91/599556491.db2.gz IODHTBASJJQAPB-HXUWFJFHSA-N -1 3 346.438 3.742 20 0 EHADHM CC(=CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)C(C)(C)C ZINC000819765787 599628372 /nfs/dbraw/zinc/62/83/72/599628372.db2.gz RLVZIXHHISKUOB-MDZDMXLPSA-N -1 3 345.472 3.738 20 0 EHADHM C/C(=C\C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)C(C)(C)C ZINC000819765787 599628373 /nfs/dbraw/zinc/62/83/73/599628373.db2.gz RLVZIXHHISKUOB-MDZDMXLPSA-N -1 3 345.472 3.738 20 0 EHADHM O=C([O-])[C@H](NCc1cccc(OCC(F)(F)F)c1)c1ccccc1 ZINC000426798285 599786891 /nfs/dbraw/zinc/78/68/91/599786891.db2.gz DQMPMXFVLKDDHT-OAHLLOKOSA-N -1 3 339.313 3.543 20 0 EHADHM C[C@@H](CN(Cc1ccc(Br)cc1Cl)C1CC1)C(=O)[O-] ZINC000577857946 599947388 /nfs/dbraw/zinc/94/73/88/599947388.db2.gz UHXSWNQHSCQJJT-VIFPVBQESA-N -1 3 346.652 3.788 20 0 EHADHM CCN(CC)[C@@H](CNc1nc(Cl)c(C(=O)[O-])s1)c1ccco1 ZINC000737086336 600202805 /nfs/dbraw/zinc/20/28/05/600202805.db2.gz WCBTUAHUAAFKNJ-VIFPVBQESA-N -1 3 343.836 3.583 20 0 EHADHM O=C([O-])c1cc(F)ccc1CN1CCS[C@H](c2ccccc2)C1 ZINC000740079281 600412875 /nfs/dbraw/zinc/41/28/75/600412875.db2.gz NTZCRVWCPJWXTK-KRWDZBQOSA-N -1 3 331.412 3.814 20 0 EHADHM Fc1cc(-c2nnn[n-]2)ccc1C=Cc1nc2cc(Cl)ccc2o1 ZINC000822741447 607456527 /nfs/dbraw/zinc/45/65/27/607456527.db2.gz XEGVTYDSYRYYAV-ZZXKWVIFSA-N -1 3 341.733 3.971 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1C=Cc1nc2cc(Cl)ccc2o1 ZINC000822741447 607456528 /nfs/dbraw/zinc/45/65/28/607456528.db2.gz XEGVTYDSYRYYAV-ZZXKWVIFSA-N -1 3 341.733 3.971 20 0 EHADHM CCc1ccc(-c2nc(CN[C@](C)(C(=O)[O-])C3CC3)cs2)cc1 ZINC000830228898 601035271 /nfs/dbraw/zinc/03/52/71/601035271.db2.gz HHGZQGCTRDJUCK-SFHVURJKSA-N -1 3 330.453 3.715 20 0 EHADHM COCCN(C/C=C(\C)C(=O)[O-])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000831725466 601160475 /nfs/dbraw/zinc/16/04/75/601160475.db2.gz YBHZOUXAMQXKCP-WHGQRRHOSA-N -1 3 345.361 3.746 20 0 EHADHM CCC1CCC(NCc2coc(-c3cccs3)n2)(C(=O)[O-])CC1 ZINC000829108213 601497488 /nfs/dbraw/zinc/49/74/88/601497488.db2.gz WDIUJSNDAHIALZ-UHFFFAOYSA-N -1 3 334.441 3.916 20 0 EHADHM O=C([O-])[C@H]1c2ccccc2CCN1Cc1cc(F)cc2cccnc21 ZINC000326598589 601545117 /nfs/dbraw/zinc/54/51/17/601545117.db2.gz FKDAPULPEJFTBM-LJQANCHMSA-N -1 3 336.366 3.558 20 0 EHADHM O=C([O-])CN(CCC(F)(F)F)Cc1ccc(C(F)(F)F)cc1 ZINC000565105222 601548767 /nfs/dbraw/zinc/54/87/67/601548767.db2.gz LXCGWXWTEYEMAG-UHFFFAOYSA-N -1 3 329.240 3.544 20 0 EHADHM Cc1sc(C(=O)[O-])cc1CN1CCC[C@H](c2noc(C(C)C)n2)C1 ZINC000652409301 601625012 /nfs/dbraw/zinc/62/50/12/601625012.db2.gz DAHSCADEBKVKEA-LBPRGKRZSA-N -1 3 349.456 3.641 20 0 EHADHM COc1ccc(C2CCN(Cc3ccc(C(=O)[O-])c(F)c3)CC2)cc1 ZINC000584541477 601647586 /nfs/dbraw/zinc/64/75/86/601647586.db2.gz JWQRZQFDVFXRKH-UHFFFAOYSA-N -1 3 343.398 3.912 20 0 EHADHM Cc1cccc(NC2CCN(Cc3ccc(C(=O)[O-])s3)CC2)c1 ZINC000832971257 601960137 /nfs/dbraw/zinc/96/01/37/601960137.db2.gz TVXWDLDXXAWNJD-UHFFFAOYSA-N -1 3 330.453 3.831 20 0 EHADHM COc1cc(OC)cc([C@@H](N[C@H](C)c2ccc(C)c(F)c2)C(=O)[O-])c1 ZINC000832048842 602175807 /nfs/dbraw/zinc/17/58/07/602175807.db2.gz BGEBADMQJPYJQD-KZULUSFZSA-N -1 3 347.386 3.628 20 0 EHADHM CC[C@](C)(CC(=O)[O-])NCc1csc(Nc2ccccc2C)n1 ZINC000828671954 602222294 /nfs/dbraw/zinc/22/22/94/602222294.db2.gz IYKKZDIZSJJKCR-QGZVFWFLSA-N -1 3 333.457 3.928 20 0 EHADHM C[C@H](NC[C@H]1CCCN(C(=O)[O-])C1)c1nc(-c2ccccc2)cs1 ZINC000739032940 603275138 /nfs/dbraw/zinc/27/51/38/603275138.db2.gz GAQVJQWJKRYJBQ-UONOGXRCSA-N -1 3 345.468 3.851 20 0 EHADHM c1sc(COCc2ccccc2)nc1-c1cccc(-c2nnn[n-]2)c1 ZINC000826521484 607645856 /nfs/dbraw/zinc/64/58/56/607645856.db2.gz ODPXWDXCHMPXBD-UHFFFAOYSA-N -1 3 349.419 3.707 20 0 EHADHM c1sc(COCc2ccccc2)nc1-c1cccc(-c2nn[n-]n2)c1 ZINC000826521484 607645858 /nfs/dbraw/zinc/64/58/58/607645858.db2.gz ODPXWDXCHMPXBD-UHFFFAOYSA-N -1 3 349.419 3.707 20 0 EHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)Cc1ccc(C(C)C)cc1 ZINC000826243616 607649796 /nfs/dbraw/zinc/64/97/96/607649796.db2.gz ORJIJANALMJWNJ-UHFFFAOYSA-N -1 3 349.438 3.571 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)Cc1ccc(C(C)C)cc1 ZINC000826243616 607649798 /nfs/dbraw/zinc/64/97/98/607649798.db2.gz ORJIJANALMJWNJ-UHFFFAOYSA-N -1 3 349.438 3.571 20 0 EHADHM Cc1cc(-c2nnn[n-]2)ccc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000826243597 607657980 /nfs/dbraw/zinc/65/79/80/607657980.db2.gz NZURETHFOFTDTD-UHFFFAOYSA-N -1 3 338.758 3.546 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000826243597 607657983 /nfs/dbraw/zinc/65/79/83/607657983.db2.gz NZURETHFOFTDTD-UHFFFAOYSA-N -1 3 338.758 3.546 20 0 EHADHM CCCN(CC1CCCCC1)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825313508 607667951 /nfs/dbraw/zinc/66/79/51/607667951.db2.gz IADALAFINCDJIQ-UHFFFAOYSA-N -1 3 341.459 3.608 20 0 EHADHM CCCN(CC1CCCCC1)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825313508 607667952 /nfs/dbraw/zinc/66/79/52/607667952.db2.gz IADALAFINCDJIQ-UHFFFAOYSA-N -1 3 341.459 3.608 20 0 EHADHM C[C@H](NC(=O)[O-])c1ccc(CN[C@H]2CCc3ccc(F)cc32)cc1 ZINC000825397859 604303803 /nfs/dbraw/zinc/30/38/03/604303803.db2.gz QXQPFEQCXFERTL-SGTLLEGYSA-N -1 3 328.387 3.931 20 0 EHADHM C[C@H](NC(=O)C[C@H]1CCCCC1(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824479632 607693147 /nfs/dbraw/zinc/69/31/47/607693147.db2.gz PCROQEOMQHWPCS-XJKSGUPXSA-N -1 3 341.459 3.650 20 0 EHADHM C[C@H](NC(=O)C[C@H]1CCCCC1(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824479632 607693149 /nfs/dbraw/zinc/69/31/49/607693149.db2.gz PCROQEOMQHWPCS-XJKSGUPXSA-N -1 3 341.459 3.650 20 0 EHADHM CC[C@@](C)(CC(=O)[O-])NCc1nc2cc(C(F)(F)F)ccc2o1 ZINC000828672486 604487373 /nfs/dbraw/zinc/48/73/73/604487373.db2.gz SMYPOAHIAFJSFZ-AWEZNQCLSA-N -1 3 330.306 3.580 20 0 EHADHM C[C@]1(NCc2nnc(-c3cccc(Cl)c3)o2)CCCC[C@@H]1C(=O)[O-] ZINC000833568950 604819259 /nfs/dbraw/zinc/81/92/59/604819259.db2.gz JCNHEANRCPAYGL-DYVFJYSZSA-N -1 3 349.818 3.513 20 0 EHADHM CC1=C(C(=O)[O-])C[C@H](CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)O1 ZINC000833585459 604834469 /nfs/dbraw/zinc/83/44/69/604834469.db2.gz SNTXAVCQIWKQIT-DNVCBOLYSA-N -1 3 340.423 3.842 20 0 EHADHM COc1ccc(C)cc1CN[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833730544 604868136 /nfs/dbraw/zinc/86/81/36/604868136.db2.gz GPAMLSXUHUUPSV-SFHVURJKSA-N -1 3 327.424 3.945 20 0 EHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2ncc(-c3ccccc3F)o2)C1 ZINC000833419533 604937283 /nfs/dbraw/zinc/93/72/83/604937283.db2.gz FZKBXAXREKZOSN-CYBMUJFWSA-N -1 3 346.402 3.804 20 0 EHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000652498614 604946807 /nfs/dbraw/zinc/94/68/07/604946807.db2.gz NVPRGSWESCWAFZ-CQSZACIVSA-N -1 3 346.402 3.804 20 0 EHADHM Cc1ccc(-c2nc(CN[C@@]3(C)CCCC[C@H]3C(=O)[O-])cs2)o1 ZINC000833746438 605062322 /nfs/dbraw/zinc/06/23/22/605062322.db2.gz GQKQYWSHNXVVOP-GUYCJALGSA-N -1 3 334.441 3.835 20 0 EHADHM C[C@@H](C[C@H](O)c1cccs1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000824391703 607732968 /nfs/dbraw/zinc/73/29/68/607732968.db2.gz JLOOGSAPENKUOR-ZANVPECISA-N -1 3 349.847 3.506 20 0 EHADHM C[C@@H](C[C@H](O)c1cccs1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000824391703 607732970 /nfs/dbraw/zinc/73/29/70/607732970.db2.gz JLOOGSAPENKUOR-ZANVPECISA-N -1 3 349.847 3.506 20 0 EHADHM C[C@@H](COc1ccccc1C(F)(F)F)NCc1ccoc1C(=O)[O-] ZINC000833521036 605082578 /nfs/dbraw/zinc/08/25/78/605082578.db2.gz YGGFWKLMMCCJHT-JTQLQIEISA-N -1 3 343.301 3.554 20 0 EHADHM C/C(=C\CN[C@@H](COc1ccccc1F)c1ccccc1)C(=O)[O-] ZINC000833382834 605089337 /nfs/dbraw/zinc/08/93/37/605089337.db2.gz IQRPXXXQPIUWHU-WKOYGUFESA-N -1 3 329.371 3.566 20 0 EHADHM CC(C)OC1CCC(Nc2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000824309840 607734869 /nfs/dbraw/zinc/73/48/69/607734869.db2.gz XBLNVSQSQLLVRL-UHFFFAOYSA-N -1 3 335.839 3.668 20 0 EHADHM CC(C)OC1CCC(Nc2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000824309840 607734870 /nfs/dbraw/zinc/73/48/70/607734870.db2.gz XBLNVSQSQLLVRL-UHFFFAOYSA-N -1 3 335.839 3.668 20 0 EHADHM C[C@@H](NC(=O)[O-])c1ccc(CN[C@@H](C)c2ccnc(Cl)c2)cc1 ZINC000825502297 605118929 /nfs/dbraw/zinc/11/89/29/605118929.db2.gz HYPGMTKXCQQWSV-NWDGAFQWSA-N -1 3 333.819 3.914 20 0 EHADHM C[C@H]1CCN(Cc2ccc(OCC(=O)[O-])cc2)[C@H](c2ccco2)C1 ZINC000833615293 605299041 /nfs/dbraw/zinc/29/90/41/605299041.db2.gz AKQGDLYIXJLTAR-YOEHRIQHSA-N -1 3 329.396 3.716 20 0 EHADHM O=C([O-])N[C@@H]1C[C@@H](N[C@@H]2CCc3ccc(F)cc32)c2ccccc21 ZINC000834156997 605801489 /nfs/dbraw/zinc/80/14/89/605801489.db2.gz DZRPMBGRRYYXHW-KZNAEPCWSA-N -1 3 326.371 3.856 20 0 EHADHM c1ccc2nc(N3CCC4(C3)CCCCC4)c(-c3nnn[n-]3)cc2c1 ZINC000823801983 606093938 /nfs/dbraw/zinc/09/39/38/606093938.db2.gz DVVRVMQVYMMPTG-UHFFFAOYSA-N -1 3 334.427 3.576 20 0 EHADHM c1ccc2nc(N3CCC4(C3)CCCCC4)c(-c3nn[n-]n3)cc2c1 ZINC000823801983 606093943 /nfs/dbraw/zinc/09/39/43/606093943.db2.gz DVVRVMQVYMMPTG-UHFFFAOYSA-N -1 3 334.427 3.576 20 0 EHADHM COc1cc(Cl)c(C)cc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000821717803 606220061 /nfs/dbraw/zinc/22/00/61/606220061.db2.gz ZFGDRFNXMGIWKI-UHFFFAOYSA-N -1 3 335.820 3.511 20 0 EHADHM COc1cc(Cl)c(C)cc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000821717803 606220063 /nfs/dbraw/zinc/22/00/63/606220063.db2.gz ZFGDRFNXMGIWKI-UHFFFAOYSA-N -1 3 335.820 3.511 20 0 EHADHM COc1ccc2nc(C=Cc3cc(-c4nnn[n-]4)cs3)sc2c1 ZINC000821854607 606304283 /nfs/dbraw/zinc/30/42/83/606304283.db2.gz PCNCIEADZBXPQW-HWKANZROSA-N -1 3 341.421 3.717 20 0 EHADHM COc1ccc2nc(C=Cc3cc(-c4nn[n-]n4)cs3)sc2c1 ZINC000821854607 606304284 /nfs/dbraw/zinc/30/42/84/606304284.db2.gz PCNCIEADZBXPQW-HWKANZROSA-N -1 3 341.421 3.717 20 0 EHADHM C[C@H](OC(=O)[C@H]1CCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820486943 606348749 /nfs/dbraw/zinc/34/87/49/606348749.db2.gz DOHVMUZDFJRJJI-UGSOOPFHSA-N -1 3 348.406 3.591 20 0 EHADHM C[C@H](OC(=O)[C@H]1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820486943 606348751 /nfs/dbraw/zinc/34/87/51/606348751.db2.gz DOHVMUZDFJRJJI-UGSOOPFHSA-N -1 3 348.406 3.591 20 0 EHADHM COc1ccc2nc(C=Cc3ccc(-c4nnn[n-]4)s3)sc2c1 ZINC000821854694 606388737 /nfs/dbraw/zinc/38/87/37/606388737.db2.gz RUVDXVNPHZHORZ-QPJJXVBHSA-N -1 3 341.421 3.717 20 0 EHADHM CC[C@@H](C)Oc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000820876131 606412855 /nfs/dbraw/zinc/41/28/55/606412855.db2.gz MHCCFBGXYKYHAU-LLVKDONJSA-N -1 3 329.429 3.718 20 0 EHADHM COc1ccc([C@@H](C)Nc2c(Cl)cccc2-c2nnn[n-]2)cc1F ZINC000821778148 606422656 /nfs/dbraw/zinc/42/26/56/606422656.db2.gz VOHOASMKLUDVGP-SECBINFHSA-N -1 3 347.781 3.841 20 0 EHADHM COc1ccc([C@@H](C)Nc2c(Cl)cccc2-c2nn[n-]n2)cc1F ZINC000821778148 606422658 /nfs/dbraw/zinc/42/26/58/606422658.db2.gz VOHOASMKLUDVGP-SECBINFHSA-N -1 3 347.781 3.841 20 0 EHADHM C[C@H]1c2ccsc2CCN1c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820827657 606442816 /nfs/dbraw/zinc/44/28/16/606442816.db2.gz VMPZTYOQNUDACZ-VIFPVBQESA-N -1 3 331.832 3.705 20 0 EHADHM C[C@H]1c2ccsc2CCN1c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820827657 606442817 /nfs/dbraw/zinc/44/28/17/606442817.db2.gz VMPZTYOQNUDACZ-VIFPVBQESA-N -1 3 331.832 3.705 20 0 EHADHM Fc1ccc(N[C@H]2CCC[C@@H](C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000822779306 606447473 /nfs/dbraw/zinc/44/74/73/606447473.db2.gz VHHYUDTWHKUIFX-SCZZXKLOSA-N -1 3 329.301 3.539 20 0 EHADHM Fc1ccc(N[C@H]2CCC[C@@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000822779306 606447475 /nfs/dbraw/zinc/44/74/75/606447475.db2.gz VHHYUDTWHKUIFX-SCZZXKLOSA-N -1 3 329.301 3.539 20 0 EHADHM Cc1cccc(OC(F)F)c1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822327292 606455575 /nfs/dbraw/zinc/45/55/75/606455575.db2.gz FLAWJYBDRTYKEL-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM Cc1cccc(OC(F)F)c1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822327292 606455576 /nfs/dbraw/zinc/45/55/76/606455576.db2.gz FLAWJYBDRTYKEL-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM Clc1cccc(-c2nnn[n-]2)c1N1CCC[C@H]1c1ccsc1 ZINC000822582046 606455771 /nfs/dbraw/zinc/45/57/71/606455771.db2.gz OWYCHIYYQGNQNI-ZDUSSCGKSA-N -1 3 331.832 3.923 20 0 EHADHM Clc1cccc(-c2nn[n-]n2)c1N1CCC[C@H]1c1ccsc1 ZINC000822582046 606455773 /nfs/dbraw/zinc/45/57/73/606455773.db2.gz OWYCHIYYQGNQNI-ZDUSSCGKSA-N -1 3 331.832 3.923 20 0 EHADHM CCC1(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CC1 ZINC000820945008 606535543 /nfs/dbraw/zinc/53/55/43/606535543.db2.gz QIRMTSNXLSOWQX-UHFFFAOYSA-N -1 3 349.394 3.788 20 0 EHADHM CCC1(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CC1 ZINC000820945008 606535545 /nfs/dbraw/zinc/53/55/45/606535545.db2.gz QIRMTSNXLSOWQX-UHFFFAOYSA-N -1 3 349.394 3.788 20 0 EHADHM Cc1cc(C)cc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000822196884 606597151 /nfs/dbraw/zinc/59/71/51/606597151.db2.gz ZYOLZFVMJIHXDL-UHFFFAOYSA-N -1 3 345.353 3.697 20 0 EHADHM Cc1cc(C)cc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000822196884 606597153 /nfs/dbraw/zinc/59/71/53/606597153.db2.gz ZYOLZFVMJIHXDL-UHFFFAOYSA-N -1 3 345.353 3.697 20 0 EHADHM CC(C)(C)[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(F)cc1 ZINC000819898426 606643471 /nfs/dbraw/zinc/64/34/71/606643471.db2.gz GGKDRVCYKIWYDQ-HNNXBMFYSA-N -1 3 326.379 3.600 20 0 EHADHM CC(C)(C)[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(F)cc1 ZINC000819898426 606643472 /nfs/dbraw/zinc/64/34/72/606643472.db2.gz GGKDRVCYKIWYDQ-HNNXBMFYSA-N -1 3 326.379 3.600 20 0 EHADHM O=C(C=C1CCC1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822917097 606678295 /nfs/dbraw/zinc/67/82/95/606678295.db2.gz NJNCDIPMWRGQTO-UHFFFAOYSA-N -1 3 347.378 3.708 20 0 EHADHM O=C(C=C1CCC1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822917097 606678296 /nfs/dbraw/zinc/67/82/96/606678296.db2.gz NJNCDIPMWRGQTO-UHFFFAOYSA-N -1 3 347.378 3.708 20 0 EHADHM Fc1ccccc1[C@@H](NCc1ccc(-c2nnn[n-]2)o1)C1CCCC1 ZINC000822791230 606734151 /nfs/dbraw/zinc/73/41/51/606734151.db2.gz FSHWWRFEQVJGJX-KRWDZBQOSA-N -1 3 341.390 3.620 20 0 EHADHM Fc1ccc(CNc2ccc3c4c(cccc42)CC3)cc1-c1nnn[n-]1 ZINC000822771450 606926465 /nfs/dbraw/zinc/92/64/65/606926465.db2.gz HQIOFTLNESONID-UHFFFAOYSA-N -1 3 345.381 3.870 20 0 EHADHM Fc1ccc(CNc2ccc3c4c(cccc42)CC3)cc1-c1nn[n-]n1 ZINC000822771450 606926467 /nfs/dbraw/zinc/92/64/67/606926467.db2.gz HQIOFTLNESONID-UHFFFAOYSA-N -1 3 345.381 3.870 20 0 EHADHM CC(C)COc1cccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000820103261 606926712 /nfs/dbraw/zinc/92/67/12/606926712.db2.gz RPBWFMSIYZJKMW-UHFFFAOYSA-N -1 3 341.390 3.653 20 0 EHADHM CC(C)COc1cccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000820103261 606926713 /nfs/dbraw/zinc/92/67/13/606926713.db2.gz RPBWFMSIYZJKMW-UHFFFAOYSA-N -1 3 341.390 3.653 20 0 EHADHM CN(C(=O)CCCC(C)(C)C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569429 606960799 /nfs/dbraw/zinc/96/07/99/606960799.db2.gz KBMNGNCZYACQJZ-UHFFFAOYSA-N -1 3 335.839 3.699 20 0 EHADHM CN(C(=O)CCCC(C)(C)C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569429 606960800 /nfs/dbraw/zinc/96/08/00/606960800.db2.gz KBMNGNCZYACQJZ-UHFFFAOYSA-N -1 3 335.839 3.699 20 0 EHADHM CC(C)(C)c1nc(CSc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000819965602 607012756 /nfs/dbraw/zinc/01/27/56/607012756.db2.gz JKEOYMCAKCDFOL-UHFFFAOYSA-N -1 3 331.470 3.913 20 0 EHADHM CC(C)(C)c1nc(CSc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000819965602 607012757 /nfs/dbraw/zinc/01/27/57/607012757.db2.gz JKEOYMCAKCDFOL-UHFFFAOYSA-N -1 3 331.470 3.913 20 0 EHADHM CCOc1cc(Cl)ccc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000821395339 607033116 /nfs/dbraw/zinc/03/31/16/607033116.db2.gz WEGJRKQZQXQCKS-UHFFFAOYSA-N -1 3 347.781 3.670 20 0 EHADHM CCOc1cc(Cl)ccc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000821395339 607033118 /nfs/dbraw/zinc/03/31/18/607033118.db2.gz WEGJRKQZQXQCKS-UHFFFAOYSA-N -1 3 347.781 3.670 20 0 EHADHM Cc1cccc(C)c1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000822293726 607038300 /nfs/dbraw/zinc/03/83/00/607038300.db2.gz JHOSACQRKWEXEZ-UHFFFAOYSA-N -1 3 348.332 3.509 20 0 EHADHM Cc1cccc(C)c1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000822293726 607038302 /nfs/dbraw/zinc/03/83/02/607038302.db2.gz JHOSACQRKWEXEZ-UHFFFAOYSA-N -1 3 348.332 3.509 20 0 EHADHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1cc2ccccc2o1 ZINC000820427165 607058886 /nfs/dbraw/zinc/05/88/86/607058886.db2.gz PRLQOTSNBMHDDZ-NSHDSACASA-N -1 3 337.358 3.603 20 0 EHADHM Clc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCOC3(CCCCC3)C2)c1 ZINC000822567837 607130794 /nfs/dbraw/zinc/13/07/94/607130794.db2.gz IGKRGLKOYRWNFC-CYBMUJFWSA-N -1 3 347.850 3.814 20 0 EHADHM Clc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCOC3(CCCCC3)C2)c1 ZINC000822567837 607130796 /nfs/dbraw/zinc/13/07/96/607130796.db2.gz IGKRGLKOYRWNFC-CYBMUJFWSA-N -1 3 347.850 3.814 20 0 EHADHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)C1(C)CC1 ZINC000822211787 607157102 /nfs/dbraw/zinc/15/71/02/607157102.db2.gz OOKWAQFZKUXKMI-UHFFFAOYSA-N -1 3 349.394 3.706 20 0 EHADHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)C1(C)CC1 ZINC000822211787 607157103 /nfs/dbraw/zinc/15/71/03/607157103.db2.gz OOKWAQFZKUXKMI-UHFFFAOYSA-N -1 3 349.394 3.706 20 0 EHADHM CC[C@@]1(C)CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820950466 607203541 /nfs/dbraw/zinc/20/35/41/607203541.db2.gz NSUNHFBIGTWNIW-INIZCTEOSA-N -1 3 348.838 3.564 20 0 EHADHM CC[C@@]1(C)CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820950466 607203542 /nfs/dbraw/zinc/20/35/42/607203542.db2.gz NSUNHFBIGTWNIW-INIZCTEOSA-N -1 3 348.838 3.564 20 0 EHADHM CC(C)c1ccsc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820198265 607241158 /nfs/dbraw/zinc/24/11/58/607241158.db2.gz UIISLHLEBDCYSI-UHFFFAOYSA-N -1 3 347.831 3.957 20 0 EHADHM CC(C)c1ccsc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820198265 607241159 /nfs/dbraw/zinc/24/11/59/607241159.db2.gz UIISLHLEBDCYSI-UHFFFAOYSA-N -1 3 347.831 3.957 20 0 EHADHM Cc1cc(Cl)cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822202029 607243739 /nfs/dbraw/zinc/24/37/39/607243739.db2.gz HZZZKHGZVUMAIG-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1cc(Cl)cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822202029 607243740 /nfs/dbraw/zinc/24/37/40/607243740.db2.gz HZZZKHGZVUMAIG-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1ccc(CCCCC(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1 ZINC000826287131 607788499 /nfs/dbraw/zinc/78/84/99/607788499.db2.gz DPYBJTFCMODCHU-UHFFFAOYSA-N -1 3 349.438 3.551 20 0 EHADHM Cc1ccc(CCCCC(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1 ZINC000826287131 607788500 /nfs/dbraw/zinc/78/85/00/607788500.db2.gz DPYBJTFCMODCHU-UHFFFAOYSA-N -1 3 349.438 3.551 20 0 EHADHM CCC(C)(C)c1ccc(C(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000825045154 607792860 /nfs/dbraw/zinc/79/28/60/607792860.db2.gz XOMKVZILDNILKO-UHFFFAOYSA-N -1 3 341.440 3.868 20 0 EHADHM CCC(C)(C)c1ccc(C(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC000825045154 607792861 /nfs/dbraw/zinc/79/28/61/607792861.db2.gz XOMKVZILDNILKO-UHFFFAOYSA-N -1 3 341.440 3.868 20 0 EHADHM CCN(C(=O)c1cc2cccc(C)c2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379914 607800040 /nfs/dbraw/zinc/80/00/40/607800040.db2.gz MDODUCOBKAGMLE-UHFFFAOYSA-N -1 3 347.378 3.588 20 0 EHADHM CCN(C(=O)c1cc2cccc(C)c2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379914 607800041 /nfs/dbraw/zinc/80/00/41/607800041.db2.gz MDODUCOBKAGMLE-UHFFFAOYSA-N -1 3 347.378 3.588 20 0 EHADHM Cc1cccc(COc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000826298555 607931947 /nfs/dbraw/zinc/93/19/47/607931947.db2.gz YKYVDLAXEKEBKN-UHFFFAOYSA-N -1 3 343.390 3.816 20 0 EHADHM Cc1cccc(COc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000826298555 607931948 /nfs/dbraw/zinc/93/19/48/607931948.db2.gz YKYVDLAXEKEBKN-UHFFFAOYSA-N -1 3 343.390 3.816 20 0 EHADHM CCc1nc2sccc2c(Sc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000825750470 607965608 /nfs/dbraw/zinc/96/56/08/607965608.db2.gz QXXLQLHFRBFXHY-UHFFFAOYSA-N -1 3 340.437 3.585 20 0 EHADHM CCc1nc2sccc2c(Sc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000825750470 607965609 /nfs/dbraw/zinc/96/56/09/607965609.db2.gz QXXLQLHFRBFXHY-UHFFFAOYSA-N -1 3 340.437 3.585 20 0 EHADHM CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000824280795 608058838 /nfs/dbraw/zinc/05/88/38/608058838.db2.gz UQIQBFVRNPISHB-CQSZACIVSA-N -1 3 349.438 3.807 20 0 EHADHM CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000824280795 608058839 /nfs/dbraw/zinc/05/88/39/608058839.db2.gz UQIQBFVRNPISHB-CQSZACIVSA-N -1 3 349.438 3.807 20 0 EHADHM CCN(Cc1c(F)cccc1F)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825428931 608156511 /nfs/dbraw/zinc/15/65/11/608156511.db2.gz VPLVAMNVNLIGIB-GFCCVEGCSA-N -1 3 343.381 3.728 20 0 EHADHM C[C@H](OC(=O)C(C)(C)c1cccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000824706089 608183014 /nfs/dbraw/zinc/18/30/14/608183014.db2.gz GMWLHANRRJLOSB-NSHDSACASA-N -1 3 342.424 3.510 20 0 EHADHM C[C@H](OC(=O)C(C)(C)c1cccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000824706089 608183015 /nfs/dbraw/zinc/18/30/15/608183015.db2.gz GMWLHANRRJLOSB-NSHDSACASA-N -1 3 342.424 3.510 20 0 EHADHM CSc1ccccc1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826230849 608185985 /nfs/dbraw/zinc/18/59/85/608185985.db2.gz MAPHBDQBTZTBPA-LLVKDONJSA-N -1 3 340.408 3.507 20 0 EHADHM CSc1ccccc1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826230849 608185986 /nfs/dbraw/zinc/18/59/86/608185986.db2.gz MAPHBDQBTZTBPA-LLVKDONJSA-N -1 3 340.408 3.507 20 0 EHADHM Cc1ccc([C@@H](C)Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)s1 ZINC000826283602 608223731 /nfs/dbraw/zinc/22/37/31/608223731.db2.gz VMANZIVQYDEQFE-LLVKDONJSA-N -1 3 336.424 3.958 20 0 EHADHM Cc1ccc([C@@H](C)Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)s1 ZINC000826283602 608223733 /nfs/dbraw/zinc/22/37/33/608223733.db2.gz VMANZIVQYDEQFE-LLVKDONJSA-N -1 3 336.424 3.958 20 0 EHADHM CCCCCC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825267742 608303540 /nfs/dbraw/zinc/30/35/40/608303540.db2.gz MMIHALUBYFCIQP-UHFFFAOYSA-N -1 3 349.438 3.730 20 0 EHADHM CCCCCC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825267742 608303542 /nfs/dbraw/zinc/30/35/42/608303542.db2.gz MMIHALUBYFCIQP-UHFFFAOYSA-N -1 3 349.438 3.730 20 0 EHADHM C[C@H](NC(=O)C(C)(C)C1CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824470372 608306103 /nfs/dbraw/zinc/30/61/03/608306103.db2.gz HTSNZNDBNRBJRD-ZDUSSCGKSA-N -1 3 341.459 3.650 20 0 EHADHM C[C@H](NC(=O)C(C)(C)C1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824470372 608306105 /nfs/dbraw/zinc/30/61/05/608306105.db2.gz HTSNZNDBNRBJRD-ZDUSSCGKSA-N -1 3 341.459 3.650 20 0 EHADHM CCN(C(=O)C[C@@H]1CC[C@@H](C)C1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367299 608344661 /nfs/dbraw/zinc/34/46/61/608344661.db2.gz MYRZFXQXJDLUEQ-VXGBXAGGSA-N -1 3 347.850 3.699 20 0 EHADHM CCN(C(=O)C[C@@H]1CC[C@@H](C)C1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367299 608344662 /nfs/dbraw/zinc/34/46/62/608344662.db2.gz MYRZFXQXJDLUEQ-VXGBXAGGSA-N -1 3 347.850 3.699 20 0 EHADHM C[C@H](NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1Cl ZINC000826232290 608564194 /nfs/dbraw/zinc/56/41/94/608564194.db2.gz SQXXTKWRXBAHGC-JTQLQIEISA-N -1 3 331.782 3.510 20 0 EHADHM C[C@H](Nc1ccc(OC(F)F)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824656157 609162078 /nfs/dbraw/zinc/16/20/78/609162078.db2.gz IGJRPSFMGOKEQJ-VIFPVBQESA-N -1 3 349.316 3.780 20 0 EHADHM C[C@H](Nc1ccc(OC(F)F)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824656157 609162079 /nfs/dbraw/zinc/16/20/79/609162079.db2.gz IGJRPSFMGOKEQJ-VIFPVBQESA-N -1 3 349.316 3.780 20 0 EHADHM CC(C)Oc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000824329631 609163721 /nfs/dbraw/zinc/16/37/21/609163721.db2.gz STSVMKDFHMTNEJ-LBPRGKRZSA-N -1 3 341.390 3.966 20 0 EHADHM CC(C)Oc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000824329631 609163723 /nfs/dbraw/zinc/16/37/23/609163723.db2.gz STSVMKDFHMTNEJ-LBPRGKRZSA-N -1 3 341.390 3.966 20 0 EHADHM C[C@H](Nc1cccc(OC(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662233 609164644 /nfs/dbraw/zinc/16/46/44/609164644.db2.gz GDZQEZFUYIXMTR-JTQLQIEISA-N -1 3 331.326 3.641 20 0 EHADHM C[C@H](Nc1cccc(OC(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662233 609164646 /nfs/dbraw/zinc/16/46/46/609164646.db2.gz GDZQEZFUYIXMTR-JTQLQIEISA-N -1 3 331.326 3.641 20 0 EHADHM C[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2F)[C@@H](c2ccco2)C1 ZINC000824963188 609164721 /nfs/dbraw/zinc/16/47/21/609164721.db2.gz ZNQBIVURZHYGJS-XHDPSFHLSA-N -1 3 327.363 3.576 20 0 EHADHM COc1cc(C)nc(CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826178598 609183706 /nfs/dbraw/zinc/18/37/06/609183706.db2.gz DRNLAMISAJXBPN-LBPRGKRZSA-N -1 3 341.440 3.573 20 0 EHADHM COc1cc(C)nc(CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826178598 609183708 /nfs/dbraw/zinc/18/37/08/609183708.db2.gz DRNLAMISAJXBPN-LBPRGKRZSA-N -1 3 341.440 3.573 20 0 EHADHM C[C@H](Nc1ccc(N(C)C)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824655832 609276537 /nfs/dbraw/zinc/27/65/37/609276537.db2.gz FZVHETYBBNNUDI-NSHDSACASA-N -1 3 342.834 3.759 20 0 EHADHM C[C@H](Nc1ccc(N(C)C)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824655832 609276538 /nfs/dbraw/zinc/27/65/38/609276538.db2.gz FZVHETYBBNNUDI-NSHDSACASA-N -1 3 342.834 3.759 20 0 EHADHM CSCc1cccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826229181 609278969 /nfs/dbraw/zinc/27/89/69/609278969.db2.gz SMINHHJBLCIBAE-LBPRGKRZSA-N -1 3 325.441 3.903 20 0 EHADHM CSCc1cccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826229181 609278970 /nfs/dbraw/zinc/27/89/70/609278970.db2.gz SMINHHJBLCIBAE-LBPRGKRZSA-N -1 3 325.441 3.903 20 0 EHADHM c1ccc(-c2ccc(OCc3cccc(-c4nnn[n-]4)c3)cn2)cc1 ZINC000826519352 609329978 /nfs/dbraw/zinc/32/99/78/609329978.db2.gz VMKQDOBEKYSQBL-UHFFFAOYSA-N -1 3 329.363 3.508 20 0 EHADHM c1ccc(-c2ccc(OCc3cccc(-c4nn[n-]n4)c3)cn2)cc1 ZINC000826519352 609329980 /nfs/dbraw/zinc/32/99/80/609329980.db2.gz VMKQDOBEKYSQBL-UHFFFAOYSA-N -1 3 329.363 3.508 20 0 EHADHM CCOc1cc(C)ccc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825616152 609349792 /nfs/dbraw/zinc/34/97/92/609349792.db2.gz YCVRAULWLOIYDH-GFCCVEGCSA-N -1 3 341.390 3.886 20 0 EHADHM CCOc1cc(C)ccc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825616152 609349794 /nfs/dbraw/zinc/34/97/94/609349794.db2.gz YCVRAULWLOIYDH-GFCCVEGCSA-N -1 3 341.390 3.886 20 0 EHADHM Cc1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)ccc1N(C)C ZINC000826270777 609350464 /nfs/dbraw/zinc/35/04/64/609350464.db2.gz OTPBTSABXWRNOB-GFCCVEGCSA-N -1 3 340.406 3.553 20 0 EHADHM Cc1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)ccc1N(C)C ZINC000826270777 609350466 /nfs/dbraw/zinc/35/04/66/609350466.db2.gz OTPBTSABXWRNOB-GFCCVEGCSA-N -1 3 340.406 3.553 20 0 EHADHM CC(C)(C)c1ccc(NCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000824135273 609474995 /nfs/dbraw/zinc/47/49/95/609474995.db2.gz DCLUTMCGQOMVQD-UHFFFAOYSA-N -1 3 325.391 3.915 20 0 EHADHM CC(C)(C)c1ccc(NCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000824135273 609474996 /nfs/dbraw/zinc/47/49/96/609474996.db2.gz DCLUTMCGQOMVQD-UHFFFAOYSA-N -1 3 325.391 3.915 20 0 EHADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cscc1Cl ZINC000825632561 609477996 /nfs/dbraw/zinc/47/79/96/609477996.db2.gz WXAHMZIGAUQBFK-UHFFFAOYSA-N -1 3 335.820 3.592 20 0 EHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cscc1Cl ZINC000825632561 609477998 /nfs/dbraw/zinc/47/79/98/609477998.db2.gz WXAHMZIGAUQBFK-UHFFFAOYSA-N -1 3 335.820 3.592 20 0 EHADHM CCC(C)=C(C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000825050917 609508015 /nfs/dbraw/zinc/50/80/15/609508015.db2.gz LQRUOGIKURXOQT-YHTNPHCKSA-N -1 3 345.472 3.738 20 0 EHADHM CC/C(C)=C(\C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000825050917 609508018 /nfs/dbraw/zinc/50/80/18/609508018.db2.gz LQRUOGIKURXOQT-YHTNPHCKSA-N -1 3 345.472 3.738 20 0 EHADHM CC[C@@H](Nc1ncc(Cl)c(C)c1-c1nnn[n-]1)c1nc(C)cs1 ZINC000825148755 609548102 /nfs/dbraw/zinc/54/81/02/609548102.db2.gz TURBUNHHJCWPLJ-SNVBAGLBSA-N -1 3 349.851 3.552 20 0 EHADHM CC[C@@H](Nc1ncc(Cl)c(C)c1-c1nn[n-]n1)c1nc(C)cs1 ZINC000825148755 609548103 /nfs/dbraw/zinc/54/81/03/609548103.db2.gz TURBUNHHJCWPLJ-SNVBAGLBSA-N -1 3 349.851 3.552 20 0 EHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1ccc(F)cc1F ZINC000820154962 945365775 /nfs/dbraw/zinc/36/57/75/945365775.db2.gz FGXAQXZRXTVNCZ-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1ccc(F)cc1F ZINC000820154962 945365778 /nfs/dbraw/zinc/36/57/78/945365778.db2.gz FGXAQXZRXTVNCZ-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM O=C([O-])[C@H](NCc1cc(F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000322466721 970891039 /nfs/dbraw/zinc/89/10/39/970891039.db2.gz ZHDLPMJZVAASAJ-CQSZACIVSA-N -1 3 327.277 3.760 20 0 EHADHM COc1cccc(CCCOc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737130142 944964098 /nfs/dbraw/zinc/96/40/98/944964098.db2.gz CVCQKBOQLKIWAK-UHFFFAOYSA-N -1 3 344.802 3.540 20 0 EHADHM COc1cccc(CCCOc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000737130142 944964102 /nfs/dbraw/zinc/96/41/02/944964102.db2.gz CVCQKBOQLKIWAK-UHFFFAOYSA-N -1 3 344.802 3.540 20 0 EHADHM CC[C@H](C)c1ccccc1OC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820882158 945582537 /nfs/dbraw/zinc/58/25/37/945582537.db2.gz LCBFZUUIVJKIJG-ZDUSSCGKSA-N -1 3 336.395 3.528 20 0 EHADHM CC[C@H](C)c1ccccc1OC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820882158 945582542 /nfs/dbraw/zinc/58/25/42/945582542.db2.gz LCBFZUUIVJKIJG-ZDUSSCGKSA-N -1 3 336.395 3.528 20 0 EHADHM CCCCN(CCCC)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821065752 945628420 /nfs/dbraw/zinc/62/84/20/945628420.db2.gz MKBGJTUDBLIPEO-CQSZACIVSA-N -1 3 344.463 3.540 20 0 EHADHM CCCCN(CCCC)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821065752 945628425 /nfs/dbraw/zinc/62/84/25/945628425.db2.gz MKBGJTUDBLIPEO-CQSZACIVSA-N -1 3 344.463 3.540 20 0 EHADHM CC(=O)c1ccc(-c2nnn[n-]2)c(N[C@@H](C)c2cccc(Cl)c2)c1 ZINC000824014020 946544223 /nfs/dbraw/zinc/54/42/23/946544223.db2.gz AXDYMEVRQJUITJ-JTQLQIEISA-N -1 3 341.802 3.896 20 0 EHADHM CC(=O)c1ccc(-c2nn[n-]n2)c(N[C@@H](C)c2cccc(Cl)c2)c1 ZINC000824014020 946544234 /nfs/dbraw/zinc/54/42/34/946544234.db2.gz AXDYMEVRQJUITJ-JTQLQIEISA-N -1 3 341.802 3.896 20 0 EHADHM Brc1cccc(-c2nnn[n-]2)c1N[C@H](C1CC1)C1CCC1 ZINC001573279289 946636810 /nfs/dbraw/zinc/63/68/10/946636810.db2.gz GYVLXETZFWZIOP-ZDUSSCGKSA-N -1 3 348.248 3.620 20 0 EHADHM Brc1cccc(-c2nn[n-]n2)c1N[C@H](C1CC1)C1CCC1 ZINC001573279289 946636813 /nfs/dbraw/zinc/63/68/13/946636813.db2.gz GYVLXETZFWZIOP-ZDUSSCGKSA-N -1 3 348.248 3.620 20 0 EHADHM Brc1cccc(-c2nnn[n-]2)c1N[C@H]1CC12CCCCC2 ZINC001573279728 946648636 /nfs/dbraw/zinc/64/86/36/946648636.db2.gz MPHYXSTVPWHNPL-LBPRGKRZSA-N -1 3 348.248 3.764 20 0 EHADHM Brc1cccc(-c2nn[n-]n2)c1N[C@H]1CC12CCCCC2 ZINC001573279728 946648642 /nfs/dbraw/zinc/64/86/42/946648642.db2.gz MPHYXSTVPWHNPL-LBPRGKRZSA-N -1 3 348.248 3.764 20 0 EHADHM CCCCC[C@H](CC)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825268583 947138133 /nfs/dbraw/zinc/13/81/33/947138133.db2.gz VMQXIIPAKHDYQY-KBPBESRZSA-N -1 3 329.448 3.650 20 0 EHADHM CCCCC[C@H](CC)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825268583 947138145 /nfs/dbraw/zinc/13/81/45/947138145.db2.gz VMQXIIPAKHDYQY-KBPBESRZSA-N -1 3 329.448 3.650 20 0 EHADHM COc1cc(C)nc(CSc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826179096 947554258 /nfs/dbraw/zinc/55/42/58/947554258.db2.gz ZEMURYYFKZRCLG-UHFFFAOYSA-N -1 3 347.831 3.524 20 0 EHADHM COc1cc(C)nc(CSc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826179096 947554269 /nfs/dbraw/zinc/55/42/69/947554269.db2.gz ZEMURYYFKZRCLG-UHFFFAOYSA-N -1 3 347.831 3.524 20 0 EHADHM O=C(CCCc1ccsc1)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826406816 948237568 /nfs/dbraw/zinc/23/75/68/948237568.db2.gz OJXZCYZVPPSIHK-UHFFFAOYSA-N -1 3 347.831 3.543 20 0 EHADHM O=C(CCCc1ccsc1)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826406816 948237580 /nfs/dbraw/zinc/23/75/80/948237580.db2.gz OJXZCYZVPPSIHK-UHFFFAOYSA-N -1 3 347.831 3.543 20 0 EHADHM CC(C)(C)c1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC001275482892 948496480 /nfs/dbraw/zinc/49/64/80/948496480.db2.gz DHJYDFLKIXSYLX-UHFFFAOYSA-N -1 3 339.374 3.556 20 0 EHADHM CC(C)(C)c1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC001275482892 948496483 /nfs/dbraw/zinc/49/64/83/948496483.db2.gz DHJYDFLKIXSYLX-UHFFFAOYSA-N -1 3 339.374 3.556 20 0 EHADHM C[C@@H]1CCC[C@H]1CNc1c(-c2nnn[n-]2)cnc2c(Cl)cccc21 ZINC001576156038 949431014 /nfs/dbraw/zinc/43/10/14/949431014.db2.gz LPRGOBSOUSXTLZ-MNOVXSKESA-N -1 3 342.834 3.916 20 0 EHADHM C[C@@H]1CCC[C@H]1CNc1c(-c2nn[n-]n2)cnc2c(Cl)cccc21 ZINC001576156038 949431034 /nfs/dbraw/zinc/43/10/34/949431034.db2.gz LPRGOBSOUSXTLZ-MNOVXSKESA-N -1 3 342.834 3.916 20 0 EHADHM CC(C)(C)c1csc(NC(=O)NCCCC2CC2)c1-c1nnn[n-]1 ZINC001573885145 950814085 /nfs/dbraw/zinc/81/40/85/950814085.db2.gz TVUPWWGBQHFELS-UHFFFAOYSA-N -1 3 348.476 3.537 20 0 EHADHM CC(C)(C)c1csc(NC(=O)NCCCC2CC2)c1-c1nn[n-]n1 ZINC001573885145 950814094 /nfs/dbraw/zinc/81/40/94/950814094.db2.gz TVUPWWGBQHFELS-UHFFFAOYSA-N -1 3 348.476 3.537 20 0 EHADHM CC1(C)CC(CNC(=O)c2csc(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC001575638989 950849746 /nfs/dbraw/zinc/84/97/46/950849746.db2.gz LPYGBTCNXDNJGJ-UHFFFAOYSA-N -1 3 347.488 3.511 20 0 EHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)CC1CCCCCC1 ZINC001573888139 950861909 /nfs/dbraw/zinc/86/19/09/950861909.db2.gz OYXVPYDLDJFIKM-UHFFFAOYSA-N -1 3 344.463 3.722 20 0 EHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)CC1CCCCCC1 ZINC001573888139 950861926 /nfs/dbraw/zinc/86/19/26/950861926.db2.gz OYXVPYDLDJFIKM-UHFFFAOYSA-N -1 3 344.463 3.722 20 0 EHADHM C[C@H](COCc1ccccc1)CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000719509186 955169613 /nfs/dbraw/zinc/16/96/13/955169613.db2.gz ZTFIKIXVZCPTAP-OXJNMPFZSA-N -1 3 339.435 3.523 20 0 EHADHM COc1ccc([C@@H](C)NCc2ccc(C(=O)[O-])s2)c(C)c1OC ZINC000903687581 956868608 /nfs/dbraw/zinc/86/86/08/956868608.db2.gz GIBGVHQITJJQRH-LLVKDONJSA-N -1 3 335.425 3.623 20 0 EHADHM Cc1ccc(-c2csc(CN3CC[C@@H](C(=O)[O-])[C@H](C)C3)n2)cc1 ZINC001574347153 960968641 /nfs/dbraw/zinc/96/86/41/960968641.db2.gz CAUFCQSZNMKWPM-UKRRQHHQSA-N -1 3 330.453 3.661 20 0 EHADHM O=C([O-])c1cccc(CN2CCC[C@H]2CC(=O)c2ccc(F)cc2)c1 ZINC000263442561 962624014 /nfs/dbraw/zinc/62/40/14/962624014.db2.gz DXTLQAFHTNFZGL-SFHVURJKSA-N -1 3 341.382 3.761 20 0 EHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cscc2Br)C1 ZINC000302691415 963100747 /nfs/dbraw/zinc/10/07/47/963100747.db2.gz SQYKGXTUVRZVGG-NSHDSACASA-N -1 3 346.290 3.833 20 0 EHADHM CC[C@H](NCc1cc(=O)[n-]c(-c2ccccc2)n1)c1c(C)noc1C ZINC000459408023 1032073787 /nfs/dbraw/zinc/07/37/87/1032073787.db2.gz PTMOCMXRWPYVSH-INIZCTEOSA-N -1 3 338.411 3.695 20 0 EHADHM COc1ccccc1-c1nc(CN2CCCC[C@@H]2CCC(=O)[O-])co1 ZINC000872160967 969350912 /nfs/dbraw/zinc/35/09/12/969350912.db2.gz PVLPFQXBSAPLCW-OAHLLOKOSA-N -1 3 344.411 3.570 20 0 EHADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)o1 ZINC000538005941 1032077637 /nfs/dbraw/zinc/07/76/37/1032077637.db2.gz BJBLXLPBLDNPBT-QSGSBWRWSA-N -1 3 339.844 3.917 20 0 EHADHM Cc1cc(Br)ccc1CN1CCCC[C@@H]1CC(=O)[O-] ZINC000395221384 972782754 /nfs/dbraw/zinc/78/27/54/972782754.db2.gz MPPSYZLPCYWCMQ-CQSZACIVSA-N -1 3 326.234 3.587 20 0 EHADHM Cc1nn(-c2ccc(C)cc2)cc1CN[C@@H](C(=O)[O-])c1cccc(C)c1 ZINC001605240451 972998583 /nfs/dbraw/zinc/99/85/83/972998583.db2.gz MAJGEQCXGMGXAY-HXUWFJFHSA-N -1 3 349.434 3.713 20 0 EHADHM O=C(CCCCCc1cccs1)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000339278927 1014147459 /nfs/dbraw/zinc/14/74/59/1014147459.db2.gz ATYXREGRCNKMDS-UHFFFAOYSA-N -1 3 340.452 3.697 20 0 EHADHM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1coc(-c2ccc(F)cc2)n1 ZINC000530178274 974363717 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1137975933 /nfs/dbraw/zinc/97/59/33/1137975933.db2.gz CULJAJHMDNHCPX-UHFFFAOYSA-N -1 3 340.355 3.684 20 0 EHADHM Cc1nocc1S(=O)(=O)[N-][C@H]1CCC(C)(C)C[C@H]1c1ccccc1 ZINC001671101008 1138044595 /nfs/dbraw/zinc/04/45/95/1138044595.db2.gz SEWJMXUXGXTJLW-HOTGVXAUSA-N -1 3 348.468 3.624 20 0 EHADHM CC(C)c1ccc(C(=O)N2CCC[C@@H](C3CCOCC3)C2)c([O-])c1 ZINC000886152945 1138053181 /nfs/dbraw/zinc/05/31/81/1138053181.db2.gz SNMUEHMYMPTTLF-QGZVFWFLSA-N -1 3 331.456 3.794 20 0 EHADHM CC[C@](C)(NCc1cc(=O)oc2c(C)c([O-])ccc12)c1nccs1 ZINC000072683794 1138107152 /nfs/dbraw/zinc/10/71/52/1138107152.db2.gz LKBLFOMPBKZHIJ-SFHVURJKSA-N -1 3 344.436 3.679 20 0 EHADHM C[C@H](CC1CCCCC1)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000074691530 1138123232 /nfs/dbraw/zinc/12/32/32/1138123232.db2.gz VHZZIGRWBGPRHI-CYBMUJFWSA-N -1 3 338.473 3.603 20 0 EHADHM CCc1cc2c(CN(C)[C@H](C)c3ccccn3)cc(=O)oc2cc1[O-] ZINC000091703505 1138220553 /nfs/dbraw/zinc/22/05/53/1138220553.db2.gz WDLPFXYMUJNACS-CYBMUJFWSA-N -1 3 338.407 3.649 20 0 EHADHM Cc1nc(-c2ccc(NC(=O)NC3(C4CC4)CCC3)cc2)cc(=O)[n-]1 ZINC000887243091 1138246058 /nfs/dbraw/zinc/24/60/58/1138246058.db2.gz BAEKUUFAHGACAB-UHFFFAOYSA-N -1 3 338.411 3.612 20 0 EHADHM CC[C@@H]1c2ccsc2CCN1C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000121839294 1138250923 /nfs/dbraw/zinc/25/09/23/1138250923.db2.gz AIDUKNHMFMUGJA-OAHLLOKOSA-N -1 3 344.436 3.562 20 0 EHADHM O=c1nc(CSC2CCOCC2)[n-]c2scc(-c3ccco3)c21 ZINC000131261978 1138505687 /nfs/dbraw/zinc/50/56/87/1138505687.db2.gz VESCFZBXBJGDCF-UHFFFAOYSA-N -1 3 348.449 3.657 20 0 EHADHM O=C(NCc1ncccc1[O-])Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000348446220 1138552026 /nfs/dbraw/zinc/55/20/26/1138552026.db2.gz HFEJCFOLYACEMC-UHFFFAOYSA-N -1 3 345.708 3.781 20 0 EHADHM C[C@@H](CC(=O)[N-]OCc1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000152574463 1139098545 /nfs/dbraw/zinc/09/85/45/1139098545.db2.gz VFHWJTBSQKWPOL-LBPRGKRZSA-N -1 3 338.329 3.842 20 0 EHADHM CC[C@H](C)c1ccc(COC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1 ZINC000777346505 1139772780 /nfs/dbraw/zinc/77/27/80/1139772780.db2.gz MCKIONCGMXJLJH-LBPRGKRZSA-N -1 3 328.412 3.598 20 0 EHADHM C[C@]1(CNC(=O)c2c[n-]c3ccccc3c2=O)CCCc2ccccc21 ZINC000182213333 1139958708 /nfs/dbraw/zinc/95/87/08/1139958708.db2.gz ZEJBJHFRCFMEMK-JOCHJYFZSA-N -1 3 346.430 3.552 20 0 EHADHM Cc1nc(C)c([C@H](C)N(C)Cc2cc(=O)oc3cc([O-])ccc23)s1 ZINC000182251304 1139961108 /nfs/dbraw/zinc/96/11/08/1139961108.db2.gz ZPQPGWMKJCPVQS-NSHDSACASA-N -1 3 344.436 3.765 20 0 EHADHM COc1cc(C(=O)N[C@H](CC(C)(C)C)C(F)(F)F)cc(OC)c1[O-] ZINC000183604340 1140049481 /nfs/dbraw/zinc/04/94/81/1140049481.db2.gz NUJMJDORKPQHMK-GFCCVEGCSA-N -1 3 349.349 3.506 20 0 EHADHM O=C(CC1(CSc2ccccc2)CC1)[N-]OCc1cccnc1 ZINC000184988797 1140129658 /nfs/dbraw/zinc/12/96/58/1140129658.db2.gz ZITSORSTUMNQEN-UHFFFAOYSA-N -1 3 328.437 3.592 20 0 EHADHM O=C(c1ccc2c(c1[O-])CCCC2)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000185820521 1140172081 /nfs/dbraw/zinc/17/20/81/1140172081.db2.gz SMYHGBXEIDVMPH-AWEZNQCLSA-N -1 3 347.414 3.992 20 0 EHADHM Cc1nc(C)c(CCC(=O)NC(C)(C)CC2CCCCCC2)c(=O)[n-]1 ZINC000188903982 1140312952 /nfs/dbraw/zinc/31/29/52/1140312952.db2.gz LJEOZKHIUBWGOQ-UHFFFAOYSA-N -1 3 347.503 3.575 20 0 EHADHM CCc1ccc(C(=O)N2CCC[C@@H]2c2ccc(COC)o2)c([O-])c1 ZINC000189805361 1140363831 /nfs/dbraw/zinc/36/38/31/1140363831.db2.gz AXLUBYJJAWLBRH-MRXNPFEDSA-N -1 3 329.396 3.671 20 0 EHADHM CC(C)(C)c1ncsc1C(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000266919541 1140738530 /nfs/dbraw/zinc/73/85/30/1140738530.db2.gz HSPIVTVOMHXFFX-UHFFFAOYSA-N -1 3 334.426 3.804 20 0 EHADHM CCO[C@@H](CCNC(=O)c1c[n-]c2ccccc2c1=O)C1CCCC1 ZINC000267014109 1140750524 /nfs/dbraw/zinc/75/05/24/1140750524.db2.gz PCZWRWPUUOTPOJ-SFHVURJKSA-N -1 3 342.439 3.656 20 0 EHADHM CCO[C@@H]1C[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C1(CC)CC ZINC000267281179 1140775279 /nfs/dbraw/zinc/77/52/79/1140775279.db2.gz KTOKVGNSHGDHOV-QZTJIDSGSA-N -1 3 342.439 3.654 20 0 EHADHM CC(C)c1csc(C[N-]C(=O)C(F)(F)c2ccccc2F)n1 ZINC000270887410 1141279529 /nfs/dbraw/zinc/27/95/29/1141279529.db2.gz OTRALYPODJQBMS-UHFFFAOYSA-N -1 3 328.359 3.814 20 0 EHADHM CCc1nc([C@@H](C)[N-]C(=O)C(F)(F)c2ccccc2F)cs1 ZINC000270969228 1141288409 /nfs/dbraw/zinc/28/84/09/1141288409.db2.gz JBGCBKBMYUNXDI-SECBINFHSA-N -1 3 328.359 3.814 20 0 EHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1C(F)(F)F ZINC000107172866 1141498316 /nfs/dbraw/zinc/49/83/16/1141498316.db2.gz QPRXUDQRJQDWLK-UHFFFAOYSA-N -1 3 345.342 3.823 20 0 EHADHM Cc1cc(C(=O)[N-]c2nnc(CC(C)C)s2)c(C(F)(F)F)o1 ZINC000274386312 1141512392 /nfs/dbraw/zinc/51/23/92/1141512392.db2.gz AFENKDXKPUBZGU-UHFFFAOYSA-N -1 3 333.335 3.909 20 0 EHADHM COC(=O)c1cccc2[n-]c(NC(=O)C3(CC(C)C)CCC3)nc21 ZINC000348561633 1141552177 /nfs/dbraw/zinc/55/21/77/1141552177.db2.gz KQMJOEFZBHGDKW-UHFFFAOYSA-N -1 3 329.400 3.504 20 0 EHADHM Cc1ccc(-c2csc3[n-]c(-c4cnn(C)c4)nc(=O)c23)cc1C ZINC000054753390 214254140 /nfs/dbraw/zinc/25/41/40/214254140.db2.gz LAVYCRKHKXYCLB-UHFFFAOYSA-N -1 3 336.420 3.669 20 0 EHADHM CC(C)c1ccc(C(=O)CSc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000078768106 217116436 /nfs/dbraw/zinc/11/64/36/217116436.db2.gz WKDKXTRQFSXIGB-UHFFFAOYSA-N -1 3 338.436 3.965 20 0 EHADHM C[C@H]1C[C@H](C)CN(Cc2cc(C(=O)[O-])ccc2Br)C1 ZINC000675074082 564112925 /nfs/dbraw/zinc/11/29/25/564112925.db2.gz XHVHGWCNTOAKJE-QWRGUYRKSA-N -1 3 326.234 3.625 20 0 EHADHM CCCC[C@@H](CC)Cn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000736439618 598825400 /nfs/dbraw/zinc/82/54/00/598825400.db2.gz XNXXXRDQIIZXPW-CQSZACIVSA-N -1 3 339.447 3.650 20 0 EHADHM CCCC[C@@H](CC)Cn1c(C)nnc1-c1cccc(-c2nn[n-]n2)c1 ZINC000736439618 598825401 /nfs/dbraw/zinc/82/54/01/598825401.db2.gz XNXXXRDQIIZXPW-CQSZACIVSA-N -1 3 339.447 3.650 20 0 EHADHM Cc1ccccc1[C@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000737421439 598938506 /nfs/dbraw/zinc/93/85/06/598938506.db2.gz INOFSXBTLQWOBX-OAHLLOKOSA-N -1 3 340.818 3.565 20 0 EHADHM Cc1ccccc1[C@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000737421439 598938507 /nfs/dbraw/zinc/93/85/07/598938507.db2.gz INOFSXBTLQWOBX-OAHLLOKOSA-N -1 3 340.818 3.565 20 0 EHADHM Cc1ccc([C@H](C)N(C)c2ncc(-c3nnn[n-]3)cc2Cl)c(C)c1 ZINC000737320495 598938521 /nfs/dbraw/zinc/93/85/21/598938521.db2.gz LMGMOVUWVIMKTD-LBPRGKRZSA-N -1 3 342.834 3.729 20 0 EHADHM Cc1ccc([C@H](C)N(C)c2ncc(-c3nn[n-]n3)cc2Cl)c(C)c1 ZINC000737320495 598938522 /nfs/dbraw/zinc/93/85/22/598938522.db2.gz LMGMOVUWVIMKTD-LBPRGKRZSA-N -1 3 342.834 3.729 20 0 EHADHM Cc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)cc1OC(F)F ZINC000737361546 598946547 /nfs/dbraw/zinc/94/65/47/598946547.db2.gz IUVAWYIKPMKFAS-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM Cc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)cc1OC(F)F ZINC000737361546 598946549 /nfs/dbraw/zinc/94/65/49/598946549.db2.gz IUVAWYIKPMKFAS-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM CC(C)C[C@H]1CCCCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735794804 599011902 /nfs/dbraw/zinc/01/19/02/599011902.db2.gz FGXYCDMRWRQMGR-MRXNPFEDSA-N -1 3 342.447 3.689 20 0 EHADHM CC(C)C[C@H]1CCCCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735794804 599011904 /nfs/dbraw/zinc/01/19/04/599011904.db2.gz FGXYCDMRWRQMGR-MRXNPFEDSA-N -1 3 342.447 3.689 20 0 EHADHM C[C@@H](CNc1c(Cl)cccc1-c1nnn[n-]1)Oc1cccc(F)c1 ZINC000820275042 599058990 /nfs/dbraw/zinc/05/89/90/599058990.db2.gz MTJLVWPOBJRZPG-JTQLQIEISA-N -1 3 347.781 3.539 20 0 EHADHM C[C@@H](CNc1c(Cl)cccc1-c1nn[n-]n1)Oc1cccc(F)c1 ZINC000820275042 599058992 /nfs/dbraw/zinc/05/89/92/599058992.db2.gz MTJLVWPOBJRZPG-JTQLQIEISA-N -1 3 347.781 3.539 20 0 EHADHM C[C@@H]1C[C@H](c2ccccc2)CN1c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000736235676 599060498 /nfs/dbraw/zinc/06/04/98/599060498.db2.gz PIIFNTNHLQSDHG-RISCZKNCSA-N -1 3 341.365 3.527 20 0 EHADHM C[C@@H]1C[C@H](c2ccccc2)CN1c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000736235676 599060500 /nfs/dbraw/zinc/06/05/00/599060500.db2.gz PIIFNTNHLQSDHG-RISCZKNCSA-N -1 3 341.365 3.527 20 0 EHADHM Cc1ccc(CC[C@H](C)Nc2cc(-c3nnn[n-]3)c3ccccc3n2)o1 ZINC000822236003 599064917 /nfs/dbraw/zinc/06/49/17/599064917.db2.gz GDVSNRWKYJAVEO-LBPRGKRZSA-N -1 3 348.410 3.750 20 0 EHADHM Cc1ccc(CC[C@H](C)Nc2cc(-c3nn[n-]n3)c3ccccc3n2)o1 ZINC000822236003 599064919 /nfs/dbraw/zinc/06/49/19/599064919.db2.gz GDVSNRWKYJAVEO-LBPRGKRZSA-N -1 3 348.410 3.750 20 0 EHADHM Cc1cccc([C@H](C)Nc2nc3c(cc2-c2nnn[n-]2)CCC3)c1C ZINC000737388149 599066605 /nfs/dbraw/zinc/06/66/05/599066605.db2.gz LBAOGAHECOLDHM-ZDUSSCGKSA-N -1 3 334.427 3.540 20 0 EHADHM Cc1cccc([C@H](C)Nc2nc3c(cc2-c2nn[n-]n2)CCC3)c1C ZINC000737388149 599066608 /nfs/dbraw/zinc/06/66/08/599066608.db2.gz LBAOGAHECOLDHM-ZDUSSCGKSA-N -1 3 334.427 3.540 20 0 EHADHM CC[C@H](C)C[C@H](C)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000820870094 599067700 /nfs/dbraw/zinc/06/77/00/599067700.db2.gz MRDYPCVRXSWINI-IUCAKERBSA-N -1 3 328.342 3.517 20 0 EHADHM CC[C@H](C)C[C@H](C)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000820870094 599067703 /nfs/dbraw/zinc/06/77/03/599067703.db2.gz MRDYPCVRXSWINI-IUCAKERBSA-N -1 3 328.342 3.517 20 0 EHADHM CCCCC[C@H](C)CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC000821048695 599143502 /nfs/dbraw/zinc/14/35/02/599143502.db2.gz GBEXAJJNUOXCHK-ZDUSSCGKSA-N -1 3 345.447 3.810 20 0 EHADHM CCCCC[C@H](C)CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC000821048695 599143504 /nfs/dbraw/zinc/14/35/04/599143504.db2.gz GBEXAJJNUOXCHK-ZDUSSCGKSA-N -1 3 345.447 3.810 20 0 EHADHM CC(C)(C)[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000735596049 599170334 /nfs/dbraw/zinc/17/03/34/599170334.db2.gz IIEJTDJXDTYBGG-GFCCVEGCSA-N -1 3 334.855 3.568 20 0 EHADHM CC(C)(C)[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000735596049 599170337 /nfs/dbraw/zinc/17/03/37/599170337.db2.gz IIEJTDJXDTYBGG-GFCCVEGCSA-N -1 3 334.855 3.568 20 0 EHADHM C[C@@H]1CCCC[C@H]1OCCSc1ccc(-c2nnn[n-]2)cc1F ZINC000736269430 599171099 /nfs/dbraw/zinc/17/10/99/599171099.db2.gz GWJRLHQCZVEPGU-BXUZGUMPSA-N -1 3 336.436 3.693 20 0 EHADHM C[C@@H]1CCCC[C@H]1OCCSc1ccc(-c2nn[n-]n2)cc1F ZINC000736269430 599171101 /nfs/dbraw/zinc/17/11/01/599171101.db2.gz GWJRLHQCZVEPGU-BXUZGUMPSA-N -1 3 336.436 3.693 20 0 EHADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N3CCCCCCC3)c2c1 ZINC000737572940 599253082 /nfs/dbraw/zinc/25/30/82/599253082.db2.gz HKKRMSVHGHGDPK-UHFFFAOYSA-N -1 3 342.834 3.839 20 0 EHADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N3CCCCCCC3)c2c1 ZINC000737572940 599253084 /nfs/dbraw/zinc/25/30/84/599253084.db2.gz HKKRMSVHGHGDPK-UHFFFAOYSA-N -1 3 342.834 3.839 20 0 EHADHM Cc1c(NC(=O)c2ccc(Cl)cc2Cl)cccc1-c1nnn[n-]1 ZINC000822109392 607294228 /nfs/dbraw/zinc/29/42/28/607294228.db2.gz RBNABHZMSHNAHV-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1c(NC(=O)c2ccc(Cl)cc2Cl)cccc1-c1nn[n-]n1 ZINC000822109392 607294229 /nfs/dbraw/zinc/29/42/29/607294229.db2.gz RBNABHZMSHNAHV-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM CC1CCN(c2cccc(NCc3ccc(-c4nnn[n-]4)cc3)c2)CC1 ZINC000820727001 607317614 /nfs/dbraw/zinc/31/76/14/607317614.db2.gz FEXYPFXLVXDEOJ-UHFFFAOYSA-N -1 3 348.454 3.715 20 0 EHADHM CC1CCN(c2cccc(NCc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000820727001 607317615 /nfs/dbraw/zinc/31/76/15/607317615.db2.gz FEXYPFXLVXDEOJ-UHFFFAOYSA-N -1 3 348.454 3.715 20 0 EHADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1nc2ccccc2s1 ZINC000737220472 599282831 /nfs/dbraw/zinc/28/28/31/599282831.db2.gz AKUZAZMHYUTXHU-UHFFFAOYSA-N -1 3 337.408 3.672 20 0 EHADHM Cc1cccc(-c2cccc(CNc3ccc(-c4nnn[n-]4)cn3)c2)c1 ZINC000737380570 598368535 /nfs/dbraw/zinc/36/85/35/598368535.db2.gz OVMBEESLPHZGGV-UHFFFAOYSA-N -1 3 342.406 3.849 20 0 EHADHM Cc1cccc(-c2cccc(CNc3ccc(-c4nn[n-]n4)cn3)c2)c1 ZINC000737380570 598368537 /nfs/dbraw/zinc/36/85/37/598368537.db2.gz OVMBEESLPHZGGV-UHFFFAOYSA-N -1 3 342.406 3.849 20 0 EHADHM C[C@H]1CCC[C@H](CC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC000736252217 598490259 /nfs/dbraw/zinc/49/02/59/598490259.db2.gz PYZSPHRSLHIGQB-STQMWFEESA-N -1 3 344.463 3.578 20 0 EHADHM C[C@H]1CCC[C@H](CC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC000736252217 598490260 /nfs/dbraw/zinc/49/02/60/598490260.db2.gz PYZSPHRSLHIGQB-STQMWFEESA-N -1 3 344.463 3.578 20 0 EHADHM C[C@H](OC(=O)c1cc(Cl)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000736159263 598491691 /nfs/dbraw/zinc/49/16/91/598491691.db2.gz LKOPRSTXKDIBTC-VIFPVBQESA-N -1 3 346.749 3.577 20 0 EHADHM C[C@H](OC(=O)c1cc(Cl)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000736159263 598491693 /nfs/dbraw/zinc/49/16/93/598491693.db2.gz LKOPRSTXKDIBTC-VIFPVBQESA-N -1 3 346.749 3.577 20 0 EHADHM C[C@@H](OC(=O)c1cc(Cl)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000736159259 598491934 /nfs/dbraw/zinc/49/19/34/598491934.db2.gz LKOPRSTXKDIBTC-SECBINFHSA-N -1 3 346.749 3.577 20 0 EHADHM C[C@@H](OC(=O)c1cc(Cl)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000736159259 598491937 /nfs/dbraw/zinc/49/19/37/598491937.db2.gz LKOPRSTXKDIBTC-SECBINFHSA-N -1 3 346.749 3.577 20 0 EHADHM Brc1cccc(SCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735369797 598537064 /nfs/dbraw/zinc/53/70/64/598537064.db2.gz WSJZOJZRDALBMW-UHFFFAOYSA-N -1 3 347.241 3.922 20 0 EHADHM Brc1cccc(SCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735369797 598537066 /nfs/dbraw/zinc/53/70/66/598537066.db2.gz WSJZOJZRDALBMW-UHFFFAOYSA-N -1 3 347.241 3.922 20 0 EHADHM Fc1cc(OCc2ccc(C(F)(F)F)cc2)ccc1-c1nnn[n-]1 ZINC000737653042 598549341 /nfs/dbraw/zinc/54/93/41/598549341.db2.gz PYPPXOGXEDZUTL-UHFFFAOYSA-N -1 3 338.264 3.604 20 0 EHADHM Fc1cc(OCc2ccc(C(F)(F)F)cc2)ccc1-c1nn[n-]n1 ZINC000737653042 598549342 /nfs/dbraw/zinc/54/93/42/598549342.db2.gz PYPPXOGXEDZUTL-UHFFFAOYSA-N -1 3 338.264 3.604 20 0 EHADHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)c(Cl)c2)Cc2ccccc21 ZINC000736291373 598635906 /nfs/dbraw/zinc/63/59/06/598635906.db2.gz WBWUHXIJKNJNSV-NSHDSACASA-N -1 3 325.803 3.644 20 0 EHADHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)c(Cl)c2)Cc2ccccc21 ZINC000736291373 598635908 /nfs/dbraw/zinc/63/59/08/598635908.db2.gz WBWUHXIJKNJNSV-NSHDSACASA-N -1 3 325.803 3.644 20 0 EHADHM CC(C)[C@@H](CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735707494 598655928 /nfs/dbraw/zinc/65/59/28/598655928.db2.gz HSIWYRQCJLWZLK-GOSISDBHSA-N -1 3 349.438 3.659 20 0 EHADHM CC(C)[C@@H](CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735707494 598655929 /nfs/dbraw/zinc/65/59/29/598655929.db2.gz HSIWYRQCJLWZLK-GOSISDBHSA-N -1 3 349.438 3.659 20 0 EHADHM CC(C)c1nc(CCNc2ccc(-c3nnn[n-]3)c(Cl)c2)cs1 ZINC000735940019 598669128 /nfs/dbraw/zinc/66/91/28/598669128.db2.gz OXEWASITHVOTLE-UHFFFAOYSA-N -1 3 348.863 3.755 20 0 EHADHM CC(C)c1nc(CCNc2ccc(-c3nn[n-]n3)c(Cl)c2)cs1 ZINC000735940019 598669130 /nfs/dbraw/zinc/66/91/30/598669130.db2.gz OXEWASITHVOTLE-UHFFFAOYSA-N -1 3 348.863 3.755 20 0 EHADHM Clc1cc(N2CCCc3sccc3C2)ccc1-c1nnn[n-]1 ZINC000737565682 598674178 /nfs/dbraw/zinc/67/41/78/598674178.db2.gz OJYCCFXYEUVWMY-UHFFFAOYSA-N -1 3 331.832 3.534 20 0 EHADHM Clc1cc(N2CCCc3sccc3C2)ccc1-c1nn[n-]n1 ZINC000737565682 598674179 /nfs/dbraw/zinc/67/41/79/598674179.db2.gz OJYCCFXYEUVWMY-UHFFFAOYSA-N -1 3 331.832 3.534 20 0 EHADHM Fc1cccc(N2CC[C@H](c3ccc(Cl)cc3)C2)c1-c1nnn[n-]1 ZINC000737660303 598680299 /nfs/dbraw/zinc/68/02/99/598680299.db2.gz IEGWZMMYXUHNQK-LBPRGKRZSA-N -1 3 343.793 3.653 20 0 EHADHM Fc1cccc(N2CC[C@H](c3ccc(Cl)cc3)C2)c1-c1nn[n-]n1 ZINC000737660303 598680300 /nfs/dbraw/zinc/68/03/00/598680300.db2.gz IEGWZMMYXUHNQK-LBPRGKRZSA-N -1 3 343.793 3.653 20 0 EHADHM Fc1cccc(Cl)c1CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000737662267 598794800 /nfs/dbraw/zinc/79/48/00/598794800.db2.gz SQJLRPVGXBMOLY-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM Fc1cccc(Cl)c1CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000737662267 598794802 /nfs/dbraw/zinc/79/48/02/598794802.db2.gz SQJLRPVGXBMOLY-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM CC(C)[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000735704039 598803808 /nfs/dbraw/zinc/80/38/08/598803808.db2.gz ZENHICACZLCAQY-LLVKDONJSA-N -1 3 347.488 3.818 20 0 EHADHM CC(C)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000735704039 598803810 /nfs/dbraw/zinc/80/38/10/598803810.db2.gz ZENHICACZLCAQY-LLVKDONJSA-N -1 3 347.488 3.818 20 0 EHADHM CC[C@H](Nc1cccc(F)c1-c1nnn[n-]1)c1ccccc1OC ZINC000736369054 598814374 /nfs/dbraw/zinc/81/43/74/598814374.db2.gz KIGXSMMXWCRRRP-ZDUSSCGKSA-N -1 3 327.363 3.578 20 0 EHADHM CC[C@H](Nc1cccc(F)c1-c1nn[n-]n1)c1ccccc1OC ZINC000736369054 598814375 /nfs/dbraw/zinc/81/43/75/598814375.db2.gz KIGXSMMXWCRRRP-ZDUSSCGKSA-N -1 3 327.363 3.578 20 0 EHADHM CCC[C@@H](CC1CCCCC1)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736422734 598822346 /nfs/dbraw/zinc/82/23/46/598822346.db2.gz OSKCYIBTTRWGJD-AWEZNQCLSA-N -1 3 342.447 3.587 20 0 EHADHM CCC[C@@H](CC1CCCCC1)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736422734 598822347 /nfs/dbraw/zinc/82/23/47/598822347.db2.gz OSKCYIBTTRWGJD-AWEZNQCLSA-N -1 3 342.447 3.587 20 0 EHADHM CC(C)n1ccc(CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000736190636 599326277 /nfs/dbraw/zinc/32/62/77/599326277.db2.gz GDPLVKPEKGBMME-LBPRGKRZSA-N -1 3 328.445 3.639 20 0 EHADHM CC(C)n1ccc(CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736190636 599326280 /nfs/dbraw/zinc/32/62/80/599326280.db2.gz GDPLVKPEKGBMME-LBPRGKRZSA-N -1 3 328.445 3.639 20 0 EHADHM FC(F)(F)Cc1cccc(NCc2ccccc2-c2nnn[n-]2)c1 ZINC000737625510 599333274 /nfs/dbraw/zinc/33/32/74/599333274.db2.gz BAXAPXVTOXHEKU-UHFFFAOYSA-N -1 3 333.317 3.584 20 0 EHADHM FC(F)(F)Cc1cccc(NCc2ccccc2-c2nn[n-]n2)c1 ZINC000737625510 599333278 /nfs/dbraw/zinc/33/32/78/599333278.db2.gz BAXAPXVTOXHEKU-UHFFFAOYSA-N -1 3 333.317 3.584 20 0 EHADHM C[C@@H](Nc1cc(Cl)ccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000736140288 599394315 /nfs/dbraw/zinc/39/43/15/599394315.db2.gz SZGLMHDLPRVDJP-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@@H](Nc1cc(Cl)ccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000736140288 599394318 /nfs/dbraw/zinc/39/43/18/599394318.db2.gz SZGLMHDLPRVDJP-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM Fc1ccc2c(c1)CC[C@H]2Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737664825 599416906 /nfs/dbraw/zinc/41/69/06/599416906.db2.gz DWCZLDHBXKEHQJ-QGZVFWFLSA-N -1 3 346.369 3.653 20 0 EHADHM Fc1ccc2c(c1)CC[C@H]2Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737664825 599416909 /nfs/dbraw/zinc/41/69/09/599416909.db2.gz DWCZLDHBXKEHQJ-QGZVFWFLSA-N -1 3 346.369 3.653 20 0 EHADHM Fc1ccc(NCc2ccc(Cl)cc2Cl)c(-c2nnn[n-]2)c1 ZINC000822782947 599466600 /nfs/dbraw/zinc/46/66/00/599466600.db2.gz NBGZZOKGIJHDOX-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM Fc1ccc(NCc2ccc(Cl)cc2Cl)c(-c2nn[n-]n2)c1 ZINC000822782947 599466602 /nfs/dbraw/zinc/46/66/02/599466602.db2.gz NBGZZOKGIJHDOX-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1ccc(-c2nn[n-]n2)cc1F ZINC000736237601 599472055 /nfs/dbraw/zinc/47/20/55/599472055.db2.gz YBBUHOJRGHTPER-BXUZGUMPSA-N -1 3 341.365 3.527 20 0 EHADHM C[C@H]1C[C@@H]1c1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)o1 ZINC000820677708 599484553 /nfs/dbraw/zinc/48/45/53/599484553.db2.gz SAGZHAGNUSIIIS-CABZTGNLSA-N -1 3 329.791 3.849 20 0 EHADHM C[C@H]1C[C@@H]1c1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)o1 ZINC000820677708 599484554 /nfs/dbraw/zinc/48/45/54/599484554.db2.gz SAGZHAGNUSIIIS-CABZTGNLSA-N -1 3 329.791 3.849 20 0 EHADHM Fc1ccc(NCc2cccc(Cl)c2Cl)c(-c2nnn[n-]2)c1 ZINC000822783077 599504087 /nfs/dbraw/zinc/50/40/87/599504087.db2.gz UIWLHKZNZDWUKZ-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM Fc1ccc(NCc2cccc(Cl)c2Cl)c(-c2nn[n-]n2)c1 ZINC000822783077 599504089 /nfs/dbraw/zinc/50/40/89/599504089.db2.gz UIWLHKZNZDWUKZ-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM CCOc1ccccc1[C@@H](C)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821431277 599503972 /nfs/dbraw/zinc/50/39/72/599503972.db2.gz OHGVDORJXFBKPT-LLVKDONJSA-N -1 3 327.363 3.578 20 0 EHADHM CCOc1ccccc1[C@@H](C)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821431277 599503974 /nfs/dbraw/zinc/50/39/74/599503974.db2.gz OHGVDORJXFBKPT-LLVKDONJSA-N -1 3 327.363 3.578 20 0 EHADHM CC(C)c1nc(CCNc2c(Cl)cccc2-c2nnn[n-]2)cs1 ZINC000820203348 599515738 /nfs/dbraw/zinc/51/57/38/599515738.db2.gz SHTATFBLZUQMAU-UHFFFAOYSA-N -1 3 348.863 3.755 20 0 EHADHM CC(C)c1nc(CCNc2c(Cl)cccc2-c2nn[n-]n2)cs1 ZINC000820203348 599515739 /nfs/dbraw/zinc/51/57/39/599515739.db2.gz SHTATFBLZUQMAU-UHFFFAOYSA-N -1 3 348.863 3.755 20 0 EHADHM C[C@H](CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000820321689 599533357 /nfs/dbraw/zinc/53/33/57/599533357.db2.gz KWZGDICWNFKTIY-ZIAGYGMSSA-N -1 3 341.459 3.650 20 0 EHADHM C[C@H](CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000820321689 599533359 /nfs/dbraw/zinc/53/33/59/599533359.db2.gz KWZGDICWNFKTIY-ZIAGYGMSSA-N -1 3 341.459 3.650 20 0 EHADHM CC1(C)CCC(Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000820590538 599579116 /nfs/dbraw/zinc/57/91/16/599579116.db2.gz WBSWRADOGTXSOM-UHFFFAOYSA-N -1 3 340.353 3.661 20 0 EHADHM CC1(C)CCC(Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000820590538 599579119 /nfs/dbraw/zinc/57/91/19/599579119.db2.gz WBSWRADOGTXSOM-UHFFFAOYSA-N -1 3 340.353 3.661 20 0 EHADHM CC[C@H](C)[C@@H](C)N(CC(=O)Nc1cc(C(=O)[O-])ccc1C)C1CC1 ZINC000736871018 600004815 /nfs/dbraw/zinc/00/48/15/600004815.db2.gz NKGCUWBFPIYZQZ-GXTWGEPZSA-N -1 3 332.444 3.531 20 0 EHADHM O=C([O-])c1cc(F)ccc1CN(Cc1ccccc1)C[C@H]1CCCO1 ZINC000740074631 600089893 /nfs/dbraw/zinc/08/98/93/600089893.db2.gz AMAQJVZKIUUGDE-GOSISDBHSA-N -1 3 343.398 3.705 20 0 EHADHM O=C([O-])[C@@H]1CCN(Cc2ccc(Oc3ccccc3F)c(F)c2)C1 ZINC000430657890 600208394 /nfs/dbraw/zinc/20/83/94/600208394.db2.gz IMEUCWPDJMPDNK-CYBMUJFWSA-N -1 3 333.334 3.664 20 0 EHADHM Cc1ccc([C@H]2CSCCN2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000738581724 600218625 /nfs/dbraw/zinc/21/86/25/600218625.db2.gz DHYIORLZQCRDNP-GOSISDBHSA-N -1 3 327.449 3.983 20 0 EHADHM CCc1ccc([C@@H]2CCCN2CCOc2cccc(C(=O)[O-])c2)o1 ZINC000574578541 600410691 /nfs/dbraw/zinc/41/06/91/600410691.db2.gz OQHYZACHBXXVDQ-KRWDZBQOSA-N -1 3 329.396 3.756 20 0 EHADHM CCOCc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000737177704 600421511 /nfs/dbraw/zinc/42/15/11/600421511.db2.gz HNQKWVJOICAXMH-QGZVFWFLSA-N -1 3 333.815 3.792 20 0 EHADHM CSc1ccc2cc(CN3CCC[C@H]3C(=O)[O-])c(Cl)nc2c1 ZINC000738215437 600437857 /nfs/dbraw/zinc/43/78/57/600437857.db2.gz XMEAJJXEBGFPAL-AWEZNQCLSA-N -1 3 336.844 3.659 20 0 EHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc2ccsc21 ZINC000826250520 607772541 /nfs/dbraw/zinc/77/25/41/607772541.db2.gz FIEULYWIZDHCHP-UHFFFAOYSA-N -1 3 335.392 3.642 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc2ccsc21 ZINC000826250520 607772542 /nfs/dbraw/zinc/77/25/42/607772542.db2.gz FIEULYWIZDHCHP-UHFFFAOYSA-N -1 3 335.392 3.642 20 0 EHADHM Fc1cc(-c2nnn[n-]2)ccc1C=C(Cl)c1nc2ccccc2o1 ZINC000822741437 607458214 /nfs/dbraw/zinc/45/82/14/607458214.db2.gz XBOATIPLMJSZGP-YRNVUSSQSA-N -1 3 341.733 3.884 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1C=C(Cl)c1nc2ccccc2o1 ZINC000822741437 607458216 /nfs/dbraw/zinc/45/82/16/607458216.db2.gz XBOATIPLMJSZGP-YRNVUSSQSA-N -1 3 341.733 3.884 20 0 EHADHM C[C@H](NCc1cccc(OCC(=O)[O-])c1)c1ccc(F)c(Cl)c1 ZINC000736665712 600639045 /nfs/dbraw/zinc/63/90/45/600639045.db2.gz YBSTZMAUQYVVCT-NSHDSACASA-N -1 3 337.778 3.793 20 0 EHADHM Cc1nc(C2CCN([C@H](C(=O)[O-])c3ccccc3F)CC2)sc1C ZINC000832996755 600993876 /nfs/dbraw/zinc/99/38/76/600993876.db2.gz DJULVTLWDLZSGE-INIZCTEOSA-N -1 3 348.443 3.904 20 0 EHADHM O=C([O-])[C@@H](c1ccccc1F)N1CCS[C@@H](c2ccccc2)C1 ZINC000833174897 601015206 /nfs/dbraw/zinc/01/52/06/601015206.db2.gz YNFMORWUHARGCQ-IAGOWNOFSA-N -1 3 331.412 3.742 20 0 EHADHM C[C@@H](C(=O)[O-])[C@@H](NCc1cc(Cl)nc(Cl)c1)c1ccccc1 ZINC000826054861 601204090 /nfs/dbraw/zinc/20/40/90/601204090.db2.gz RMLCISHCYRSMHS-MEBBXXQBSA-N -1 3 339.222 3.940 20 0 EHADHM O=C([O-])CC1(NCc2nc(-c3cccc(Cl)c3)no2)CCCCC1 ZINC000833206040 601554405 /nfs/dbraw/zinc/55/44/05/601554405.db2.gz WLAAVPAUUZGKNB-UHFFFAOYSA-N -1 3 349.818 3.657 20 0 EHADHM CCN(Cc1cc(C(=O)[O-])sc1C)Cc1ccc2c(c1)OCO2 ZINC000829722240 601616978 /nfs/dbraw/zinc/61/69/78/601616978.db2.gz GSOOANHYILTAOQ-UHFFFAOYSA-N -1 3 333.409 3.506 20 0 EHADHM CCC(CC)(CC(=O)[O-])NCc1nc(-c2cccc(Cl)c2)no1 ZINC000828804532 601633852 /nfs/dbraw/zinc/63/38/52/601633852.db2.gz PXCPCYIOTLGVQT-UHFFFAOYSA-N -1 3 337.807 3.513 20 0 EHADHM O=C([O-])c1sccc1CN1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000833347809 601826272 /nfs/dbraw/zinc/82/62/72/601826272.db2.gz URGJAGSZRIMPKL-INIZCTEOSA-N -1 3 349.427 3.531 20 0 EHADHM Cc1cccc(NC2CCN(Cc3ccsc3C(=O)[O-])CC2)c1 ZINC000832970446 601831572 /nfs/dbraw/zinc/83/15/72/601831572.db2.gz FVBCNMROOVMXRC-UHFFFAOYSA-N -1 3 330.453 3.831 20 0 EHADHM COc1cc([C@H](C)NCc2c[nH]c(C(=O)[O-])c2)ccc1OCC(C)C ZINC000831956531 601831605 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C[C@H](c1ccccc1Cl)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000825637204 604100644 /nfs/dbraw/zinc/10/06/44/604100644.db2.gz BLPGOWHXDUOBFA-CYBMUJFWSA-N -1 3 340.851 3.540 20 0 EHADHM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2cnc(-c3ccccc3)s2)C1 ZINC000825272645 604228981 /nfs/dbraw/zinc/22/89/81/604228981.db2.gz MQCZNTPRPDQVNI-UKRRQHHQSA-N -1 3 345.468 3.678 20 0 EHADHM CCOc1ccc(Cl)cc1[C@@H](C)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000830080261 604287898 /nfs/dbraw/zinc/28/78/98/604287898.db2.gz HKIRAAQKVMCMLN-DGCLKSJQSA-N -1 3 326.824 3.532 20 0 EHADHM Clc1cccc2c1CC[C@@H]2Sc1cc(-c2nnn[n-]2)ccn1 ZINC000826353495 607712358 /nfs/dbraw/zinc/71/23/58/607712358.db2.gz RJVXTEQOSLDLFU-ZDUSSCGKSA-N -1 3 329.816 3.695 20 0 EHADHM Clc1cccc2c1CC[C@@H]2Sc1cc(-c2nn[n-]n2)ccn1 ZINC000826353495 607712359 /nfs/dbraw/zinc/71/23/59/607712359.db2.gz RJVXTEQOSLDLFU-ZDUSSCGKSA-N -1 3 329.816 3.695 20 0 EHADHM Cc1ccc(-c2nc(CN[C@]3(C)CCCC[C@@H]3C(=O)[O-])co2)cc1 ZINC000833746388 605062450 /nfs/dbraw/zinc/06/24/50/605062450.db2.gz CTCGCVBTKCCLEL-VQIMIIECSA-N -1 3 328.412 3.773 20 0 EHADHM CC(C)OC1CCC(Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000824309394 607734708 /nfs/dbraw/zinc/73/47/08/607734708.db2.gz MYBODLNBBJDMFW-UHFFFAOYSA-N -1 3 335.839 3.668 20 0 EHADHM CC(C)OC1CCC(Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000824309394 607734709 /nfs/dbraw/zinc/73/47/09/607734709.db2.gz MYBODLNBBJDMFW-UHFFFAOYSA-N -1 3 335.839 3.668 20 0 EHADHM CC(C)n1cc([C@H](C)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)cn1 ZINC000825501321 605117605 /nfs/dbraw/zinc/11/76/05/605117605.db2.gz CCIDGIKQQUKIIH-UONOGXRCSA-N -1 3 330.432 3.643 20 0 EHADHM CCn1nc(C)c([C@H](C)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)c1C ZINC000827716676 605118636 /nfs/dbraw/zinc/11/86/36/605118636.db2.gz DHGGFVIBJPCUHD-OLZOCXBDSA-N -1 3 344.459 3.699 20 0 EHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000322088335 605219143 /nfs/dbraw/zinc/21/91/43/605219143.db2.gz SRAQDEDRYCDSNN-LBPRGKRZSA-N -1 3 340.807 3.571 20 0 EHADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC000833575721 605372879 /nfs/dbraw/zinc/37/28/79/605372879.db2.gz BXWFFQSEVGLNMK-DGCLKSJQSA-N -1 3 338.473 3.715 20 0 EHADHM O=C([O-])N[C@@H]1C[C@@H](N[C@H]2CCc3ccc(F)cc32)c2ccccc21 ZINC000834157002 605801452 /nfs/dbraw/zinc/80/14/52/605801452.db2.gz DZRPMBGRRYYXHW-RCCFBDPRSA-N -1 3 326.371 3.856 20 0 EHADHM COc1cccc2c1CC[C@@H]2N[C@H]1C[C@H](NC(=O)[O-])c2ccccc21 ZINC000833890391 605801481 /nfs/dbraw/zinc/80/14/81/605801481.db2.gz AXPHMJRZHFZJHC-BZSNNMDCSA-N -1 3 338.407 3.726 20 0 EHADHM CCc1ccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)s1 ZINC000821487808 606045769 /nfs/dbraw/zinc/04/57/69/606045769.db2.gz YADQBYLMQMZFNV-UHFFFAOYSA-N -1 3 336.424 3.651 20 0 EHADHM CCc1ccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)s1 ZINC000821487808 606045775 /nfs/dbraw/zinc/04/57/75/606045775.db2.gz YADQBYLMQMZFNV-UHFFFAOYSA-N -1 3 336.424 3.651 20 0 EHADHM Fc1cccc2c1CC[C@H]2Nc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000822791229 606057328 /nfs/dbraw/zinc/05/73/28/606057328.db2.gz FRUYZPPPOUECMF-QGZVFWFLSA-N -1 3 346.369 3.653 20 0 EHADHM Fc1cccc2c1CC[C@H]2Nc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000822791229 606057335 /nfs/dbraw/zinc/05/73/35/606057335.db2.gz FRUYZPPPOUECMF-QGZVFWFLSA-N -1 3 346.369 3.653 20 0 EHADHM CC(=CC(=O)Nc1sccc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000819766325 606121085 /nfs/dbraw/zinc/12/10/85/606121085.db2.gz WQPWINIEWBUZDD-VQHVLOKHSA-N -1 3 345.815 3.624 20 0 EHADHM CC(=CC(=O)Nc1sccc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000819766325 606121086 /nfs/dbraw/zinc/12/10/86/606121086.db2.gz WQPWINIEWBUZDD-VQHVLOKHSA-N -1 3 345.815 3.624 20 0 EHADHM C[C@@H](NCc1cc(-c2nnn[n-]2)cs1)c1c(F)cccc1Cl ZINC000820426564 606224204 /nfs/dbraw/zinc/22/42/04/606224204.db2.gz LSTOHWGTULWSEW-MRVPVSSYSA-N -1 3 337.811 3.572 20 0 EHADHM C[C@@H](NCc1cc(-c2nn[n-]n2)cs1)c1c(F)cccc1Cl ZINC000820426564 606224205 /nfs/dbraw/zinc/22/42/05/606224205.db2.gz LSTOHWGTULWSEW-MRVPVSSYSA-N -1 3 337.811 3.572 20 0 EHADHM C[C@@H](OC(=O)c1coc2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820518874 606354872 /nfs/dbraw/zinc/35/48/72/606354872.db2.gz MMXJAHKJYUDWFJ-LLVKDONJSA-N -1 3 334.335 3.531 20 0 EHADHM C[C@@H](OC(=O)c1coc2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820518874 606354874 /nfs/dbraw/zinc/35/48/74/606354874.db2.gz MMXJAHKJYUDWFJ-LLVKDONJSA-N -1 3 334.335 3.531 20 0 EHADHM CC(=CC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819766393 606358627 /nfs/dbraw/zinc/35/86/27/606358627.db2.gz YHJVLSWFRBQZDD-FNDVETGQSA-N -1 3 334.379 3.574 20 0 EHADHM CC(=CC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819766393 606358629 /nfs/dbraw/zinc/35/86/29/606358629.db2.gz YHJVLSWFRBQZDD-FNDVETGQSA-N -1 3 334.379 3.574 20 0 EHADHM Clc1cccc(Cl)c1CNCc1ccc(-c2nn[n-]n2)s1 ZINC000822586437 606415280 /nfs/dbraw/zinc/41/52/80/606415280.db2.gz YSRWFMNICKOKTJ-UHFFFAOYSA-N -1 3 340.239 3.525 20 0 EHADHM Clc1cccc(Cl)c1CNCc1ccc(-c2nnn[n-]2)s1 ZINC000822586437 606415279 /nfs/dbraw/zinc/41/52/79/606415279.db2.gz YSRWFMNICKOKTJ-UHFFFAOYSA-N -1 3 340.239 3.525 20 0 EHADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N1CCC[C@H]1c1ccsc1 ZINC000822736819 606455628 /nfs/dbraw/zinc/45/56/28/606455628.db2.gz KQCYKUNYGLPEGP-ZDUSSCGKSA-N -1 3 333.367 3.548 20 0 EHADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N1CCC[C@H]1c1ccsc1 ZINC000822736819 606455629 /nfs/dbraw/zinc/45/56/29/606455629.db2.gz KQCYKUNYGLPEGP-ZDUSSCGKSA-N -1 3 333.367 3.548 20 0 EHADHM Clc1cc(N2CCC[C@H]2c2ccsc2)ccc1-c1nnn[n-]1 ZINC000822567720 606455724 /nfs/dbraw/zinc/45/57/24/606455724.db2.gz FVYVGJRUZJREAO-AWEZNQCLSA-N -1 3 331.832 3.923 20 0 EHADHM Clc1cc(N2CCC[C@H]2c2ccsc2)ccc1-c1nn[n-]n1 ZINC000822567720 606455725 /nfs/dbraw/zinc/45/57/25/606455725.db2.gz FVYVGJRUZJREAO-AWEZNQCLSA-N -1 3 331.832 3.923 20 0 EHADHM c1cc([C@H]2CCCN2c2cc(-c3nnn[n-]3)c3ccccc3n2)cs1 ZINC000823791879 606456132 /nfs/dbraw/zinc/45/61/32/606456132.db2.gz LNUSXGTUWMOSID-MRXNPFEDSA-N -1 3 348.435 3.818 20 0 EHADHM c1cc([C@H]2CCCN2c2cc(-c3nn[n-]n3)c3ccccc3n2)cs1 ZINC000823791879 606456134 /nfs/dbraw/zinc/45/61/34/606456134.db2.gz LNUSXGTUWMOSID-MRXNPFEDSA-N -1 3 348.435 3.818 20 0 EHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC[C@@H]1CC1CCCCC1 ZINC000823472658 606539497 /nfs/dbraw/zinc/53/94/97/606539497.db2.gz ULPBYHSALXFFIF-CQSZACIVSA-N -1 3 345.472 3.503 20 0 EHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC[C@@H]1CC1CCCCC1 ZINC000823472658 606539499 /nfs/dbraw/zinc/53/94/99/606539499.db2.gz ULPBYHSALXFFIF-CQSZACIVSA-N -1 3 345.472 3.503 20 0 EHADHM Cc1cc(F)ccc1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822205880 606596980 /nfs/dbraw/zinc/59/69/80/606596980.db2.gz LYLRULIYOGKKHO-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM Cc1cc(F)ccc1NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822205880 606596981 /nfs/dbraw/zinc/59/69/81/606596981.db2.gz LYLRULIYOGKKHO-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM CC1CC(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000820650257 606618676 /nfs/dbraw/zinc/61/86/76/606618676.db2.gz SSWWJRYMUULTOO-UHFFFAOYSA-N -1 3 349.394 3.644 20 0 EHADHM CC1CC(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000820650257 606618678 /nfs/dbraw/zinc/61/86/78/606618678.db2.gz SSWWJRYMUULTOO-UHFFFAOYSA-N -1 3 349.394 3.644 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc2sccc2c1 ZINC000822220134 606717632 /nfs/dbraw/zinc/71/76/32/606717632.db2.gz FLAGEJRNLGPLEA-UHFFFAOYSA-N -1 3 335.392 3.642 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc2sccc2c1 ZINC000822220134 606717634 /nfs/dbraw/zinc/71/76/34/606717634.db2.gz FLAGEJRNLGPLEA-UHFFFAOYSA-N -1 3 335.392 3.642 20 0 EHADHM c1cn(C2CCCC2)nc1CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000823742980 606841603 /nfs/dbraw/zinc/84/16/03/606841603.db2.gz PEQMOTSIGWJBCF-UHFFFAOYSA-N -1 3 340.456 3.612 20 0 EHADHM c1cn(C2CCCC2)nc1CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000823742980 606841604 /nfs/dbraw/zinc/84/16/04/606841604.db2.gz PEQMOTSIGWJBCF-UHFFFAOYSA-N -1 3 340.456 3.612 20 0 EHADHM FC(F)(F)c1cc(NC/C(Cl)=C/Cl)ccc1-c1nnn[n-]1 ZINC000822723661 606865609 /nfs/dbraw/zinc/86/56/09/606865609.db2.gz JZDUBJWHBDKLCO-XQRVVYSFSA-N -1 3 338.120 3.616 20 0 EHADHM FC(F)(F)c1cc(NC/C(Cl)=C/Cl)ccc1-c1nn[n-]n1 ZINC000822723661 606865610 /nfs/dbraw/zinc/86/56/10/606865610.db2.gz JZDUBJWHBDKLCO-XQRVVYSFSA-N -1 3 338.120 3.616 20 0 EHADHM CCC[C@@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821040449 606905840 /nfs/dbraw/zinc/90/58/40/606905840.db2.gz LVWFRZZMECRKMH-LLVKDONJSA-N -1 3 348.838 3.564 20 0 EHADHM CCC[C@@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821040449 606905842 /nfs/dbraw/zinc/90/58/42/606905842.db2.gz LVWFRZZMECRKMH-LLVKDONJSA-N -1 3 348.838 3.564 20 0 EHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cc(C)cc(Cl)c2)s1 ZINC000821465939 606957508 /nfs/dbraw/zinc/95/75/08/606957508.db2.gz REYMYBUOGKLCCX-UHFFFAOYSA-N -1 3 347.831 3.705 20 0 EHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc(C)cc(Cl)c2)s1 ZINC000821465939 606957509 /nfs/dbraw/zinc/95/75/09/606957509.db2.gz REYMYBUOGKLCCX-UHFFFAOYSA-N -1 3 347.831 3.705 20 0 EHADHM C[C@@H](c1cccc(Cl)c1)[S@](=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820563021 606978252 /nfs/dbraw/zinc/97/82/52/606978252.db2.gz LNYBETBHBHYKLA-BSNNYGBQSA-N -1 3 346.843 3.530 20 0 EHADHM C[C@@H](c1cccc(Cl)c1)[S@](=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820563021 606978255 /nfs/dbraw/zinc/97/82/55/606978255.db2.gz LNYBETBHBHYKLA-BSNNYGBQSA-N -1 3 346.843 3.530 20 0 EHADHM O=C1c2ccccc2CCC[C@H]1Sc1cccc(-c2nnn[n-]2)c1 ZINC000823551693 607012765 /nfs/dbraw/zinc/01/27/65/607012765.db2.gz ZPBNUBMRNATHHP-MRXNPFEDSA-N -1 3 336.420 3.547 20 0 EHADHM O=C1c2ccccc2CCC[C@H]1Sc1cccc(-c2nn[n-]n2)c1 ZINC000823551693 607012766 /nfs/dbraw/zinc/01/27/66/607012766.db2.gz ZPBNUBMRNATHHP-MRXNPFEDSA-N -1 3 336.420 3.547 20 0 EHADHM CCOc1cc(Cl)ccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000821393803 607032791 /nfs/dbraw/zinc/03/27/91/607032791.db2.gz BJDBCGNQDBTQBP-UHFFFAOYSA-N -1 3 329.791 3.531 20 0 EHADHM CCOc1cc(Cl)ccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000821393803 607032792 /nfs/dbraw/zinc/03/27/92/607032792.db2.gz BJDBCGNQDBTQBP-UHFFFAOYSA-N -1 3 329.791 3.531 20 0 EHADHM Fc1ccc(-c2nnn[n-]2)c(CSc2cccc3cccnc32)c1 ZINC000822757949 607038486 /nfs/dbraw/zinc/03/84/86/607038486.db2.gz HWEWXXIYFQSNCY-UHFFFAOYSA-N -1 3 337.383 3.846 20 0 EHADHM Fc1ccc(-c2nn[n-]n2)c(CSc2cccc3cccnc32)c1 ZINC000822757949 607038487 /nfs/dbraw/zinc/03/84/87/607038487.db2.gz HWEWXXIYFQSNCY-UHFFFAOYSA-N -1 3 337.383 3.846 20 0 EHADHM COc1cccc2c1CC[C@@H]2Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000821877798 607119648 /nfs/dbraw/zinc/11/96/48/607119648.db2.gz VTWSZZVMDSLBJB-AWEZNQCLSA-N -1 3 341.802 3.628 20 0 EHADHM COc1cccc2c1CC[C@@H]2Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821877798 607119650 /nfs/dbraw/zinc/11/96/50/607119650.db2.gz VTWSZZVMDSLBJB-AWEZNQCLSA-N -1 3 341.802 3.628 20 0 EHADHM CCCCC[C@H]1CCCN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000821050707 607121009 /nfs/dbraw/zinc/12/10/09/607121009.db2.gz SXTLOKUKJZTDER-ZDUSSCGKSA-N -1 3 344.488 3.608 20 0 EHADHM CCCCC[C@H]1CCCN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000821050707 607121010 /nfs/dbraw/zinc/12/10/10/607121010.db2.gz SXTLOKUKJZTDER-ZDUSSCGKSA-N -1 3 344.488 3.608 20 0 EHADHM Cc1coc(-c2ccc(C)c(NCc3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000822402838 607125518 /nfs/dbraw/zinc/12/55/18/607125518.db2.gz IXCKAHJTBRVPTB-UHFFFAOYSA-N -1 3 346.394 3.751 20 0 EHADHM Cc1coc(-c2ccc(C)c(NCc3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000822402838 607125519 /nfs/dbraw/zinc/12/55/19/607125519.db2.gz IXCKAHJTBRVPTB-UHFFFAOYSA-N -1 3 346.394 3.751 20 0 EHADHM CCc1nc(CSc2ccc(-c3nnn[n-]3)cc2Cl)cs1 ZINC000821509462 607141723 /nfs/dbraw/zinc/14/17/23/607141723.db2.gz HUAZPNBZXVJESZ-UHFFFAOYSA-N -1 3 337.861 3.831 20 0 EHADHM CCc1nc(CSc2ccc(-c3nn[n-]n3)cc2Cl)cs1 ZINC000821509462 607141725 /nfs/dbraw/zinc/14/17/25/607141725.db2.gz HUAZPNBZXVJESZ-UHFFFAOYSA-N -1 3 337.861 3.831 20 0 EHADHM CC(=CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000819764549 607188989 /nfs/dbraw/zinc/18/89/89/607188989.db2.gz JGNWEAYGUGNLBP-LUAWRHEFSA-N -1 3 339.786 3.562 20 0 EHADHM CC(=CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000819764549 607188990 /nfs/dbraw/zinc/18/89/90/607188990.db2.gz JGNWEAYGUGNLBP-LUAWRHEFSA-N -1 3 339.786 3.562 20 0 EHADHM CC[C@@H]1CCCCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820980610 607204421 /nfs/dbraw/zinc/20/44/21/607204421.db2.gz LTGHDTIHBISPRT-GFCCVEGCSA-N -1 3 348.838 3.707 20 0 EHADHM CC[C@@H]1CCCCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820980610 607204422 /nfs/dbraw/zinc/20/44/22/607204422.db2.gz LTGHDTIHBISPRT-GFCCVEGCSA-N -1 3 348.838 3.707 20 0 EHADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CC1(C)CCCCC1 ZINC000825620553 607792896 /nfs/dbraw/zinc/79/28/96/607792896.db2.gz DERBVRAGUXRKOX-UHFFFAOYSA-N -1 3 343.431 3.564 20 0 EHADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CC1(C)CCCCC1 ZINC000825620553 607792897 /nfs/dbraw/zinc/79/28/97/607792897.db2.gz DERBVRAGUXRKOX-UHFFFAOYSA-N -1 3 343.431 3.564 20 0 EHADHM CC1(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCCCC1 ZINC000824816526 607801290 /nfs/dbraw/zinc/80/12/90/607801290.db2.gz FVRWHBPGYICODG-UHFFFAOYSA-N -1 3 333.823 3.819 20 0 EHADHM CC1(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCCCC1 ZINC000824816526 607801291 /nfs/dbraw/zinc/80/12/91/607801291.db2.gz FVRWHBPGYICODG-UHFFFAOYSA-N -1 3 333.823 3.819 20 0 EHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NC1CCC(F)(F)CC1 ZINC000826370181 608053274 /nfs/dbraw/zinc/05/32/74/608053274.db2.gz HKJDWHUXSLJKAQ-UHFFFAOYSA-N -1 3 347.291 3.875 20 0 EHADHM CCSc1cccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000825673796 608114758 /nfs/dbraw/zinc/11/47/58/608114758.db2.gz CKRGVQIQIFFRPZ-UHFFFAOYSA-N -1 3 339.424 3.539 20 0 EHADHM CCSc1cccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000825673796 608114759 /nfs/dbraw/zinc/11/47/59/608114759.db2.gz CKRGVQIQIFFRPZ-UHFFFAOYSA-N -1 3 339.424 3.539 20 0 EHADHM COc1cccc(CSc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826216638 608206272 /nfs/dbraw/zinc/20/62/72/608206272.db2.gz IAXMMHPXANSTMV-UHFFFAOYSA-N -1 3 332.816 3.821 20 0 EHADHM COc1cccc(CSc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826216638 608206273 /nfs/dbraw/zinc/20/62/73/608206273.db2.gz IAXMMHPXANSTMV-UHFFFAOYSA-N -1 3 332.816 3.821 20 0 EHADHM C[C@H]1CN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)Cc2ccccc21 ZINC000824998933 608221424 /nfs/dbraw/zinc/22/14/24/608221424.db2.gz AIIWJAZCBGJOLU-ZDUSSCGKSA-N -1 3 342.406 3.539 20 0 EHADHM C[C@H]1CN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)Cc2ccccc21 ZINC000824998933 608221426 /nfs/dbraw/zinc/22/14/26/608221426.db2.gz AIIWJAZCBGJOLU-ZDUSSCGKSA-N -1 3 342.406 3.539 20 0 EHADHM COc1cccc([C@@H](C)Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000826214199 608223477 /nfs/dbraw/zinc/22/34/77/608223477.db2.gz DFERHCHMXYXSCT-GFCCVEGCSA-N -1 3 346.394 3.597 20 0 EHADHM COc1cccc([C@@H](C)Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC000826214199 608223479 /nfs/dbraw/zinc/22/34/79/608223479.db2.gz DFERHCHMXYXSCT-GFCCVEGCSA-N -1 3 346.394 3.597 20 0 EHADHM c1cc2nc(N3CCC4(CCCC4)CC3)ccc2cc1-c1nnn[n-]1 ZINC000826518425 608229572 /nfs/dbraw/zinc/22/95/72/608229572.db2.gz NLKPMWLAQOEGKS-UHFFFAOYSA-N -1 3 334.427 3.576 20 0 EHADHM c1cc2nc(N3CCC4(CCCC4)CC3)ccc2cc1-c1nn[n-]n1 ZINC000826518425 608229574 /nfs/dbraw/zinc/22/95/74/608229574.db2.gz NLKPMWLAQOEGKS-UHFFFAOYSA-N -1 3 334.427 3.576 20 0 EHADHM CCS[C@H]1CCC[C@@H]1Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825669570 608231704 /nfs/dbraw/zinc/23/17/04/608231704.db2.gz ZXNAGODOAHCTLH-GJZGRUSLSA-N -1 3 340.456 3.501 20 0 EHADHM CCS[C@H]1CCC[C@@H]1Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825669570 608231705 /nfs/dbraw/zinc/23/17/05/608231705.db2.gz ZXNAGODOAHCTLH-GJZGRUSLSA-N -1 3 340.456 3.501 20 0 EHADHM c1ccc(Oc2cccc(CNc3cnccc3-c3nnn[n-]3)c2)cc1 ZINC000826522673 608776180 /nfs/dbraw/zinc/77/61/80/608776180.db2.gz JUWFDZXXZQTLDQ-UHFFFAOYSA-N -1 3 344.378 3.666 20 0 EHADHM c1ccc(Oc2cccc(CNc3cnccc3-c3nn[n-]n3)c2)cc1 ZINC000826522673 608776181 /nfs/dbraw/zinc/77/61/81/608776181.db2.gz JUWFDZXXZQTLDQ-UHFFFAOYSA-N -1 3 344.378 3.666 20 0 EHADHM CCOc1cccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000825653788 609164582 /nfs/dbraw/zinc/16/45/82/609164582.db2.gz JYFZFXYFVZBKOI-GOSISDBHSA-N -1 3 335.411 3.755 20 0 EHADHM CCOc1cccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000825653788 609164583 /nfs/dbraw/zinc/16/45/83/609164583.db2.gz JYFZFXYFVZBKOI-GOSISDBHSA-N -1 3 335.411 3.755 20 0 EHADHM CCOc1cccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000825653789 609165030 /nfs/dbraw/zinc/16/50/30/609165030.db2.gz JYFZFXYFVZBKOI-SFHVURJKSA-N -1 3 335.411 3.755 20 0 EHADHM CCOc1cccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000825653789 609165031 /nfs/dbraw/zinc/16/50/31/609165031.db2.gz JYFZFXYFVZBKOI-SFHVURJKSA-N -1 3 335.411 3.755 20 0 EHADHM CC(C)OCc1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824315486 609181836 /nfs/dbraw/zinc/18/18/36/609181836.db2.gz OYTWDCDCEVJIMZ-AWEZNQCLSA-N -1 3 337.427 3.965 20 0 EHADHM CC(C)OCc1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824315486 609181837 /nfs/dbraw/zinc/18/18/37/609181837.db2.gz OYTWDCDCEVJIMZ-AWEZNQCLSA-N -1 3 337.427 3.965 20 0 EHADHM CC(C)Cc1ncc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)s1 ZINC000824280387 609198725 /nfs/dbraw/zinc/19/87/25/609198725.db2.gz LQDZVIIWFZVWSV-UHFFFAOYSA-N -1 3 348.863 3.787 20 0 EHADHM CC(C)Cc1ncc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)s1 ZINC000824280387 609198726 /nfs/dbraw/zinc/19/87/26/609198726.db2.gz LQDZVIIWFZVWSV-UHFFFAOYSA-N -1 3 348.863 3.787 20 0 EHADHM COc1ccc(Cl)cc1N[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826208753 609272509 /nfs/dbraw/zinc/27/25/09/609272509.db2.gz YVWXOYLYVBDQEP-SECBINFHSA-N -1 3 347.781 3.841 20 0 EHADHM COc1ccc(Cl)cc1N[C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826208753 609272511 /nfs/dbraw/zinc/27/25/11/609272511.db2.gz YVWXOYLYVBDQEP-SECBINFHSA-N -1 3 347.781 3.841 20 0 EHADHM C[C@@H](N[C@H](C)c1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824531022 609323857 /nfs/dbraw/zinc/32/38/57/609323857.db2.gz OBKKIEDNUGXFOL-NXEZZACHSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@@H](N[C@H](C)c1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000824531022 609323859 /nfs/dbraw/zinc/32/38/59/609323859.db2.gz OBKKIEDNUGXFOL-NXEZZACHSA-N -1 3 347.344 3.696 20 0 EHADHM CCC[C@@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F)c1ccccn1 ZINC000825242564 609333357 /nfs/dbraw/zinc/33/33/57/609333357.db2.gz VBAKUGRAUNZFNA-SJKOYZFVSA-N -1 3 340.406 3.593 20 0 EHADHM C[C@H](N[C@@H]1CSc2ccccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000824554965 609335918 /nfs/dbraw/zinc/33/59/18/609335918.db2.gz UBZSDIPNVDMWEF-ZUZCIYMTSA-N -1 3 341.415 3.503 20 0 EHADHM CCCOc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000825341417 609346241 /nfs/dbraw/zinc/34/62/41/609346241.db2.gz CRRIMSHKMLMPPZ-GFCCVEGCSA-N -1 3 341.390 3.968 20 0 EHADHM CCCOc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000825341417 609346243 /nfs/dbraw/zinc/34/62/43/609346243.db2.gz CRRIMSHKMLMPPZ-GFCCVEGCSA-N -1 3 341.390 3.968 20 0 EHADHM CCN(C(=O)[C@H]1CCC(C)(C)C1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367507 609376043 /nfs/dbraw/zinc/37/60/43/609376043.db2.gz RLPUMWFNSLGJNS-BBRMVZONSA-N -1 3 341.459 3.603 20 0 EHADHM CCN(C(=O)[C@H]1CCC(C)(C)C1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367507 609376044 /nfs/dbraw/zinc/37/60/44/609376044.db2.gz RLPUMWFNSLGJNS-BBRMVZONSA-N -1 3 341.459 3.603 20 0 EHADHM CC(C)Nc1cccc(F)c1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000824305353 609439559 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CSc1nsc([N-]C(=O)c2sc3nccc(C)c3c2C)n1 ZINC000440069803 1021924119 /nfs/dbraw/zinc/92/41/19/1021924119.db2.gz LBGDJWHDUJCLAM-UHFFFAOYSA-N -1 3 336.467 3.739 20 0 EHADHM COC(=O)c1ccc(C(=O)Nc2cccc(-c3cccs3)c2)[n-]1 ZINC000550049106 1022279181 /nfs/dbraw/zinc/27/91/81/1022279181.db2.gz KHLNIVZKDLCRQV-UHFFFAOYSA-N -1 3 326.377 3.782 20 0 EHADHM CC[C@H](C(=O)NCc1ncccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000473645500 1022333332 /nfs/dbraw/zinc/33/33/32/1022333332.db2.gz XJTPIWAPIHOZKP-ZDUSSCGKSA-N -1 3 338.329 3.616 20 0 EHADHM CC[C@H]1CC[C@H](C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000438132238 1022409291 /nfs/dbraw/zinc/40/92/91/1022409291.db2.gz QOLLYPANLDAXCF-AULYBMBSSA-N -1 3 340.261 3.987 20 0 EHADHM CN(Cc1ccccn1)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000101648155 1022598382 /nfs/dbraw/zinc/59/83/82/1022598382.db2.gz AXBFBRJOFSNVKR-UHFFFAOYSA-N -1 3 346.430 3.845 20 0 EHADHM C[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1cccc2ccccc21 ZINC000520441070 1022614807 /nfs/dbraw/zinc/61/48/07/1022614807.db2.gz 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O=C(c1ccccc1[O-])N1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000914778828 1120979745 /nfs/dbraw/zinc/97/97/45/1120979745.db2.gz HMROOPWLPCNMGV-AWEZNQCLSA-N -1 3 331.799 3.729 20 0 EHADHM CC(C)[C@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1 ZINC000053484050 1121060362 /nfs/dbraw/zinc/06/03/62/1121060362.db2.gz WHIOZPUONLIBFO-KRWDZBQOSA-N -1 3 334.419 3.698 20 0 EHADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3c(C)cccc3C)nc2)n1 ZINC000153510971 1121244219 /nfs/dbraw/zinc/24/42/19/1121244219.db2.gz DPVNRRALLMRXSA-UHFFFAOYSA-N -1 3 334.423 3.623 20 0 EHADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1OC ZINC000007109349 1121325484 /nfs/dbraw/zinc/32/54/84/1121325484.db2.gz LJEJLKNIJDGGCN-UHFFFAOYSA-N -1 3 335.425 3.512 20 0 EHADHM C[C@@H]1CCCN(CCOc2c(Cl)cccc2Cl)[C@@H]1C(=O)[O-] ZINC000235305504 1121393833 /nfs/dbraw/zinc/39/38/33/1121393833.db2.gz HDFYOIVCIZPYCM-MFKMUULPSA-N -1 3 332.227 3.557 20 0 EHADHM CC(C)(NC(=O)c1nnc2ccccc2c1[O-])c1cccc(Cl)c1 ZINC000737869340 1121419487 /nfs/dbraw/zinc/41/94/87/1121419487.db2.gz ZISLLRWCTGFXRF-UHFFFAOYSA-N -1 3 341.798 3.654 20 0 EHADHM COc1ccc(CO[N-]C(=O)Cc2cccc3ccccc32)cc1F ZINC000153721984 1121621554 /nfs/dbraw/zinc/62/15/54/1121621554.db2.gz VMQQXXIIYYFPOZ-UHFFFAOYSA-N -1 3 339.366 3.778 20 0 EHADHM CSc1ccc([C@@H](C)NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000055247662 1121808247 /nfs/dbraw/zinc/80/82/47/1121808247.db2.gz JDUIDJHDKNQKJI-LLVKDONJSA-N -1 3 344.436 3.564 20 0 EHADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)ccc1C ZINC000055615423 1121852361 /nfs/dbraw/zinc/85/23/61/1121852361.db2.gz CGQUPXYHWJWYJK-UHFFFAOYSA-N -1 3 346.452 3.878 20 0 EHADHM CC(=O)c1cccc(NC(=O)c2ccc([C@H]3CCCOC3)cc2)c1[O-] ZINC000648904337 1121862677 /nfs/dbraw/zinc/86/26/77/1121862677.db2.gz JGQPOLPXAGVAIL-INIZCTEOSA-N -1 3 339.391 3.741 20 0 EHADHM Cc1cc(=O)[n-]c(CSCc2cc(=O)oc3cc(C)c(C)cc23)n1 ZINC000763214608 1121892952 /nfs/dbraw/zinc/89/29/52/1121892952.db2.gz CTECLYPIFHBUHJ-UHFFFAOYSA-N -1 3 342.420 3.647 20 0 EHADHM Cc1cccc(C(=O)N2CCc3cc(Br)ccc32)c1[O-] ZINC000125465394 1122317185 /nfs/dbraw/zinc/31/71/85/1122317185.db2.gz LZRZFFKKZBFXIU-UHFFFAOYSA-N -1 3 332.197 3.666 20 0 EHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3[C@H](C=C(C)C)C3(C)C)nc21 ZINC001127419667 1122357871 /nfs/dbraw/zinc/35/78/71/1122357871.db2.gz QWOHBBZVPACATM-GXTWGEPZSA-N -1 3 341.411 3.526 20 0 EHADHM Cc1ccc(C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)c([O-])c1 ZINC000127122691 1122463340 /nfs/dbraw/zinc/46/33/40/1122463340.db2.gz QLJVIEFPEDRHES-LPHOPBHVSA-N -1 3 325.408 3.598 20 0 EHADHM CCOc1ccc(C(=O)CCC(=O)Nc2cccc([O-])c2F)cc1 ZINC000128314132 1122558664 /nfs/dbraw/zinc/55/86/64/1122558664.db2.gz KCWNBTHXELTTFB-UHFFFAOYSA-N -1 3 331.343 3.532 20 0 EHADHM Cc1ccc(-c2nc(NC(=O)C(C)(C)c3cccc(Cl)c3)n[n-]2)o1 ZINC000497739274 1122651462 /nfs/dbraw/zinc/65/14/62/1122651462.db2.gz MGUNXSAJKKXJBH-UHFFFAOYSA-N -1 3 344.802 3.943 20 0 EHADHM O=C(Nc1cc(Br)ccc1[O-])c1scnc1C1CC1 ZINC000129119128 1122740979 /nfs/dbraw/zinc/74/09/79/1122740979.db2.gz YWBGJUMAXZZLLK-UHFFFAOYSA-N -1 3 339.214 3.741 20 0 EHADHM O=C(COc1cc(Cl)cc(Cl)c1)Nc1cccc([O-])c1F ZINC000129372490 1122769519 /nfs/dbraw/zinc/76/95/19/1122769519.db2.gz XZRAHZUOGCAQFA-UHFFFAOYSA-N -1 3 330.142 3.856 20 0 EHADHM C[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000129834352 1122850025 /nfs/dbraw/zinc/85/00/25/1122850025.db2.gz BCVGJSIWFIEBDH-JTQLQIEISA-N -1 3 330.775 3.535 20 0 EHADHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)[C@H]1Oc2ccccc2[C@H]1C ZINC000556564792 1123038974 /nfs/dbraw/zinc/03/89/74/1123038974.db2.gz ISVCQATWVQMNBK-RLFDGXBXSA-N -1 3 331.799 3.729 20 0 EHADHM CC(=O)c1cccc(NC(=O)c2oc(-c3ccccc3)nc2C)c1[O-] ZINC000556892601 1123176930 /nfs/dbraw/zinc/17/69/30/1123176930.db2.gz NLGIXNQNVBYRRB-UHFFFAOYSA-N -1 3 336.347 3.811 20 0 EHADHM Cc1nc(C)c(CCC(=O)NC[C@@H]2CCCC[C@@H]2C(C)(C)C)c(=O)[n-]1 ZINC000920038267 1123269902 /nfs/dbraw/zinc/26/99/02/1123269902.db2.gz KBOOXMZDHJAHEY-RDJZCZTQSA-N -1 3 347.503 3.700 20 0 EHADHM C[C@@H](CNC(=O)NCc1ccc([O-])c(F)c1)Sc1ccccc1 ZINC000074373795 1123297052 /nfs/dbraw/zinc/29/70/52/1123297052.db2.gz FZWUGKZIYRMGOW-LBPRGKRZSA-N -1 3 334.416 3.511 20 0 EHADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc3[nH]ncc3c(C)c2)c1 ZINC000499289089 1123333665 /nfs/dbraw/zinc/33/36/65/1123333665.db2.gz YDQQOMYADVECPJ-UHFFFAOYSA-N -1 3 335.816 3.634 20 0 EHADHM COC(=O)c1ccc([C@H](C)OC(=O)c2cc3ccsc3[n-]2)cc1 ZINC000920802403 1123425634 /nfs/dbraw/zinc/42/56/34/1123425634.db2.gz PPJLEBAXSDDJQO-JTQLQIEISA-N -1 3 329.377 3.934 20 0 EHADHM CC1(C)C[C@@H](NC(=O)c2c[n-]c3ccccc3c2=O)c2ccccc21 ZINC000134992342 1123571197 /nfs/dbraw/zinc/57/11/97/1123571197.db2.gz HWNKACQNSZSZIK-GOSISDBHSA-N -1 3 332.403 3.681 20 0 EHADHM COc1ccc(C(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)c([O-])c1 ZINC000078182068 1123604412 /nfs/dbraw/zinc/60/44/12/1123604412.db2.gz YHJCYOAIDNDIDM-GJZGRUSLSA-N -1 3 325.408 3.727 20 0 EHADHM COc1cccc(C(=O)Nc2ccc(-c3nccs3)cc2)c1[O-] ZINC000078538074 1123636546 /nfs/dbraw/zinc/63/65/46/1123636546.db2.gz PUJOCQMYDLGBCJ-UHFFFAOYSA-N -1 3 326.377 3.777 20 0 EHADHM Cc1cccc(C)c1OC[C@H](O)C/N=C/c1cc(Cl)ccc1[O-] ZINC000067943187 1123790643 /nfs/dbraw/zinc/79/06/43/1123790643.db2.gz YNSNVFMPSDNMIR-UGNSCYDZSA-N -1 3 333.815 3.521 20 0 EHADHM CC(C)(CO)[C@H](NC(=O)c1cc([O-])ccc1Cl)c1cccs1 ZINC000616858030 1124047322 /nfs/dbraw/zinc/04/73/22/1124047322.db2.gz HSBQOIIDLCORNW-CQSZACIVSA-N -1 3 339.844 3.597 20 0 EHADHM CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2ccccc2[O-])CO1 ZINC000617457836 1124539813 /nfs/dbraw/zinc/53/98/13/1124539813.db2.gz GAOHYBCQUVSIDD-MRXNPFEDSA-N -1 3 325.408 3.602 20 0 EHADHM COc1cccc2c1CCCCN2C(=O)c1c[n-]c2ccccc2c1=O ZINC001127623257 1124729166 /nfs/dbraw/zinc/72/91/66/1124729166.db2.gz UEFIQZOEVPFZKR-UHFFFAOYSA-N -1 3 348.402 3.520 20 0 EHADHM CCc1onc(C)c1[N-]C(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC000089400512 1124811025 /nfs/dbraw/zinc/81/10/25/1124811025.db2.gz NJFDIKVUKLZSQR-UHFFFAOYSA-N -1 3 345.399 3.984 20 0 EHADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H](C)Cc2ccccc2OC)c1 ZINC000091981122 1125011797 /nfs/dbraw/zinc/01/17/97/1125011797.db2.gz GQLMJAMYYTZYSJ-AWEZNQCLSA-N -1 3 327.424 3.666 20 0 EHADHM CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2cc([O-])ccc2Cl)C12CCC2 ZINC000619105295 1125275009 /nfs/dbraw/zinc/27/50/09/1125275009.db2.gz VJNYZVKYHNYMHG-CABCVRRESA-N -1 3 337.847 3.902 20 0 EHADHM CC(=O)c1cc(F)c([N-]C(=O)c2ccc(C)nc2Cl)c(F)c1F ZINC000763544275 1125330466 /nfs/dbraw/zinc/33/04/66/1125330466.db2.gz UUJVMPPHRRGFCU-UHFFFAOYSA-N -1 3 342.704 3.916 20 0 EHADHM Cn1cc2c(n1)ncnc2[N-]c1nc(-c2ccc(F)c(F)c2)cs1 ZINC000163100123 1125354361 /nfs/dbraw/zinc/35/43/61/1125354361.db2.gz ANOFRQRZHWIUPX-UHFFFAOYSA-N -1 3 344.350 3.509 20 0 EHADHM COC(=O)c1cnc(/C=C\c2ccc([O-])c(Br)c2)s1 ZINC000254970741 1125356850 /nfs/dbraw/zinc/35/68/50/1125356850.db2.gz RTRPFKSMNACNJW-HYXAFXHYSA-N -1 3 340.198 3.568 20 0 EHADHM Cn1ncc2c1ncnc2[N-]c1nc(-c2ccc(Cl)cc2)cs1 ZINC000163104280 1125371648 /nfs/dbraw/zinc/37/16/48/1125371648.db2.gz ZYTZMGYFPXJRKM-UHFFFAOYSA-N -1 3 342.815 3.884 20 0 EHADHM O=C(N[C@@H](c1ccccc1)C1CCC1)c1nnc2ccccc2c1[O-] ZINC000735522458 1131354145 /nfs/dbraw/zinc/35/41/45/1131354145.db2.gz IMMXLUVMKCOKES-KRWDZBQOSA-N -1 3 333.391 3.607 20 0 EHADHM O=S(=O)([N-]CCCCc1ccccc1)c1ccc(Cl)s1 ZINC000013938332 1129264761 /nfs/dbraw/zinc/26/47/61/1129264761.db2.gz SVLYKDNJUDOPDP-UHFFFAOYSA-N -1 3 329.874 3.703 20 0 EHADHM Cc1cccc(C2(NC(=O)c3nnc4ccccc4c3[O-])CCCC2)c1 ZINC000735655394 1131370367 /nfs/dbraw/zinc/37/03/67/1131370367.db2.gz GAPBKQHEAYEZJX-UHFFFAOYSA-N -1 3 347.418 3.843 20 0 EHADHM CC(C)c1nn(C)c(Cl)c1C(=O)[N-]c1nc(C(C)(C)C)ns1 ZINC000265904239 1129726144 /nfs/dbraw/zinc/72/61/44/1129726144.db2.gz RABVQQDZVUSCRN-UHFFFAOYSA-N -1 3 341.868 3.598 20 0 EHADHM O=C(Nc1cc(Cl)ccc1[O-])C1CC(OCc2ccccc2)C1 ZINC000673809164 1129855576 /nfs/dbraw/zinc/85/55/76/1129855576.db2.gz OKGKPBOJTUKBLM-UHFFFAOYSA-N -1 3 331.799 3.980 20 0 EHADHM CCN(C(=O)c1c(C)cccc1[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000625409774 1129863456 /nfs/dbraw/zinc/86/34/56/1129863456.db2.gz MMTCZIKQQXYRDJ-HNNXBMFYSA-N -1 3 327.424 3.803 20 0 EHADHM CCN(C(=O)NCc1ccc([O-])c(F)c1)[C@H](C)c1ccc(F)cc1 ZINC000163649491 1129943351 /nfs/dbraw/zinc/94/33/51/1129943351.db2.gz CGKYYBZRHZXJPS-GFCCVEGCSA-N -1 3 334.366 3.963 20 0 EHADHM CCN(Cc1ccccc1Cl)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163689501 1129944765 /nfs/dbraw/zinc/94/47/65/1129944765.db2.gz GITYTROXSROPNJ-UHFFFAOYSA-N -1 3 336.794 3.916 20 0 EHADHM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000163743596 1129946932 /nfs/dbraw/zinc/94/69/32/1129946932.db2.gz NRURITPXRBZSJC-XJKSGUPXSA-N -1 3 328.387 3.619 20 0 EHADHM O=C([N-]c1nnc(CC(F)(F)F)s1)c1cc2occc2s1 ZINC000675944144 1130507992 /nfs/dbraw/zinc/50/79/92/1130507992.db2.gz SOUVRAQWXKQMSD-UHFFFAOYSA-N -1 3 333.316 3.703 20 0 EHADHM O=C(OCc1ccccc1F)c1cccc(Br)c1[O-] ZINC000730366087 1130705069 /nfs/dbraw/zinc/70/50/69/1130705069.db2.gz YYVIJEYVWRFALP-UHFFFAOYSA-N -1 3 325.133 3.651 20 0 EHADHM O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1cncc([O-])c1 ZINC000731915287 1130861281 /nfs/dbraw/zinc/86/12/81/1130861281.db2.gz GHDLTWDKKOYKKE-IBGZPJMESA-N -1 3 333.343 3.568 20 0 EHADHM O=C(Nc1ccnc(-c2ccccc2)c1)c1c[n-]c2ccccc2c1=O ZINC000347930712 1131090536 /nfs/dbraw/zinc/09/05/36/1131090536.db2.gz GZDMQRDOHRQZSJ-UHFFFAOYSA-N -1 3 341.370 3.842 20 0 EHADHM Cc1cc(=O)[n-]c([C@H](C)N(C)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000177913472 1131228380 /nfs/dbraw/zinc/22/83/80/1131228380.db2.gz ANPINOVSVMXQNQ-NSHDSACASA-N -1 3 325.334 3.702 20 0 EHADHM CCC(=CC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(C)cc1 ZINC000741664463 1131633173 /nfs/dbraw/zinc/63/31/73/1131633173.db2.gz IROLILJSBJMPHE-WYMLVPIESA-N -1 3 333.395 3.607 20 0 EHADHM CCC(=CC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(C)cc1 ZINC000741664463 1131633175 /nfs/dbraw/zinc/63/31/75/1131633175.db2.gz IROLILJSBJMPHE-WYMLVPIESA-N -1 3 333.395 3.607 20 0 EHADHM Cc1noc2ncc([N-]S(=O)(=O)/C=C/c3ccccc3Cl)cc12 ZINC000743265378 1131887595 /nfs/dbraw/zinc/88/75/95/1131887595.db2.gz WONYPJFMNWCRAV-VOTSOKGWSA-N -1 3 349.799 3.597 20 0 EHADHM CC(C)CO[C@@H](C)c1noc(COC(=O)c2cc3ccsc3[n-]2)n1 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CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(F)c([O-])c2)nc1 ZINC001191862404 1134928767 /nfs/dbraw/zinc/92/87/67/1134928767.db2.gz XHKVTMRQGPHJSU-UHFFFAOYSA-N -1 3 347.346 3.526 20 0 EHADHM CC(C)(C)c1ccc(C(=O)N2CCC[C@@H]2Cc2ccccn2)c([O-])c1 ZINC001192327576 1134998957 /nfs/dbraw/zinc/99/89/57/1134998957.db2.gz XNDOGGHOQOQASE-QGZVFWFLSA-N -1 3 338.451 3.932 20 0 EHADHM Cc1cccc([N-]S(=O)(=O)c2cnc(Cl)cc2C)c1Cl ZINC001192367476 1135007420 /nfs/dbraw/zinc/00/74/20/1135007420.db2.gz DFAZVIKFNIWSNX-UHFFFAOYSA-N -1 3 331.224 3.806 20 0 EHADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCCc2ccc(F)cc21 ZINC000794057824 1135015988 /nfs/dbraw/zinc/01/59/88/1135015988.db2.gz LKHSRRHPVLNVPW-OAHLLOKOSA-N -1 3 343.402 3.561 20 0 EHADHM COc1cccc(CC2(C(=O)[N-]OC/C=C/Cl)CCCCC2)c1 ZINC000794304846 1135038115 /nfs/dbraw/zinc/03/81/15/1135038115.db2.gz JKFDXDCYRKYRSV-IZZDOVSWSA-N -1 3 337.847 3.989 20 0 EHADHM CC([N-]S(=O)(=O)c1csnc1-c1ccccc1)(C1CC1)C1CC1 ZINC001192799176 1135056362 /nfs/dbraw/zinc/05/63/62/1135056362.db2.gz 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O=C(OCc1noc(C2CCCCC2)n1)c1cccc(Cl)c1[O-] ZINC000775929502 1135877376 /nfs/dbraw/zinc/87/73/76/1135877376.db2.gz LMFHYAKYRJOLNI-UHFFFAOYSA-N -1 3 336.775 3.833 20 0 EHADHM O=C(OCc1nc(C(F)(F)F)cs1)c1cccc(Cl)c1[O-] ZINC000775932265 1135878202 /nfs/dbraw/zinc/87/82/02/1135878202.db2.gz GMFVEWFJIZLACV-UHFFFAOYSA-N -1 3 337.706 3.878 20 0 EHADHM CC1(C)[C@H](OC(=O)c2cc3cc(Cl)sc3[n-]2)[C@@H]2CCO[C@H]21 ZINC000810591852 1135979495 /nfs/dbraw/zinc/97/94/95/1135979495.db2.gz IMAKDNVWLUPFHS-GGZOMVNGSA-N -1 3 325.817 3.853 20 0 EHADHM Cc1ccc([C@@H](OC(=O)Cc2c(C)nc(C)[n-]c2=O)C(C)(C)C)cc1 ZINC000776151103 1136003819 /nfs/dbraw/zinc/00/38/19/1136003819.db2.gz FCKUGKGNIZKJIA-GOSISDBHSA-N -1 3 342.439 3.981 20 0 EHADHM CC(C)[C@](C)(Cc1ccccc1)NC(=O)c1c[n-]c2ccccc2c1=O ZINC001132466377 1136006673 /nfs/dbraw/zinc/00/66/73/1136006673.db2.gz ZXULUIGGKMQRQE-QFIPXVFZSA-N -1 3 348.446 3.915 20 0 EHADHM CCOC(=O)c1cnoc1[N-]C(=O)Nc1ccc(Cl)cc1Cl ZINC001202072380 1136089734 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C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1nnc2ccccc2c1[O-] ZINC000109943527 1136371705 /nfs/dbraw/zinc/37/17/05/1136371705.db2.gz XUALZAWMLPVTSA-LBPRGKRZSA-N -1 3 347.374 3.503 20 0 EHADHM COC(=O)c1nc(C(F)(F)F)ccc1-c1ccc([O-])cc1Cl ZINC001245084266 1136380750 /nfs/dbraw/zinc/38/07/50/1136380750.db2.gz VQBDMMXSXSPFPD-UHFFFAOYSA-N -1 3 331.677 3.913 20 0 EHADHM CCN(Cc1cc2cc(Cl)ccc2nc1Cl)[C@H](C)C(=O)[O-] ZINC000852730171 1136481111 /nfs/dbraw/zinc/48/11/11/1136481111.db2.gz OWXHCGXLPQEVCP-SECBINFHSA-N -1 3 327.211 3.837 20 0 EHADHM C[C@@H](NCc1nc(=O)c2sccc2[n-]1)c1ccc2c(c1)CCCO2 ZINC000852781211 1136485505 /nfs/dbraw/zinc/48/55/05/1136485505.db2.gz LEFYIYFNAVHCAP-LLVKDONJSA-N -1 3 341.436 3.573 20 0 EHADHM S=c1nc(-c2ccccn2)[n-]n1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000853633779 1136550940 /nfs/dbraw/zinc/55/09/40/1136550940.db2.gz DMMWCODKTYTREB-ZFWWWQNUSA-N -1 3 329.473 3.615 20 0 EHADHM C[C@@H](CC1CC1)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509477140 1136625374 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CCc1cccc(C(=O)Nc2nc3ccc(OC)cc3s2)c1[O-] ZINC001135918837 1136811744 /nfs/dbraw/zinc/81/17/44/1136811744.db2.gz JIPHYNXPHHREPZ-UHFFFAOYSA-N -1 3 328.393 3.825 20 0 EHADHM CO[C@H](C)[C@H](C)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817448449 1136811997 /nfs/dbraw/zinc/81/19/97/1136811997.db2.gz RSINCOXTFNYEID-JGVFFNPUSA-N -1 3 326.170 3.625 20 0 EHADHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC001136020227 1136838914 /nfs/dbraw/zinc/83/89/14/1136838914.db2.gz VIUVDEVDIIGUDH-RRFJBIMHSA-N -1 3 342.439 3.605 20 0 EHADHM Nc1ccc(C(=O)N(CCc2ccccc2F)C2CCCC2)c([O-])c1 ZINC000817919821 1136846430 /nfs/dbraw/zinc/84/64/30/1136846430.db2.gz ZFJAQZPPGNQDML-UHFFFAOYSA-N -1 3 342.414 3.741 20 0 EHADHM CC(C)[C@@H]([N-]C(=O)C(F)(F)C1(O)CCC1)c1ccc(Cl)cc1F ZINC000857484225 1136876350 /nfs/dbraw/zinc/87/63/50/1136876350.db2.gz XSFRBMOPTCRTRH-CYBMUJFWSA-N -1 3 349.780 3.843 20 0 EHADHM Cc1ccc(C(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)cc1C ZINC000011809035 1136888523 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CCN1CCc2ccc(NC(=O)c3cc4c(cc3[O-])CCCC4)cc21 ZINC001136593777 1137062821 /nfs/dbraw/zinc/06/28/21/1137062821.db2.gz OMVLSOIRKBTEKI-UHFFFAOYSA-N -1 3 336.435 3.906 20 0 EHADHM CCc1cccc(C(=O)N[C@H](C)c2nc3ccccc3n2CC)c1[O-] ZINC001136663250 1137083824 /nfs/dbraw/zinc/08/38/24/1137083824.db2.gz JNSMXOZDISVOBC-CYBMUJFWSA-N -1 3 337.423 3.815 20 0 EHADHM CCOc1cc(-c2noc([C@@H]3C[C@@H](C)CCN3)n2)cc(Cl)c1[O-] ZINC000823052252 1137084120 /nfs/dbraw/zinc/08/41/20/1137084120.db2.gz QUFXSVGMZKJQKR-CABZTGNLSA-N -1 3 337.807 3.555 20 0 EHADHM O=C(CCCc1ccc2c(c1)OCCCO2)[N-]OC1CCCCC1 ZINC000860992491 1137087278 /nfs/dbraw/zinc/08/72/78/1137087278.db2.gz PKRGDZAYSFNRJK-UHFFFAOYSA-N -1 3 333.428 3.551 20 0 EHADHM Cc1cc(-c2noc(-c3cncc([O-])c3)n2)cc(C)c1Br ZINC000228400992 1137133654 /nfs/dbraw/zinc/13/36/54/1137133654.db2.gz PYCIFJHMECWVPW-UHFFFAOYSA-N -1 3 346.184 3.884 20 0 EHADHM COC(=O)c1cc(Cl)cc(NC(=O)N[C@@H](C)c2ccccc2)c1[O-] ZINC001202506723 1137145291 /nfs/dbraw/zinc/14/52/91/1137145291.db2.gz CCEDAVIFGOIGRL-JTQLQIEISA-N -1 3 348.786 3.715 20 0 EHADHM O=C(Nc1ccc2c(c1)COC(=O)N2)c1ccc2c(c1[O-])CCCC2 ZINC000862784823 1137157273 /nfs/dbraw/zinc/15/72/73/1137157273.db2.gz RMHXKBGOPYZZGC-UHFFFAOYSA-N -1 3 338.363 3.585 20 0 EHADHM CCCOc1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)cc1F ZINC000863534056 1137191018 /nfs/dbraw/zinc/19/10/18/1137191018.db2.gz HPOHFRDFTXHVFU-UHFFFAOYSA-N -1 3 331.269 3.609 20 0 EHADHM CCCOc1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cc1F ZINC000863534056 1137191020 /nfs/dbraw/zinc/19/10/20/1137191020.db2.gz HPOHFRDFTXHVFU-UHFFFAOYSA-N -1 3 331.269 3.609 20 0 EHADHM CCCO[N-]C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC000844086960 1137196948 /nfs/dbraw/zinc/19/69/48/1137196948.db2.gz STBSWGVSNOBOJD-UHFFFAOYSA-N -1 3 332.347 3.706 20 0 EHADHM Cc1ccc2ncc(C(=O)[O-])c(N3CC[C@@H](c4ccccn4)C3)c2c1 ZINC000844209115 1137204542 /nfs/dbraw/zinc/20/45/42/1137204542.db2.gz SYMGBMWIIWDFBR-CQSZACIVSA-N -1 3 333.391 3.630 20 0 EHADHM CC(C)c1ncc([N-]S(=O)(=O)/C=C/c2cccc(Cl)c2)cn1 ZINC000794615633 1137220989 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O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1 ZINC001144633273 1137321250 /nfs/dbraw/zinc/32/12/50/1137321250.db2.gz OAKOMWXDLXVSTL-LXDRIQHSSA-N -1 3 339.410 3.772 20 0 EHADHM CC(C)N(CCOc1ccc(/C=C\C(=O)[O-])cc1)Cc1ccco1 ZINC000846239524 1137342867 /nfs/dbraw/zinc/34/28/67/1137342867.db2.gz QTHRIPZUGDCVCY-YFHOEESVSA-N -1 3 329.396 3.667 20 0 EHADHM CCCCCCN1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC000846276140 1137344723 /nfs/dbraw/zinc/34/47/23/1137344723.db2.gz NZBYYUGRLPPNMT-HNNXBMFYSA-N -1 3 340.261 3.841 20 0 EHADHM O=C1[N-]C(=O)C(=CNc2c(Cl)cccc2Cl)c2ccccc21 ZINC000016718921 1137384395 /nfs/dbraw/zinc/38/43/95/1137384395.db2.gz FOJADDRTBPJBCW-DHZHZOJOSA-N -1 3 333.174 3.716 20 0 EHADHM CC(C)c1ccc(CCCNC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC001146292272 1137388431 /nfs/dbraw/zinc/38/84/31/1137388431.db2.gz WQCANXWSEKUBNY-UHFFFAOYSA-N -1 3 340.402 3.583 20 0 EHADHM CCc1ccc(C(=O)NCCc2ccc(Br)cc2)c([O-])c1 ZINC001146409953 1137389884 /nfs/dbraw/zinc/38/98/84/1137389884.db2.gz 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1137431519 /nfs/dbraw/zinc/43/15/19/1137431519.db2.gz XSJLEDTTWOOXEB-UHFFFAOYSA-N -1 3 333.387 3.721 20 0 EHADHM CC(=O)c1cc(C(=O)NCC2(C)CCC(F)(F)CC2)ccc1[O-] ZINC001148670131 1137431585 /nfs/dbraw/zinc/43/15/85/1137431585.db2.gz FCNHJKRSUVADGX-UHFFFAOYSA-N -1 3 325.355 3.540 20 0 EHADHM CC[C@](C)([N-]C(=O)C(F)(F)c1nccs1)c1ccc(F)cc1 ZINC000869792528 1137466102 /nfs/dbraw/zinc/46/61/02/1137466102.db2.gz MXMNNDPQSXGKAQ-AWEZNQCLSA-N -1 3 328.359 3.816 20 0 EHADHM C[C@H](C1CC1)N(C(=O)c1nnc2ccccc2c1[O-])c1ccccc1 ZINC000869881011 1137470328 /nfs/dbraw/zinc/47/03/28/1137470328.db2.gz WZZHQOWWVHEROW-CYBMUJFWSA-N -1 3 333.391 3.781 20 0 EHADHM Cc1sc2[n-]c([C@H](C)OC(=O)[C@@H]3C[C@@H]3[C@@H]3C[C@@H]3C)nc(=O)c2c1C ZINC000869886769 1137470601 /nfs/dbraw/zinc/47/06/01/1137470601.db2.gz AMCXKFAXVRZKRT-JAFSSTQQSA-N -1 3 346.452 3.910 20 0 EHADHM O=C(NCC[C@H]1CC=CCC1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001171556964 1137497684 /nfs/dbraw/zinc/49/76/84/1137497684.db2.gz LBMUTSGVRYGYQN-LBPRGKRZSA-N -1 3 330.815 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GNLWAHWPYTWFIL-KBXCAEBGSA-N -1 3 337.419 3.861 20 0 EHADHM O=C(OCc1nnc(-c2ccccc2[O-])o1)C1[C@@H]2CCCCCC[C@@H]12 ZINC000884585802 1137963820 /nfs/dbraw/zinc/96/38/20/1137963820.db2.gz USLRUOJCSZHYAE-CHWSQXEVSA-N -1 3 342.395 3.702 20 0 EHADHM Cc1ccc([O-])c(CN[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)n1 ZINC000348358467 1138030282 /nfs/dbraw/zinc/03/02/82/1138030282.db2.gz KKRNFIBEQFUHRT-LLVKDONJSA-N -1 3 344.802 3.650 20 0 EHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@@H](C2CCOCC2)C1 ZINC000886154505 1138053456 /nfs/dbraw/zinc/05/34/56/1138053456.db2.gz IRLZGAFNEGZBAB-QGZVFWFLSA-N -1 3 349.446 3.519 20 0 EHADHM CC(C)(CNC(=O)c1cc2sccc2c([O-])c1)C1CCOCC1 ZINC000887388465 1138298689 /nfs/dbraw/zinc/29/86/89/1138298689.db2.gz JPTKINJPVGFGDM-UHFFFAOYSA-N -1 3 333.453 3.790 20 0 EHADHM CC1(C)CC[C@H](CCNC(=O)CCCc2ccc([O-])c(F)c2)OC1 ZINC000887416364 1138314898 /nfs/dbraw/zinc/31/48/98/1138314898.db2.gz KNKFDZQMZIELJC-OAHLLOKOSA-N -1 3 337.435 3.566 20 0 EHADHM CSc1ccccc1[C@@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000337066128 1138459400 /nfs/dbraw/zinc/45/94/00/1138459400.db2.gz JZGLYFPDLACHSJ-LLVKDONJSA-N -1 3 334.416 3.814 20 0 EHADHM CCSc1ccc([C@@H](C)NC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000337493758 1138585632 /nfs/dbraw/zinc/58/56/32/1138585632.db2.gz PMAQFJMBOZVYST-SNVBAGLBSA-N -1 3 344.415 3.700 20 0 EHADHM CCc1nccn1[C@@H]1CCCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000264641222 1138588734 /nfs/dbraw/zinc/58/87/34/1138588734.db2.gz BZOUMSCYUKEKJE-MRXNPFEDSA-N -1 3 341.455 3.752 20 0 EHADHM CC[C@H](C)Oc1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000337515357 1138591835 /nfs/dbraw/zinc/59/18/35/1138591835.db2.gz LOPWFVRUCUYSMF-ZDUSSCGKSA-N -1 3 336.391 3.958 20 0 EHADHM O=C(CCc1cccc(OC2CCCC2)c1)[N-]OCc1cccnc1 ZINC000152642679 1139101566 /nfs/dbraw/zinc/10/15/66/1139101566.db2.gz DVBAMPZPNQIIFM-UHFFFAOYSA-N -1 3 340.423 3.584 20 0 EHADHM COc1cc(NCc2c(F)ccc([O-])c2F)c(OC)cc1Cl ZINC000509525896 1139363562 /nfs/dbraw/zinc/36/35/62/1139363562.db2.gz MEPSDAIKUIPQNU-UHFFFAOYSA-N -1 3 329.730 3.953 20 0 EHADHM CCOC[C@@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000175854772 1139523309 /nfs/dbraw/zinc/52/33/09/1139523309.db2.gz JNZKASOBKCLKEY-OAHLLOKOSA-N -1 3 341.407 3.683 20 0 EHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(C)=C3CCCC3)c2)n1 ZINC000176556135 1139564119 /nfs/dbraw/zinc/56/41/19/1139564119.db2.gz YXBRONCUNIRJBE-UHFFFAOYSA-N -1 3 337.423 3.828 20 0 EHADHM Fc1ccc(-c2nc(C[N-]c3nnc([C@@H]4CCCO4)o3)cs2)cc1 ZINC000181793186 1139931183 /nfs/dbraw/zinc/93/11/83/1139931183.db2.gz MDWQCYLVQDFLRN-ZDUSSCGKSA-N -1 3 346.387 3.796 20 0 EHADHM CCCCCc1nnc(NC(=O)[N-]OCc2ccc(F)cc2)s1 ZINC000182897879 1139999642 /nfs/dbraw/zinc/99/96/42/1139999642.db2.gz WMLYIOAFBXZXFQ-UHFFFAOYSA-N -1 3 338.408 3.663 20 0 EHADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](C)c2cccc(C(F)(F)F)c2)n1 ZINC000192722394 1140547179 /nfs/dbraw/zinc/54/71/79/1140547179.db2.gz LKSFQGQHIUOZKZ-GHMZBOCLSA-N -1 3 325.334 3.921 20 0 EHADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](C)c2ccc(OCC3CC3)c(F)c2)n1 ZINC000192763037 1140549292 /nfs/dbraw/zinc/54/92/92/1140549292.db2.gz GJKWBVAMDZZNHE-CHWSQXEVSA-N -1 3 345.418 3.830 20 0 EHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(CCC(C)C)C2CCCC2)c1 ZINC000270080619 1141176978 /nfs/dbraw/zinc/17/69/78/1141176978.db2.gz WXVCDFWTHRAOPV-UHFFFAOYSA-N -1 3 332.444 3.782 20 0 EHADHM Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)c1ccc(C)cc1[O-] ZINC000271502188 1141382227 /nfs/dbraw/zinc/38/22/27/1141382227.db2.gz ZBRKWMRRKGZHTG-INIZCTEOSA-N -1 3 349.434 3.664 20 0 EHADHM Cc1c(C(=O)Nc2n[n-]c(-c3ccco3)n2)cccc1-c1ccccn1 ZINC000339165772 1141515474 /nfs/dbraw/zinc/51/54/74/1141515474.db2.gz CRTSRESDUFVNMN-UHFFFAOYSA-N -1 3 345.362 3.687 20 0 EHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@H](c2ccccc2)C1 ZINC000348924130 1141610030 /nfs/dbraw/zinc/61/00/30/1141610030.db2.gz YCLCQUDYRWFDKK-INIZCTEOSA-N -1 3 332.403 3.548 20 0 EHADHM CC(C)(C)c1nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2[nH]1 ZINC000098068702 219077976 /nfs/dbraw/zinc/07/79/76/219077976.db2.gz SPLXYGMVMLBCAD-UHFFFAOYSA-N -1 3 347.415 3.800 20 0 EHADHM Cc1ccc([O-])c(C(=O)N(C)Cc2ccc(Br)cc2)c1 ZINC000035903318 213051840 /nfs/dbraw/zinc/05/18/40/213051840.db2.gz INUNTXLKKULSIK-UHFFFAOYSA-N -1 3 334.213 3.735 20 0 EHADHM Clc1ccc2c(c1Cl)CC[C@H]2Nc1ncccc1-c1nnn[n-]1 ZINC000737573043 598829065 /nfs/dbraw/zinc/82/90/65/598829065.db2.gz IWQYENQBFTUUFJ-GFCCVEGCSA-N -1 3 347.209 3.668 20 0 EHADHM Clc1ccc2c(c1Cl)CC[C@H]2Nc1ncccc1-c1nn[n-]n1 ZINC000737573043 598829067 /nfs/dbraw/zinc/82/90/67/598829067.db2.gz IWQYENQBFTUUFJ-GFCCVEGCSA-N -1 3 347.209 3.668 20 0 EHADHM Cc1cccc(NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1C ZINC000737398530 598851275 /nfs/dbraw/zinc/85/12/75/598851275.db2.gz BGKIZVWGQQXRIX-UHFFFAOYSA-N -1 3 342.790 3.781 20 0 EHADHM Cc1cccc(NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1C ZINC000737398530 598851276 /nfs/dbraw/zinc/85/12/76/598851276.db2.gz BGKIZVWGQQXRIX-UHFFFAOYSA-N -1 3 342.790 3.781 20 0 EHADHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000607104835 598910144 /nfs/dbraw/zinc/91/01/44/598910144.db2.gz IORWXHRXNOWZJH-ZWKOTPCHSA-N -1 3 347.422 3.732 20 0 EHADHM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000607104835 598910146 /nfs/dbraw/zinc/91/01/46/598910146.db2.gz IORWXHRXNOWZJH-ZWKOTPCHSA-N -1 3 347.422 3.732 20 0 EHADHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000607104834 598910393 /nfs/dbraw/zinc/91/03/93/598910393.db2.gz IORWXHRXNOWZJH-ROUUACIJSA-N -1 3 347.422 3.732 20 0 EHADHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000607104834 598910395 /nfs/dbraw/zinc/91/03/95/598910395.db2.gz IORWXHRXNOWZJH-ROUUACIJSA-N -1 3 347.422 3.732 20 0 EHADHM Cc1ccc([C@H]2CCCN2c2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737330978 598937452 /nfs/dbraw/zinc/93/74/52/598937452.db2.gz LDUMENDZDDXWBA-OAHLLOKOSA-N -1 3 340.818 3.565 20 0 EHADHM Cc1ccc([C@H]2CCCN2c2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737330978 598937454 /nfs/dbraw/zinc/93/74/54/598937454.db2.gz LDUMENDZDDXWBA-OAHLLOKOSA-N -1 3 340.818 3.565 20 0 EHADHM C[C@H](Sc1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(F)cc1 ZINC000736189829 598939953 /nfs/dbraw/zinc/93/99/53/598939953.db2.gz CGHHXAWDHKQRCL-QMMMGPOBSA-N -1 3 335.795 3.908 20 0 EHADHM C[C@H](Sc1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(F)cc1 ZINC000736189829 598939955 /nfs/dbraw/zinc/93/99/55/598939955.db2.gz CGHHXAWDHKQRCL-QMMMGPOBSA-N -1 3 335.795 3.908 20 0 EHADHM C[C@@H]1CN(c2ccc(F)cc2-c2nnn[n-]2)CC[C@@H]1c1ccccc1 ZINC000820774837 599050394 /nfs/dbraw/zinc/05/03/94/599050394.db2.gz GJOWIBHVIQGLBG-CJNGLKHVSA-N -1 3 337.402 3.636 20 0 EHADHM C[C@@H]1CN(c2ccc(F)cc2-c2nn[n-]n2)CC[C@@H]1c1ccccc1 ZINC000820774837 599050396 /nfs/dbraw/zinc/05/03/96/599050396.db2.gz GJOWIBHVIQGLBG-CJNGLKHVSA-N -1 3 337.402 3.636 20 0 EHADHM C[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CC[C@@H]1c1ccccc1 ZINC000820775392 599050578 /nfs/dbraw/zinc/05/05/78/599050578.db2.gz HVRCWBIROPOJDQ-HIFRSBDPSA-N -1 3 337.402 3.636 20 0 EHADHM C[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CC[C@@H]1c1ccccc1 ZINC000820775392 599050581 /nfs/dbraw/zinc/05/05/81/599050581.db2.gz HVRCWBIROPOJDQ-HIFRSBDPSA-N -1 3 337.402 3.636 20 0 EHADHM CCC(CC)(CNc1cc(-c2nnn[n-]2)c2ccccc2n1)SC ZINC000820887553 599085347 /nfs/dbraw/zinc/08/53/47/599085347.db2.gz GGCWRZWXHTURGR-UHFFFAOYSA-N -1 3 342.472 3.749 20 0 EHADHM CCC(CC)(CNc1cc(-c2nn[n-]n2)c2ccccc2n1)SC ZINC000820887553 599085349 /nfs/dbraw/zinc/08/53/49/599085349.db2.gz GGCWRZWXHTURGR-UHFFFAOYSA-N -1 3 342.472 3.749 20 0 EHADHM CCCCCC[C@H](CC)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736445674 599194839 /nfs/dbraw/zinc/19/48/39/599194839.db2.gz LZHAVPULQOXOLH-ZDUSSCGKSA-N -1 3 345.447 3.810 20 0 EHADHM CCCCCC[C@H](CC)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736445674 599194841 /nfs/dbraw/zinc/19/48/41/599194841.db2.gz LZHAVPULQOXOLH-ZDUSSCGKSA-N -1 3 345.447 3.810 20 0 EHADHM Cc1c(NC(=O)CC/C=C\c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822065919 607268030 /nfs/dbraw/zinc/26/80/30/607268030.db2.gz BSKNQKQLHRIAOV-YHYXMXQVSA-N -1 3 333.395 3.607 20 0 EHADHM Cc1c(NC(=O)CC/C=C\c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822065919 607268031 /nfs/dbraw/zinc/26/80/31/607268031.db2.gz BSKNQKQLHRIAOV-YHYXMXQVSA-N -1 3 333.395 3.607 20 0 EHADHM Cc1c(NC(=O)[C@@H](c2ccccc2)C(C)C)cccc1-c1nnn[n-]1 ZINC000822061733 607296650 /nfs/dbraw/zinc/29/66/50/607296650.db2.gz WKQKRPNTVQSFLB-QGZVFWFLSA-N -1 3 335.411 3.553 20 0 EHADHM Cc1c(NC(=O)[C@@H](c2ccccc2)C(C)C)cccc1-c1nn[n-]n1 ZINC000822061733 607296651 /nfs/dbraw/zinc/29/66/51/607296651.db2.gz WKQKRPNTVQSFLB-QGZVFWFLSA-N -1 3 335.411 3.553 20 0 EHADHM CSc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000821982733 607316290 /nfs/dbraw/zinc/31/62/90/607316290.db2.gz AABSFWYXKPZYKL-UHFFFAOYSA-N -1 3 331.832 3.854 20 0 EHADHM CSc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000821982733 607316291 /nfs/dbraw/zinc/31/62/91/607316291.db2.gz AABSFWYXKPZYKL-UHFFFAOYSA-N -1 3 331.832 3.854 20 0 EHADHM Cc1cccc([C@@H]2CCCCN2c2ccc(-c3nnn[n-]3)nc2)c1C ZINC000822299523 607327636 /nfs/dbraw/zinc/32/76/36/607327636.db2.gz LPHVZXDYWNSYIO-SFHVURJKSA-N -1 3 334.427 3.610 20 0 EHADHM Cc1cccc([C@@H]2CCCCN2c2ccc(-c3nn[n-]n3)nc2)c1C ZINC000822299523 607327637 /nfs/dbraw/zinc/32/76/37/607327637.db2.gz LPHVZXDYWNSYIO-SFHVURJKSA-N -1 3 334.427 3.610 20 0 EHADHM COc1ccc2ccccc2c1CNc1ccc(-c2nn[n-]n2)cc1F ZINC000737120688 598237301 /nfs/dbraw/zinc/23/73/01/598237301.db2.gz RQODLMWJNIGOPF-UHFFFAOYSA-N -1 3 349.369 3.780 20 0 EHADHM Cc1ccc([C@@H]2CCCN2c2cccc(F)c2-c2nnn[n-]2)cc1C ZINC000737334061 598242019 /nfs/dbraw/zinc/24/20/19/598242019.db2.gz XARMJQJXPQLMQX-INIZCTEOSA-N -1 3 337.402 3.964 20 0 EHADHM Cc1ccc([C@@H]2CCCN2c2cccc(F)c2-c2nn[n-]n2)cc1C ZINC000737334061 598242021 /nfs/dbraw/zinc/24/20/21/598242021.db2.gz XARMJQJXPQLMQX-INIZCTEOSA-N -1 3 337.402 3.964 20 0 EHADHM CCOc1cccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736653506 598242914 /nfs/dbraw/zinc/24/29/14/598242914.db2.gz AZPOQRAWRZMSMI-LLVKDONJSA-N -1 3 327.363 3.578 20 0 EHADHM Cc1cccc2c1CC[C@H]2Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000737409649 598243697 /nfs/dbraw/zinc/24/36/97/598243697.db2.gz PEKAEKZIYBZVON-OAHLLOKOSA-N -1 3 325.803 3.928 20 0 EHADHM Cc1cccc2c1CC[C@H]2Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000737409649 598243698 /nfs/dbraw/zinc/24/36/98/598243698.db2.gz PEKAEKZIYBZVON-OAHLLOKOSA-N -1 3 325.803 3.928 20 0 EHADHM FC(F)(F)c1cc(NCc2cccs2)ccc1-c1nnn[n-]1 ZINC000737630974 598274359 /nfs/dbraw/zinc/27/43/59/598274359.db2.gz ACVPHSZHZRXHCX-UHFFFAOYSA-N -1 3 325.319 3.559 20 0 EHADHM FC(F)(F)c1cc(NCc2cccs2)ccc1-c1nn[n-]n1 ZINC000737630974 598274361 /nfs/dbraw/zinc/27/43/61/598274361.db2.gz ACVPHSZHZRXHCX-UHFFFAOYSA-N -1 3 325.319 3.559 20 0 EHADHM C[C@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000735977710 598289131 /nfs/dbraw/zinc/28/91/31/598289131.db2.gz QZERZESJUREVRH-CYBMUJFWSA-N -1 3 328.416 3.516 20 0 EHADHM C[C@H](CC(=O)OCc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000735977710 598289132 /nfs/dbraw/zinc/28/91/32/598289132.db2.gz QZERZESJUREVRH-CYBMUJFWSA-N -1 3 328.416 3.516 20 0 EHADHM Cc1csc(-c2cccc(OCc3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000737447883 598313079 /nfs/dbraw/zinc/31/30/79/598313079.db2.gz GPBZMDMNTRLQTM-UHFFFAOYSA-N -1 3 349.419 3.878 20 0 EHADHM Cc1csc(-c2cccc(OCc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000737447883 598313081 /nfs/dbraw/zinc/31/30/81/598313081.db2.gz GPBZMDMNTRLQTM-UHFFFAOYSA-N -1 3 349.419 3.878 20 0 EHADHM c1c(CSCc2ccc(-c3nnn[n-]3)cc2)onc1-c1ccccc1 ZINC000738422415 598314494 /nfs/dbraw/zinc/31/44/94/598314494.db2.gz YCRBDANZMAXZBY-UHFFFAOYSA-N -1 3 349.419 3.955 20 0 EHADHM c1c(CSCc2ccc(-c3nn[n-]n3)cc2)onc1-c1ccccc1 ZINC000738422415 598314495 /nfs/dbraw/zinc/31/44/95/598314495.db2.gz YCRBDANZMAXZBY-UHFFFAOYSA-N -1 3 349.419 3.955 20 0 EHADHM Cc1cccc(N(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000737396308 598328550 /nfs/dbraw/zinc/32/85/50/598328550.db2.gz GVABCLHSBRWOGX-QXMHVHEDSA-N -1 3 347.422 3.630 20 0 EHADHM Cc1cccc(N(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000737396308 598328551 /nfs/dbraw/zinc/32/85/51/598328551.db2.gz GVABCLHSBRWOGX-QXMHVHEDSA-N -1 3 347.422 3.630 20 0 EHADHM Cc1cccc(C2(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CCCC2)c1 ZINC000588632165 598364903 /nfs/dbraw/zinc/36/49/03/598364903.db2.gz ODOKGOAZQFELAX-UHFFFAOYSA-N -1 3 347.422 3.626 20 0 EHADHM Cc1cccc(C2(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CCCC2)c1 ZINC000588632165 598364904 /nfs/dbraw/zinc/36/49/04/598364904.db2.gz ODOKGOAZQFELAX-UHFFFAOYSA-N -1 3 347.422 3.626 20 0 EHADHM Fc1ccc2c(c1)[C@H](Nc1ccc(Cl)cc1-c1nnn[n-]1)CC2 ZINC000737669099 598388803 /nfs/dbraw/zinc/38/88/03/598388803.db2.gz ZRBFULJYJRJRON-CQSZACIVSA-N -1 3 329.766 3.759 20 0 EHADHM Fc1ccc2c(c1)[C@H](Nc1ccc(Cl)cc1-c1nn[n-]n1)CC2 ZINC000737669099 598388805 /nfs/dbraw/zinc/38/88/05/598388805.db2.gz ZRBFULJYJRJRON-CQSZACIVSA-N -1 3 329.766 3.759 20 0 EHADHM Cc1ccc([C@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)c(C)c1 ZINC000737320765 598391549 /nfs/dbraw/zinc/39/15/49/598391549.db2.gz PEEFDWMZZAGCHP-NSHDSACASA-N -1 3 328.807 3.705 20 0 EHADHM Cc1ccc([C@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)c(C)c1 ZINC000737320765 598391551 /nfs/dbraw/zinc/39/15/51/598391551.db2.gz PEEFDWMZZAGCHP-NSHDSACASA-N -1 3 328.807 3.705 20 0 EHADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)c1nc(-c2ccccc2)cs1 ZINC000736136514 598426683 /nfs/dbraw/zinc/42/66/83/598426683.db2.gz FSMYZIDMMMWPOF-LLVKDONJSA-N -1 3 349.423 3.558 20 0 EHADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)c1nc(-c2ccccc2)cs1 ZINC000736136514 598426684 /nfs/dbraw/zinc/42/66/84/598426684.db2.gz FSMYZIDMMMWPOF-LLVKDONJSA-N -1 3 349.423 3.558 20 0 EHADHM C[C@H]1CCN(Cc2cccc(-c3nnn[n-]3)c2)c2ccccc2S1 ZINC000736277846 598431239 /nfs/dbraw/zinc/43/12/39/598431239.db2.gz ZGBZXSJKXSTHPI-ZDUSSCGKSA-N -1 3 337.452 3.758 20 0 EHADHM C[C@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2)c2ccccc2S1 ZINC000736277846 598431240 /nfs/dbraw/zinc/43/12/40/598431240.db2.gz ZGBZXSJKXSTHPI-ZDUSSCGKSA-N -1 3 337.452 3.758 20 0 EHADHM C[C@H]1CCCC[C@H]1CC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736258919 598488522 /nfs/dbraw/zinc/48/85/22/598488522.db2.gz CQADZQZSMNBBLV-STQMWFEESA-N -1 3 344.463 3.578 20 0 EHADHM C[C@H]1CCCC[C@H]1CC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736258919 598488525 /nfs/dbraw/zinc/48/85/25/598488525.db2.gz CQADZQZSMNBBLV-STQMWFEESA-N -1 3 344.463 3.578 20 0 EHADHM CCOCc1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000736627970 598507628 /nfs/dbraw/zinc/50/76/28/598507628.db2.gz XZHHCWNNVGBGTR-UHFFFAOYSA-N -1 3 343.818 3.669 20 0 EHADHM CCOCc1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000736627970 598507630 /nfs/dbraw/zinc/50/76/30/598507630.db2.gz XZHHCWNNVGBGTR-UHFFFAOYSA-N -1 3 343.818 3.669 20 0 EHADHM Cc1cccc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000737394370 598573576 /nfs/dbraw/zinc/57/35/76/598573576.db2.gz RTCJQLGDMTURSJ-UHFFFAOYSA-N -1 3 333.317 3.806 20 0 EHADHM Cc1cccc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000737394370 598573577 /nfs/dbraw/zinc/57/35/77/598573577.db2.gz RTCJQLGDMTURSJ-UHFFFAOYSA-N -1 3 333.317 3.806 20 0 EHADHM Clc1cccc(-c2nnn[n-]2)c1NCCCOC1CCCCC1 ZINC000737573287 598630730 /nfs/dbraw/zinc/63/07/30/598630730.db2.gz FQAKFPFROSPPOC-UHFFFAOYSA-N -1 3 335.839 3.671 20 0 EHADHM Clc1cccc(-c2nn[n-]n2)c1NCCCOC1CCCCC1 ZINC000737573287 598630732 /nfs/dbraw/zinc/63/07/32/598630732.db2.gz FQAKFPFROSPPOC-UHFFFAOYSA-N -1 3 335.839 3.671 20 0 EHADHM Fc1ccc2c(c1)CC[C@H]2Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737663888 598658262 /nfs/dbraw/zinc/65/82/62/598658262.db2.gz AFQNCWJNUCHZDW-OAHLLOKOSA-N -1 3 329.766 3.759 20 0 EHADHM Fc1ccc2c(c1)CC[C@H]2Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737663888 598658264 /nfs/dbraw/zinc/65/82/64/598658264.db2.gz AFQNCWJNUCHZDW-OAHLLOKOSA-N -1 3 329.766 3.759 20 0 EHADHM CCN(C(=O)CCCC(C)(C)C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503410 598736166 /nfs/dbraw/zinc/73/61/66/598736166.db2.gz WEKOQPUAGRTPOV-CQSZACIVSA-N -1 3 343.475 3.993 20 0 EHADHM CCN(C(=O)CCCC(C)(C)C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503410 598736168 /nfs/dbraw/zinc/73/61/68/598736168.db2.gz WEKOQPUAGRTPOV-CQSZACIVSA-N -1 3 343.475 3.993 20 0 EHADHM Clc1ccc(NCCCOC2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000737572983 598791846 /nfs/dbraw/zinc/79/18/46/598791846.db2.gz CGBQEDGHZKTFPV-UHFFFAOYSA-N -1 3 335.839 3.671 20 0 EHADHM Clc1ccc(NCCCOC2CCCCC2)c(-c2nn[n-]n2)c1 ZINC000737572983 598791848 /nfs/dbraw/zinc/79/18/48/598791848.db2.gz CGBQEDGHZKTFPV-UHFFFAOYSA-N -1 3 335.839 3.671 20 0 EHADHM CC(C)Oc1c(Cl)cccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735905182 599305531 /nfs/dbraw/zinc/30/55/31/599305531.db2.gz XQDYRFAUOUVJEZ-UHFFFAOYSA-N -1 3 343.818 3.919 20 0 EHADHM CC(C)Oc1c(Cl)cccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735905182 599305533 /nfs/dbraw/zinc/30/55/33/599305533.db2.gz XQDYRFAUOUVJEZ-UHFFFAOYSA-N -1 3 343.818 3.919 20 0 EHADHM C[C@@H](SCc1nc(C(C)(C)C)no1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192747 599325816 /nfs/dbraw/zinc/32/58/16/599325816.db2.gz LZRRKLWDOMWJLI-SNVBAGLBSA-N -1 3 344.444 3.542 20 0 EHADHM C[C@@H](SCc1nc(C(C)(C)C)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192747 599325820 /nfs/dbraw/zinc/32/58/20/599325820.db2.gz LZRRKLWDOMWJLI-SNVBAGLBSA-N -1 3 344.444 3.542 20 0 EHADHM CCCCc1nc(CSc2ccccc2-c2nnn[n-]2)cs1 ZINC000821077708 599347314 /nfs/dbraw/zinc/34/73/14/599347314.db2.gz QVZDZZBPYHAFCT-UHFFFAOYSA-N -1 3 331.470 3.958 20 0 EHADHM CCCCc1nc(CSc2ccccc2-c2nn[n-]n2)cs1 ZINC000821077708 599347317 /nfs/dbraw/zinc/34/73/17/599347317.db2.gz QVZDZZBPYHAFCT-UHFFFAOYSA-N -1 3 331.470 3.958 20 0 EHADHM c1ccc2c(c1)CC[C@@H]2CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000738437692 599435986 /nfs/dbraw/zinc/43/59/86/599435986.db2.gz SVDPZWWZDBSXAO-CQSZACIVSA-N -1 3 342.406 3.557 20 0 EHADHM c1ccc2c(c1)CC[C@@H]2CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000738437692 599435988 /nfs/dbraw/zinc/43/59/88/599435988.db2.gz SVDPZWWZDBSXAO-CQSZACIVSA-N -1 3 342.406 3.557 20 0 EHADHM CC(C)Oc1ccccc1[C@@H](C)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820177906 599479175 /nfs/dbraw/zinc/47/91/75/599479175.db2.gz DFHQFGVRJXRMSP-GFCCVEGCSA-N -1 3 341.390 3.966 20 0 EHADHM CC(C)Oc1ccccc1[C@@H](C)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820177906 599479176 /nfs/dbraw/zinc/47/91/76/599479176.db2.gz DFHQFGVRJXRMSP-GFCCVEGCSA-N -1 3 341.390 3.966 20 0 EHADHM Fc1ccc(N[C@H]2CCc3c2cccc3Cl)c(-c2nnn[n-]2)c1 ZINC000822778419 599493456 /nfs/dbraw/zinc/49/34/56/599493456.db2.gz HNFAXKYYJFSUBZ-AWEZNQCLSA-N -1 3 329.766 3.759 20 0 EHADHM Fc1ccc(N[C@H]2CCc3c2cccc3Cl)c(-c2nn[n-]n2)c1 ZINC000822778419 599493458 /nfs/dbraw/zinc/49/34/58/599493458.db2.gz HNFAXKYYJFSUBZ-AWEZNQCLSA-N -1 3 329.766 3.759 20 0 EHADHM C[C@H](CN(C)c1c(-c2nnn[n-]2)cnc2ccccc21)c1ccccc1 ZINC000820252786 599520589 /nfs/dbraw/zinc/52/05/89/599520589.db2.gz DSYJZNWZIQLFPQ-CQSZACIVSA-N -1 3 344.422 3.655 20 0 EHADHM C[C@H](CN(C)c1c(-c2nn[n-]n2)cnc2ccccc21)c1ccccc1 ZINC000820252786 599520590 /nfs/dbraw/zinc/52/05/90/599520590.db2.gz DSYJZNWZIQLFPQ-CQSZACIVSA-N -1 3 344.422 3.655 20 0 EHADHM C[C@@H](NC(=O)c1csc2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000820404267 599527304 /nfs/dbraw/zinc/52/73/04/599527304.db2.gz RIBLRUBBNJZWMS-LLVKDONJSA-N -1 3 349.419 3.572 20 0 EHADHM C[C@@H](NC(=O)c1csc2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000820404267 599527306 /nfs/dbraw/zinc/52/73/06/599527306.db2.gz RIBLRUBBNJZWMS-LLVKDONJSA-N -1 3 349.419 3.572 20 0 EHADHM CC[C@@H](CC(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1ccc(C)cc1 ZINC000736335037 599539382 /nfs/dbraw/zinc/53/93/82/599539382.db2.gz ORDPIIYOAUIJCT-AWEZNQCLSA-N -1 3 336.395 3.664 20 0 EHADHM CC[C@@H](CC(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(C)cc1 ZINC000736335037 599539384 /nfs/dbraw/zinc/53/93/84/599539384.db2.gz ORDPIIYOAUIJCT-AWEZNQCLSA-N -1 3 336.395 3.664 20 0 EHADHM Fc1ccc(NCC2(Sc3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC000822779286 599548469 /nfs/dbraw/zinc/54/84/69/599548469.db2.gz ULVLWRVYYXRMLQ-UHFFFAOYSA-N -1 3 341.415 3.743 20 0 EHADHM Fc1ccc(NCC2(Sc3ccccc3)CC2)c(-c2nn[n-]n2)c1 ZINC000822779286 599548470 /nfs/dbraw/zinc/54/84/70/599548470.db2.gz ULVLWRVYYXRMLQ-UHFFFAOYSA-N -1 3 341.415 3.743 20 0 EHADHM CC(C)c1ccccc1OCCNc1ccc(F)cc1-c1nnn[n-]1 ZINC000820197275 599549257 /nfs/dbraw/zinc/54/92/57/599549257.db2.gz IFXPJFOOTZQWDI-UHFFFAOYSA-N -1 3 341.390 3.620 20 0 EHADHM CC(C)c1ccccc1OCCNc1ccc(F)cc1-c1nn[n-]n1 ZINC000820197275 599549258 /nfs/dbraw/zinc/54/92/58/599549258.db2.gz IFXPJFOOTZQWDI-UHFFFAOYSA-N -1 3 341.390 3.620 20 0 EHADHM Cc1cccc(N(C(=O)c2ccc(-c3nnn[n-]3)cc2C)C(C)C)c1 ZINC000826298883 607432337 /nfs/dbraw/zinc/43/23/37/607432337.db2.gz JVKURYHMTOYFJZ-UHFFFAOYSA-N -1 3 335.411 3.539 20 0 EHADHM Cc1cccc(N(C(=O)c2ccc(-c3nn[n-]n3)cc2C)C(C)C)c1 ZINC000826298883 607432338 /nfs/dbraw/zinc/43/23/38/607432338.db2.gz JVKURYHMTOYFJZ-UHFFFAOYSA-N -1 3 335.411 3.539 20 0 EHADHM C[C@@H](C(=O)Nc1cc2ccccc2cc1C(=O)[O-])N1CCCCCC1 ZINC000736217655 600383410 /nfs/dbraw/zinc/38/34/10/600383410.db2.gz ZIAIQFNQNDFUAC-AWEZNQCLSA-N -1 3 340.423 3.741 20 0 EHADHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000736662688 600417087 /nfs/dbraw/zinc/41/70/87/600417087.db2.gz RVZADIBKPACIJJ-APPDUMDISA-N -1 3 347.798 3.588 20 0 EHADHM CC(=O)Nc1cccc([C@@H](C)N[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000736168524 600420499 /nfs/dbraw/zinc/42/04/99/600420499.db2.gz VTFKNUQUMMITLF-DIFFPNOSSA-N -1 3 346.814 3.775 20 0 EHADHM C[C@H](CN[C@@H](C(=O)[O-])c1ccccc1F)Oc1cccc(Cl)c1 ZINC000827502650 600756126 /nfs/dbraw/zinc/75/61/26/600756126.db2.gz NUNCFAOSSZUZNQ-BDJLRTHQSA-N -1 3 337.778 3.662 20 0 EHADHM C[C@@H]1C[C@H](C)CN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC000566359866 600815366 /nfs/dbraw/zinc/81/53/66/600815366.db2.gz ZGSIQZVTOZDJNS-BETUJISGSA-N -1 3 330.453 3.986 20 0 EHADHM Cc1ccc(CCN(Cc2occc2C(=O)[O-])C[C@@H]2CCCO2)cc1 ZINC000572848324 600847906 /nfs/dbraw/zinc/84/79/06/600847906.db2.gz FSHHGUCLIFPQHX-KRWDZBQOSA-N -1 3 343.423 3.510 20 0 EHADHM CC(C)c1csc([C@H]2CCCN(Cc3ccoc3C(=O)[O-])C2)n1 ZINC000578875240 600973709 /nfs/dbraw/zinc/97/37/09/600973709.db2.gz LTJLPPAZOIILDR-ZDUSSCGKSA-N -1 3 334.441 3.937 20 0 EHADHM O=C([O-])CC1(NCc2coc(-c3ccc(F)cc3)n2)CCCCC1 ZINC000833205734 601554433 /nfs/dbraw/zinc/55/44/33/601554433.db2.gz NEQNVHGRLNTOLT-UHFFFAOYSA-N -1 3 332.375 3.748 20 0 EHADHM Cc1csc([C@H]2CCCN(Cc3ccc(C(=O)[O-])c(F)c3)C2)n1 ZINC000583392635 601625047 /nfs/dbraw/zinc/62/50/47/601625047.db2.gz LRDROVBSONSKMH-ZDUSSCGKSA-N -1 3 334.416 3.668 20 0 EHADHM Cc1sc(C(=O)[O-])cc1CN1CCCO[C@@H](c2ccccc2)C1 ZINC000833033104 601629715 /nfs/dbraw/zinc/62/97/15/601629715.db2.gz VIBJVECSBNJXAF-MRXNPFEDSA-N -1 3 331.437 3.718 20 0 EHADHM CC(C)c1nn(-c2ccccc2)cc1CN[C@H](C(=O)[O-])c1ccccc1 ZINC000827164491 601852483 /nfs/dbraw/zinc/85/24/83/601852483.db2.gz WHUZNHQIQCBXOI-FQEVSTJZSA-N -1 3 349.434 3.911 20 0 EHADHM Cc1cccc(C2(O)CCN(Cc3ccc(C(=O)[O-])s3)CC2)c1C ZINC000832965702 601960064 /nfs/dbraw/zinc/96/00/64/601960064.db2.gz NJIIQVAQQPNRRN-UHFFFAOYSA-N -1 3 345.464 3.547 20 0 EHADHM COc1ccccc1C(C)(C)NCc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000832588831 602387795 /nfs/dbraw/zinc/38/77/95/602387795.db2.gz IWGVDGNBBOWVAS-AWEZNQCLSA-N -1 3 343.423 3.572 20 0 EHADHM Cc1ccc(-c2nc(CNC[C@H]3CCCN(C(=O)[O-])C3)cs2)cc1 ZINC000740092619 602876469 /nfs/dbraw/zinc/87/64/69/602876469.db2.gz NQJORHALNDMPKC-CQSZACIVSA-N -1 3 345.468 3.598 20 0 EHADHM Cc1ccc(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)c(CN(C)C)c1 ZINC000830390828 602934705 /nfs/dbraw/zinc/93/47/05/602934705.db2.gz WZGNRJCYCFZDDM-UHFFFAOYSA-N -1 3 341.411 3.707 20 0 EHADHM CN(C)Cc1ccc(-c2noc(-c3cccc(NC(=O)[O-])c3)n2)cc1 ZINC000828042706 603637307 /nfs/dbraw/zinc/63/73/07/603637307.db2.gz NLTZNUVWQBATIO-UHFFFAOYSA-N -1 3 338.367 3.555 20 0 EHADHM c1sc(COc2ccccc2)nc1-c1cccc(-c2nnn[n-]2)c1 ZINC000826522923 607645462 /nfs/dbraw/zinc/64/54/62/607645462.db2.gz TZODWUCRYPLOFK-UHFFFAOYSA-N -1 3 335.392 3.569 20 0 EHADHM c1sc(COc2ccccc2)nc1-c1cccc(-c2nn[n-]n2)c1 ZINC000826522923 607645464 /nfs/dbraw/zinc/64/54/64/607645464.db2.gz TZODWUCRYPLOFK-UHFFFAOYSA-N -1 3 335.392 3.569 20 0 EHADHM c1cc2cccc(NCCOc3ccc(-c4nn[n-]n4)cc3)c2s1 ZINC000826516765 607688677 /nfs/dbraw/zinc/68/86/77/607688677.db2.gz AEGYULFKKGIFPK-UHFFFAOYSA-N -1 3 337.408 3.572 20 0 EHADHM Cc1cc(Cl)cc2c1OCCC[C@H]2N[C@H]1CCCN(C(=O)[O-])C1 ZINC000832886097 604404897 /nfs/dbraw/zinc/40/48/97/604404897.db2.gz HOLOVOCIHCHPSW-DZGCQCFKSA-N -1 3 338.835 3.594 20 0 EHADHM C[C@H](Oc1ccc(CN2CCCc3sccc3C2)cc1)C(=O)[O-] ZINC000833543646 604636502 /nfs/dbraw/zinc/63/65/02/604636502.db2.gz UJLMTODNVAJABO-ZDUSSCGKSA-N -1 3 331.437 3.548 20 0 EHADHM COc1cccc(CN2CCC(CCC(=O)[O-])CC2)c1OC(C)C ZINC000665342140 604641255 /nfs/dbraw/zinc/64/12/55/604641255.db2.gz RGJXJHODQAHUQG-UHFFFAOYSA-N -1 3 335.444 3.559 20 0 EHADHM C[C@H](Oc1ccc(CN2C[C@@H](C)[C@@H]2c2ccccc2)cc1)C(=O)[O-] ZINC000833537355 604683710 /nfs/dbraw/zinc/68/37/10/604683710.db2.gz INGMLZRYNLZDFK-ZRGWGRIASA-N -1 3 325.408 3.732 20 0 EHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2sccc2Br)C1 ZINC000135037443 604932865 /nfs/dbraw/zinc/93/28/65/604932865.db2.gz DRRMYAPGKIXNGF-JTQLQIEISA-N -1 3 346.290 3.833 20 0 EHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cc(Br)cs2)C1 ZINC000169106732 604936589 /nfs/dbraw/zinc/93/65/89/604936589.db2.gz PWIDDPULFAOIJY-SNVBAGLBSA-N -1 3 346.290 3.833 20 0 EHADHM COc1ccc(C)cc1[C@@H](C)NCc1ccc(CCNC(=O)[O-])cc1 ZINC000829311583 604943508 /nfs/dbraw/zinc/94/35/08/604943508.db2.gz NUOAGBBZXKISNE-OAHLLOKOSA-N -1 3 342.439 3.665 20 0 EHADHM O=C([O-])C[C@@H]1CCCN1Cn1c2ccc(Cl)cc2oc1=S ZINC000833211609 604977124 /nfs/dbraw/zinc/97/71/24/604977124.db2.gz MINXOSSFCLUTEG-JTQLQIEISA-N -1 3 326.805 3.514 20 0 EHADHM Cc1ccc(-c2nc(CN[C@]3(C)CCCC[C@@H]3C(=O)[O-])cs2)o1 ZINC000833746436 605062385 /nfs/dbraw/zinc/06/23/85/605062385.db2.gz GQKQYWSHNXVVOP-CXAGYDPISA-N -1 3 334.441 3.835 20 0 EHADHM C[C@]1(NCc2c(F)c(F)c(F)c(F)c2F)CCCC[C@H]1C(=O)[O-] ZINC000833573454 605065724 /nfs/dbraw/zinc/06/57/24/605065724.db2.gz XMRSRNQTNGRZFN-AYVTZFPOSA-N -1 3 337.288 3.505 20 0 EHADHM C[C@H](Oc1ccc(CNC2(c3ccc(Cl)cc3)CC2)cc1)C(=O)[O-] ZINC000833541724 605094249 /nfs/dbraw/zinc/09/42/49/605094249.db2.gz SLPNAUCHGCTJAI-ZDUSSCGKSA-N -1 3 345.826 3.971 20 0 EHADHM C[C@@H](Oc1ccc(CNC(C)(C)c2ccc(F)c(F)c2)cc1)C(=O)[O-] ZINC000833540945 605115422 /nfs/dbraw/zinc/11/54/22/605115422.db2.gz OFVZUTZPZLVXBI-GFCCVEGCSA-N -1 3 349.377 3.842 20 0 EHADHM O=C([O-])N[C@@H]1C[C@@H](N[C@H]2CCc3c2cccc3F)c2ccccc21 ZINC000834158217 605797478 /nfs/dbraw/zinc/79/74/78/605797478.db2.gz KPYMDTBJQVFOLG-RCCFBDPRSA-N -1 3 326.371 3.856 20 0 EHADHM C[C@@H]1C[C@H]1c1ccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)o1 ZINC000820675132 606050169 /nfs/dbraw/zinc/05/01/69/606050169.db2.gz HZBVUDUMUZTVFA-BXUZGUMPSA-N -1 3 346.394 3.743 20 0 EHADHM C[C@@H]1C[C@H]1c1ccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)o1 ZINC000820675132 606050175 /nfs/dbraw/zinc/05/01/75/606050175.db2.gz HZBVUDUMUZTVFA-BXUZGUMPSA-N -1 3 346.394 3.743 20 0 EHADHM CC(C)CCc1nc(CNc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000820081521 606155696 /nfs/dbraw/zinc/15/56/96/606155696.db2.gz KCJJPPBHTMBQEU-UHFFFAOYSA-N -1 3 328.445 3.524 20 0 EHADHM CC(C)CCc1nc(CNc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000820081521 606155698 /nfs/dbraw/zinc/15/56/98/606155698.db2.gz KCJJPPBHTMBQEU-UHFFFAOYSA-N -1 3 328.445 3.524 20 0 EHADHM Cc1cc(Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)ncn1 ZINC000822211510 606242183 /nfs/dbraw/zinc/24/21/83/606242183.db2.gz BTDBRQKDOQPQEL-UHFFFAOYSA-N -1 3 346.350 3.550 20 0 EHADHM Cc1cc(Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)ncn1 ZINC000822211510 606242185 /nfs/dbraw/zinc/24/21/85/606242185.db2.gz BTDBRQKDOQPQEL-UHFFFAOYSA-N -1 3 346.350 3.550 20 0 EHADHM CC(=O)[C@H](C)SCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000819782942 606332079 /nfs/dbraw/zinc/33/20/79/606332079.db2.gz RHPMSOZUQWIUTA-ZDUSSCGKSA-N -1 3 338.436 3.744 20 0 EHADHM CC(=O)[C@H](C)SCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000819782942 606332080 /nfs/dbraw/zinc/33/20/80/606332080.db2.gz RHPMSOZUQWIUTA-ZDUSSCGKSA-N -1 3 338.436 3.744 20 0 EHADHM Clc1ccc2oc(C=Cc3ccc(-c4nnn[n-]4)s3)nc2c1 ZINC000822581394 606388987 /nfs/dbraw/zinc/38/89/87/606388987.db2.gz HCROMRADRVCUCS-ZZXKWVIFSA-N -1 3 329.772 3.893 20 0 EHADHM c1cnc(Nc2ccc(NCC3CCCC3)cc2)c(-c2nnn[n-]2)c1 ZINC000823808643 606431543 /nfs/dbraw/zinc/43/15/43/606431543.db2.gz CKTGYRFOUQFQKY-UHFFFAOYSA-N -1 3 335.415 3.607 20 0 EHADHM c1cnc(Nc2ccc(NCC3CCCC3)cc2)c(-c2nn[n-]n2)c1 ZINC000823808643 606431544 /nfs/dbraw/zinc/43/15/44/606431544.db2.gz CKTGYRFOUQFQKY-UHFFFAOYSA-N -1 3 335.415 3.607 20 0 EHADHM CC(C)COc1cccc(NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000820103448 606448030 /nfs/dbraw/zinc/44/80/30/606448030.db2.gz ZZSUSZWTHIFCCW-UHFFFAOYSA-N -1 3 341.390 3.653 20 0 EHADHM CC(C)COc1cccc(NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000820103448 606448031 /nfs/dbraw/zinc/44/80/31/606448031.db2.gz ZZSUSZWTHIFCCW-UHFFFAOYSA-N -1 3 341.390 3.653 20 0 EHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1cccc(F)c1F ZINC000820155315 606449833 /nfs/dbraw/zinc/44/98/33/606449833.db2.gz OBOQTDICGSJXOO-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1cccc(F)c1F ZINC000820155315 606449835 /nfs/dbraw/zinc/44/98/35/606449835.db2.gz OBOQTDICGSJXOO-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM CC(C)Oc1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)c(F)c1 ZINC000820173578 606453528 /nfs/dbraw/zinc/45/35/28/606453528.db2.gz ISUCMEPHLFWNON-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM CC(C)Oc1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)c(F)c1 ZINC000820173578 606453529 /nfs/dbraw/zinc/45/35/29/606453529.db2.gz ISUCMEPHLFWNON-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM Clc1cccc(-c2nnn[n-]2)c1N1CCC[C@@H]1c1ccsc1 ZINC000822582044 606455611 /nfs/dbraw/zinc/45/56/11/606455611.db2.gz OWYCHIYYQGNQNI-CYBMUJFWSA-N -1 3 331.832 3.923 20 0 EHADHM Clc1cccc(-c2nn[n-]n2)c1N1CCC[C@@H]1c1ccsc1 ZINC000822582044 606455612 /nfs/dbraw/zinc/45/56/12/606455612.db2.gz OWYCHIYYQGNQNI-CYBMUJFWSA-N -1 3 331.832 3.923 20 0 EHADHM FC(F)(F)Cc1ccccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000822718870 606463092 /nfs/dbraw/zinc/46/30/92/606463092.db2.gz SLIMQZRRNZQEKM-UHFFFAOYSA-N -1 3 333.317 3.584 20 0 EHADHM FC(F)(F)Cc1ccccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000822718870 606463094 /nfs/dbraw/zinc/46/30/94/606463094.db2.gz SLIMQZRRNZQEKM-UHFFFAOYSA-N -1 3 333.317 3.584 20 0 EHADHM O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823299043 606477766 /nfs/dbraw/zinc/47/77/66/606477766.db2.gz DXEQIGXLOKSNFW-UHFFFAOYSA-N -1 3 347.403 3.848 20 0 EHADHM O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823299043 606477767 /nfs/dbraw/zinc/47/77/67/606477767.db2.gz DXEQIGXLOKSNFW-UHFFFAOYSA-N -1 3 347.403 3.848 20 0 EHADHM CC[C@@H](c1ccccc1)N(CC)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820937777 606491804 /nfs/dbraw/zinc/49/18/04/606491804.db2.gz CWFMPQLZDVNGJA-AWEZNQCLSA-N -1 3 341.440 3.542 20 0 EHADHM CC[C@@H](c1ccccc1)N(CC)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820937777 606491805 /nfs/dbraw/zinc/49/18/05/606491805.db2.gz CWFMPQLZDVNGJA-AWEZNQCLSA-N -1 3 341.440 3.542 20 0 EHADHM Cc1ccc(F)cc1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822240851 606597333 /nfs/dbraw/zinc/59/73/33/606597333.db2.gz BEZBGVKPTIDQSP-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM Cc1ccc(F)cc1NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822240851 606597335 /nfs/dbraw/zinc/59/73/35/606597335.db2.gz BEZBGVKPTIDQSP-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM Cc1cc(CCCC(=O)Nc2ccccc2-c2nnn[n-]2)c(C)s1 ZINC000822199785 606601002 /nfs/dbraw/zinc/60/10/02/606601002.db2.gz HPTYKEWSYWERJK-UHFFFAOYSA-N -1 3 341.440 3.506 20 0 EHADHM Cc1cc(CCCC(=O)Nc2ccccc2-c2nn[n-]n2)c(C)s1 ZINC000822199785 606601004 /nfs/dbraw/zinc/60/10/04/606601004.db2.gz HPTYKEWSYWERJK-UHFFFAOYSA-N -1 3 341.440 3.506 20 0 EHADHM CC1(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)CCC1 ZINC000820578268 606628021 /nfs/dbraw/zinc/62/80/21/606628021.db2.gz ZZMITQGDMSWMTA-UHFFFAOYSA-N -1 3 349.394 3.788 20 0 EHADHM CC1(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)CCC1 ZINC000820578268 606628022 /nfs/dbraw/zinc/62/80/22/606628022.db2.gz ZZMITQGDMSWMTA-UHFFFAOYSA-N -1 3 349.394 3.788 20 0 EHADHM CC(C)(C)Oc1ccccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819949867 606928699 /nfs/dbraw/zinc/92/86/99/606928699.db2.gz AICFLYFGJYJFMV-UHFFFAOYSA-N -1 3 341.390 3.795 20 0 EHADHM CC(C)(C)Oc1ccccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819949867 606928700 /nfs/dbraw/zinc/92/87/00/606928700.db2.gz AICFLYFGJYJFMV-UHFFFAOYSA-N -1 3 341.390 3.795 20 0 EHADHM COc1ccc(C)cc1CSc1ncc(-c2nnn[n-]2)cc1Cl ZINC000821783194 606946925 /nfs/dbraw/zinc/94/69/25/606946925.db2.gz ZJOPYFIGAGPNPE-UHFFFAOYSA-N -1 3 347.831 3.524 20 0 EHADHM COc1ccc(C)cc1CSc1ncc(-c2nn[n-]n2)cc1Cl ZINC000821783194 606946927 /nfs/dbraw/zinc/94/69/27/606946927.db2.gz ZJOPYFIGAGPNPE-UHFFFAOYSA-N -1 3 347.831 3.524 20 0 EHADHM CCc1ccccc1NC(=S)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821496983 607251875 /nfs/dbraw/zinc/25/18/75/607251875.db2.gz NKCGVSOYAOEYJX-UHFFFAOYSA-N -1 3 338.440 3.546 20 0 EHADHM CCc1ccccc1NC(=S)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821496983 607251876 /nfs/dbraw/zinc/25/18/76/607251876.db2.gz NKCGVSOYAOEYJX-UHFFFAOYSA-N -1 3 338.440 3.546 20 0 EHADHM Cc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826288940 607793174 /nfs/dbraw/zinc/79/31/74/607793174.db2.gz CQSWESNZNCTBDO-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826288940 607793175 /nfs/dbraw/zinc/79/31/75/607793175.db2.gz CQSWESNZNCTBDO-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1ccccc1[C@@H](O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826306153 607843021 /nfs/dbraw/zinc/84/30/21/607843021.db2.gz RKPFMHLFTKVATC-AWEZNQCLSA-N -1 3 346.843 3.654 20 0 EHADHM Cc1ccccc1[C@@H](O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826306153 607843022 /nfs/dbraw/zinc/84/30/22/607843022.db2.gz RKPFMHLFTKVATC-AWEZNQCLSA-N -1 3 346.843 3.654 20 0 EHADHM Fc1ccc2oc(C(Cl)=Cc3ccccc3-c3nnn[n-]3)nc2c1 ZINC000826376002 607885484 /nfs/dbraw/zinc/88/54/84/607885484.db2.gz KMROUEPLMMBZFU-GHXNOFRVSA-N -1 3 341.733 3.884 20 0 EHADHM Fc1ccc2oc(C(Cl)=Cc3ccccc3-c3nn[n-]n3)nc2c1 ZINC000826376002 607885485 /nfs/dbraw/zinc/88/54/85/607885485.db2.gz KMROUEPLMMBZFU-GHXNOFRVSA-N -1 3 341.733 3.884 20 0 EHADHM CC1(C)CCC[C@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)C1 ZINC000824801085 607920383 /nfs/dbraw/zinc/92/03/83/607920383.db2.gz AHRLBMJSFZUUPV-JTQLQIEISA-N -1 3 345.472 3.572 20 0 EHADHM CC1(C)CCC[C@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)C1 ZINC000824801085 607920384 /nfs/dbraw/zinc/92/03/84/607920384.db2.gz AHRLBMJSFZUUPV-JTQLQIEISA-N -1 3 345.472 3.572 20 0 EHADHM Cc1sc(NC(=O)[C@H]2CCCC(C)(C)C2)c(-c2nnn[n-]2)c1C ZINC000826349541 607921679 /nfs/dbraw/zinc/92/16/79/607921679.db2.gz LJSBWVURKJSQKZ-NSHDSACASA-N -1 3 333.461 3.700 20 0 EHADHM Cc1sc(NC(=O)[C@H]2CCCC(C)(C)C2)c(-c2nn[n-]n2)c1C ZINC000826349541 607921680 /nfs/dbraw/zinc/92/16/80/607921680.db2.gz LJSBWVURKJSQKZ-NSHDSACASA-N -1 3 333.461 3.700 20 0 EHADHM COCC[C@@H](Sc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826155461 608198263 /nfs/dbraw/zinc/19/82/63/608198263.db2.gz QVUXDVAXFJOYJI-MRXNPFEDSA-N -1 3 326.425 3.737 20 0 EHADHM COCC[C@@H](Sc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826155461 608198265 /nfs/dbraw/zinc/19/82/65/608198265.db2.gz QVUXDVAXFJOYJI-MRXNPFEDSA-N -1 3 326.425 3.737 20 0 EHADHM Fc1ccc2c(c1)CC[C@@H]2Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826376181 608223483 /nfs/dbraw/zinc/22/34/83/608223483.db2.gz RWJVITCQHNYOQI-KRWDZBQOSA-N -1 3 346.369 3.653 20 0 EHADHM Fc1ccc2c(c1)CC[C@@H]2Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826376181 608223486 /nfs/dbraw/zinc/22/34/86/608223486.db2.gz RWJVITCQHNYOQI-KRWDZBQOSA-N -1 3 346.369 3.653 20 0 EHADHM c1ccc2c(c1)SC[C@H]2Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826524206 608229443 /nfs/dbraw/zinc/22/94/43/608229443.db2.gz MOELECDDVUYPMS-OAHLLOKOSA-N -1 3 346.419 3.674 20 0 EHADHM c1ccc2c(c1)SC[C@H]2Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826524206 608229445 /nfs/dbraw/zinc/22/94/45/608229445.db2.gz MOELECDDVUYPMS-OAHLLOKOSA-N -1 3 346.419 3.674 20 0 EHADHM C[C@@H](OC(=O)[C@H](c1ccccc1)C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824712564 608247990 /nfs/dbraw/zinc/24/79/90/608247990.db2.gz BALONXRFPPHMLY-FZKQIMNGSA-N -1 3 348.406 3.665 20 0 EHADHM C[C@@H](OC(=O)[C@H](c1ccccc1)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824712564 608247992 /nfs/dbraw/zinc/24/79/92/608247992.db2.gz BALONXRFPPHMLY-FZKQIMNGSA-N -1 3 348.406 3.665 20 0 EHADHM C[C@H](c1ccccc1Cl)N(Cc1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC000824770094 608518323 /nfs/dbraw/zinc/51/83/23/608518323.db2.gz DPSFOBPARXFUQJ-LLVKDONJSA-N -1 3 343.818 3.839 20 0 EHADHM C[C@H](c1ccccc1Cl)N(Cc1ccc(-c2nn[n-]n2)o1)C1CC1 ZINC000824770094 608518325 /nfs/dbraw/zinc/51/83/25/608518325.db2.gz DPSFOBPARXFUQJ-LLVKDONJSA-N -1 3 343.818 3.839 20 0 EHADHM CC(C)CCCSCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000824243529 609182088 /nfs/dbraw/zinc/18/20/88/609182088.db2.gz ILYASPRSLZZJDB-UHFFFAOYSA-N -1 3 344.444 3.586 20 0 EHADHM CC(C)CCCSCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000824243529 609182090 /nfs/dbraw/zinc/18/20/90/609182090.db2.gz ILYASPRSLZZJDB-UHFFFAOYSA-N -1 3 344.444 3.586 20 0 EHADHM Cc1cc(N(C)C)ccc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826269064 609346736 /nfs/dbraw/zinc/34/67/36/609346736.db2.gz ZBBVRTXBEQMTDL-GFCCVEGCSA-N -1 3 340.406 3.553 20 0 EHADHM Cc1cc(N(C)C)ccc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826269064 609346738 /nfs/dbraw/zinc/34/67/38/609346738.db2.gz ZBBVRTXBEQMTDL-GFCCVEGCSA-N -1 3 340.406 3.553 20 0 EHADHM CCCOc1ccccc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825342896 609347828 /nfs/dbraw/zinc/34/78/28/609347828.db2.gz XUTJIOXIKJAGSI-LBPRGKRZSA-N -1 3 341.390 3.968 20 0 EHADHM CCCOc1ccccc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825342896 609347829 /nfs/dbraw/zinc/34/78/29/609347829.db2.gz XUTJIOXIKJAGSI-LBPRGKRZSA-N -1 3 341.390 3.968 20 0 EHADHM CCc1c(C)sc(NC(=O)[C@H]2CCC(C)(C)C2)c1-c1nnn[n-]1 ZINC000825687935 609383233 /nfs/dbraw/zinc/38/32/33/609383233.db2.gz OLNOPUMUFUKYMS-JTQLQIEISA-N -1 3 333.461 3.564 20 0 EHADHM CCc1c(C)sc(NC(=O)[C@H]2CCC(C)(C)C2)c1-c1nn[n-]n1 ZINC000825687935 609383235 /nfs/dbraw/zinc/38/32/35/609383235.db2.gz OLNOPUMUFUKYMS-JTQLQIEISA-N -1 3 333.461 3.564 20 0 EHADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1coc2ccccc12 ZINC000825631465 609476625 /nfs/dbraw/zinc/47/66/25/609476625.db2.gz ASOHNXPASHAACT-UHFFFAOYSA-N -1 3 335.367 3.624 20 0 EHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1coc2ccccc12 ZINC000825631465 609476628 /nfs/dbraw/zinc/47/66/28/609476628.db2.gz ASOHNXPASHAACT-UHFFFAOYSA-N -1 3 335.367 3.624 20 0 EHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1cccc2cc[nH]c21 ZINC000824324241 609477914 /nfs/dbraw/zinc/47/79/14/609477914.db2.gz JTUTWMIUVIIGQW-UHFFFAOYSA-N -1 3 348.410 3.747 20 0 EHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1cccc2cc[nH]c21 ZINC000824324241 609477915 /nfs/dbraw/zinc/47/79/15/609477915.db2.gz JTUTWMIUVIIGQW-UHFFFAOYSA-N -1 3 348.410 3.747 20 0 EHADHM Cc1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)nn1[C@H](C)C1CC1 ZINC000826270674 609508601 /nfs/dbraw/zinc/50/86/01/609508601.db2.gz KGRSEEKMSCMWRF-QWHCGFSZSA-N -1 3 337.431 3.516 20 0 EHADHM Cc1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)nn1[C@H](C)C1CC1 ZINC000826270674 609508604 /nfs/dbraw/zinc/50/86/04/609508604.db2.gz KGRSEEKMSCMWRF-QWHCGFSZSA-N -1 3 337.431 3.516 20 0 EHADHM Cc1sc(NC(=O)C2C[C@H](C)C[C@@H](C)C2)c(-c2nnn[n-]2)c1C ZINC000826349567 609509314 /nfs/dbraw/zinc/50/93/14/609509314.db2.gz MNOZVWHZIIEYTN-RKDXNWHRSA-N -1 3 333.461 3.556 20 0 EHADHM Cc1sc(NC(=O)C2C[C@H](C)C[C@@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000826349567 609509317 /nfs/dbraw/zinc/50/93/17/609509317.db2.gz MNOZVWHZIIEYTN-RKDXNWHRSA-N -1 3 333.461 3.556 20 0 EHADHM COCc1ccc(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821695737 945831349 /nfs/dbraw/zinc/83/13/49/945831349.db2.gz GKVLKQCTYAALOE-GFCCVEGCSA-N -1 3 326.425 3.866 20 0 EHADHM COCc1ccc(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821695737 945831363 /nfs/dbraw/zinc/83/13/63/945831363.db2.gz GKVLKQCTYAALOE-GFCCVEGCSA-N -1 3 326.425 3.866 20 0 EHADHM CC(C)Oc1cc(F)ccc1N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000824319339 946656355 /nfs/dbraw/zinc/65/63/55/946656355.db2.gz MPMNPFUPJQZWIK-LBPRGKRZSA-N -1 3 341.390 3.966 20 0 EHADHM CC(C)Oc1cc(F)ccc1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000824319339 946656366 /nfs/dbraw/zinc/65/63/66/946656366.db2.gz MPMNPFUPJQZWIK-LBPRGKRZSA-N -1 3 341.390 3.966 20 0 EHADHM C[C@@H](Nc1ccc(OC(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824657983 946886774 /nfs/dbraw/zinc/88/67/74/946886774.db2.gz TWQBHUNIIAQWAS-SECBINFHSA-N -1 3 349.316 3.780 20 0 EHADHM C[C@@H](Nc1ccc(OC(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824657983 946886776 /nfs/dbraw/zinc/88/67/76/946886776.db2.gz TWQBHUNIIAQWAS-SECBINFHSA-N -1 3 349.316 3.780 20 0 EHADHM CC(C)c1ccccc1NC(=O)CN1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000327022952 971357754 /nfs/dbraw/zinc/35/77/54/971357754.db2.gz GUDWXOKSEVIIEZ-HNNXBMFYSA-N -1 3 346.471 3.571 20 0 EHADHM CC(=CC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC001573361630 947694458 /nfs/dbraw/zinc/69/44/58/947694458.db2.gz CZJQGDOHBBCEJM-HCRIHEDKSA-N -1 3 340.408 3.636 20 0 EHADHM CC(=CC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC001573361630 947694463 /nfs/dbraw/zinc/69/44/63/947694463.db2.gz CZJQGDOHBBCEJM-HCRIHEDKSA-N -1 3 340.408 3.636 20 0 EHADHM CC[C@]1(C(=O)[O-])CCCN(Cc2cc(Br)cs2)C1 ZINC000062877218 948963466 /nfs/dbraw/zinc/96/34/66/948963466.db2.gz IQRRITSDWJROMS-ZDUSSCGKSA-N -1 3 332.263 3.587 20 0 EHADHM O=C([O-])c1cccc(CN[C@H]2c3ccccc3CC[C@H]2n2ccnc2)c1 ZINC001595244966 949511023 /nfs/dbraw/zinc/51/10/23/949511023.db2.gz JKCPOOFLPIKOKF-UXHICEINSA-N -1 3 347.418 3.600 20 0 EHADHM C[C@@H]1CCCC[C@H]1C(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001576168803 949649489 /nfs/dbraw/zinc/64/94/89/949649489.db2.gz GVCJIHISMPFWSX-GHMZBOCLSA-N -1 3 347.488 3.991 20 0 EHADHM C[C@@H]1CCCC[C@H]1C(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001576168803 949649496 /nfs/dbraw/zinc/64/94/96/949649496.db2.gz GVCJIHISMPFWSX-GHMZBOCLSA-N -1 3 347.488 3.991 20 0 EHADHM CN(CCC(=O)[O-])Cc1cn(-c2ccccc2Cl)nc1C(C)(C)C ZINC000263417564 950453029 /nfs/dbraw/zinc/45/30/29/950453029.db2.gz NUQFMLXILOLEBK-UHFFFAOYSA-N -1 3 349.862 3.730 20 0 EHADHM C[C@@H](CC(=O)Nc1cc2ccccc2cc1-c1nnn[n-]1)c1ccco1 ZINC001574519142 950668007 /nfs/dbraw/zinc/66/80/07/950668007.db2.gz BQKGEQYGHWMRJK-LBPRGKRZSA-N -1 3 347.378 3.745 20 0 EHADHM C[C@@H](CC(=O)Nc1cc2ccccc2cc1-c1nn[n-]n1)c1ccco1 ZINC001574519142 950668022 /nfs/dbraw/zinc/66/80/22/950668022.db2.gz BQKGEQYGHWMRJK-LBPRGKRZSA-N -1 3 347.378 3.745 20 0 EHADHM CC(C)(C)Oc1ccccc1NCc1csc(-c2nnn[n-]2)c1 ZINC001573876501 950675710 /nfs/dbraw/zinc/67/57/10/950675710.db2.gz OFTIRSMLMONPEW-UHFFFAOYSA-N -1 3 329.429 3.718 20 0 EHADHM CC(C)(C)c1csc(NC(=O)C(F)=C2CCC2)c1-c1nnn[n-]1 ZINC001573884737 950808464 /nfs/dbraw/zinc/80/84/64/950808464.db2.gz OEOKNBXAFYOPLW-UHFFFAOYSA-N -1 3 335.408 3.572 20 0 EHADHM CC(C)(C)c1csc(NC(=O)C(F)=C2CCC2)c1-c1nn[n-]n1 ZINC001573884737 950808484 /nfs/dbraw/zinc/80/84/84/950808484.db2.gz OEOKNBXAFYOPLW-UHFFFAOYSA-N -1 3 335.408 3.572 20 0 EHADHM CC1(C)C[C@@]1(CNc1cc(F)ccc1-c1nnn[n-]1)c1ccccc1 ZINC001575643186 950966791 /nfs/dbraw/zinc/96/67/91/950966791.db2.gz ZKVRPPQPHQBVGH-LJQANCHMSA-N -1 3 337.402 3.786 20 0 EHADHM CC1(C)C[C@@]1(CNc1cc(F)ccc1-c1nn[n-]n1)c1ccccc1 ZINC001575643186 950966804 /nfs/dbraw/zinc/96/68/04/950966804.db2.gz ZKVRPPQPHQBVGH-LJQANCHMSA-N -1 3 337.402 3.786 20 0 EHADHM COc1ccc(C2(NCc3cccc([O-])c3Br)CC2)cc1 ZINC000459396400 1032061825 /nfs/dbraw/zinc/06/18/25/1032061825.db2.gz CNDMMVLWKIOWIQ-UHFFFAOYSA-N -1 3 348.240 3.942 20 0 EHADHM O=C([O-])c1csc(CNCc2ccc(Br)s2)c1 ZINC000095005074 958328721 /nfs/dbraw/zinc/32/87/21/958328721.db2.gz STRNLJFIYIEHIR-UHFFFAOYSA-N -1 3 332.244 3.560 20 0 EHADHM CCN(Cc1ccc(OCC(=O)[O-])cc1)Cc1cccc(Cl)c1 ZINC001138930049 960498925 /nfs/dbraw/zinc/49/89/25/960498925.db2.gz IFPYRSILAPLNSH-UHFFFAOYSA-N -1 3 333.815 3.826 20 0 EHADHM Cc1ccc(Br)cc1CNCc1cccc(C(=O)[O-])c1 ZINC000258913539 961369903 /nfs/dbraw/zinc/36/99/03/961369903.db2.gz POVOHQFSWORNAJ-UHFFFAOYSA-N -1 3 334.213 3.746 20 0 EHADHM CCc1ccc(-c2noc([C@@H](C)NC3CCC(C(=O)[O-])CC3)n2)cc1 ZINC000263388735 967886186 /nfs/dbraw/zinc/88/61/86/967886186.db2.gz DRGDTVKWSCYJJV-UWTIGNOOSA-N -1 3 343.427 3.593 20 0 EHADHM CSCc1ccc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC001604958409 972538779 /nfs/dbraw/zinc/53/87/79/972538779.db2.gz NMPCGBQMFXYJMO-SFHVURJKSA-N -1 3 327.449 3.734 20 0 EHADHM Cc1ccc(-c2csc(CN3C[C@H](C)C[C@H](C(=O)[O-])C3)n2)cc1 ZINC001605232253 972985136 /nfs/dbraw/zinc/98/51/36/972985136.db2.gz ZDPBOYRRVMWPEI-HIFRSBDPSA-N -1 3 330.453 3.661 20 0 EHADHM CCc1nc([C@H](C)NCc2cc(=O)[n-]c(-c3ccccc3)n2)cs1 ZINC000459412885 1032082321 /nfs/dbraw/zinc/08/23/21/1032082321.db2.gz WGDPGIJCAUEKOT-LBPRGKRZSA-N -1 3 340.452 3.719 20 0 EHADHM O=C([O-])c1ccc(Cl)c(CN2CCC3(CCC(O)CC3)CC2)c1 ZINC000565315503 974579961 /nfs/dbraw/zinc/57/99/61/974579961.db2.gz RTDLBAKFHRGIIL-UHFFFAOYSA-N -1 3 337.847 3.555 20 0 EHADHM Cc1oc(C(=O)[O-])cc1CN1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000629365431 975084623 /nfs/dbraw/zinc/08/46/23/975084623.db2.gz WVNULNJZJLLRQE-CYBMUJFWSA-N -1 3 335.350 3.944 20 0 EHADHM Cc1cccc(C[C@@]2(C)CCCN2Cc2nc(C(=O)[O-])cs2)c1 ZINC000634697852 975275598 /nfs/dbraw/zinc/27/55/98/975275598.db2.gz UIVVUIBEWMNULS-GOSISDBHSA-N -1 3 330.453 3.747 20 0 EHADHM CCc1nnc([N-]C(=O)c2csc(Cc3cccc(F)c3)n2)s1 ZINC000182340780 1032088958 /nfs/dbraw/zinc/08/89/58/1032088958.db2.gz UEQXDJXZVHCQTF-UHFFFAOYSA-N -1 3 348.428 3.539 20 0 EHADHM CC(C)O[C@H]1CCCN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC001591696726 975538530 /nfs/dbraw/zinc/53/85/30/975538530.db2.gz WTGXSYCDDXVNBC-WFASDCNBSA-N -1 3 345.361 3.721 20 0 EHADHM CC(C)Oc1ccc(CN[C@@](C)(C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001591775146 975915979 /nfs/dbraw/zinc/91/59/79/975915979.db2.gz IAUKXGYWXIXWKC-LJQANCHMSA-N -1 3 331.387 3.703 20 0 EHADHM O=C([O-])[C@H](NCc1cccc(F)c1)c1cccc(Br)c1 ZINC000683174519 976079750 /nfs/dbraw/zinc/07/97/50/976079750.db2.gz OWAWXEYNXFRKHU-CQSZACIVSA-N -1 3 338.176 3.504 20 0 EHADHM C[C@@H](CN(Cc1cccc(Br)c1Cl)C1CC1)C(=O)[O-] ZINC001592598684 978532084 /nfs/dbraw/zinc/53/20/84/978532084.db2.gz JLRKLJCLWCBCCL-VIFPVBQESA-N -1 3 346.652 3.788 20 0 EHADHM CC(C)(CCN1CCSC[C@@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC000859788315 979631168 /nfs/dbraw/zinc/63/11/68/979631168.db2.gz FINLEPDUDKGWNF-CQSZACIVSA-N -1 3 327.877 3.931 20 0 EHADHM C[C@@H]1[C@H](C)SCCN1Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000859787825 979631254 /nfs/dbraw/zinc/63/12/54/979631254.db2.gz PDGJRKHPUGBFCA-OLZOCXBDSA-N -1 3 331.437 3.971 20 0 EHADHM CO[C@H]1CN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC[C@H]1C ZINC000859797750 979633582 /nfs/dbraw/zinc/63/35/82/979633582.db2.gz NRJNVUBWZZHGAE-ACJLOTCBSA-N -1 3 329.396 3.502 20 0 EHADHM CC(F)(F)c1ccc(CNCc2ccc(OCC(=O)[O-])cc2)cc1 ZINC001592944024 980018254 /nfs/dbraw/zinc/01/82/54/980018254.db2.gz GIHFGBVOILALMF-UHFFFAOYSA-N -1 3 335.350 3.552 20 0 EHADHM Cc1c(Cl)ccc(CN[C@H](Cc2cncs2)C(=O)[O-])c1Cl ZINC000900045310 980239847 /nfs/dbraw/zinc/23/98/47/980239847.db2.gz FOFGMIDJDHPNTG-GFCCVEGCSA-N -1 3 345.251 3.544 20 0 EHADHM CC[C@](NCc1ccc(C)nc1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595300198 980434209 /nfs/dbraw/zinc/43/42/09/980434209.db2.gz OIOIDPNAONQFAN-GOSISDBHSA-N -1 3 332.831 3.832 20 0 EHADHM O=C([O-])[C@@H](CC(F)(F)F)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000901777964 980508561 /nfs/dbraw/zinc/50/85/61/980508561.db2.gz CEDQXFIUKQCMRF-SECBINFHSA-N -1 3 349.658 3.854 20 0 EHADHM Cc1ccc(-c2ncc(CN[C@@H](CC(F)(F)F)C(=O)[O-])s2)cc1 ZINC000901780720 980511845 /nfs/dbraw/zinc/51/18/45/980511845.db2.gz SWQHKLJKCFPSCM-LBPRGKRZSA-N -1 3 344.358 3.614 20 0 EHADHM CCc1cccc2cc(CN3CC[C@](C(=O)[O-])(C(F)(F)F)C3)oc21 ZINC000901788595 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CCc1ccc(-c2nc(Cc3ccc(OC)c(OC)c3)no2)c([O-])c1 ZINC000189164774 1140324347 /nfs/dbraw/zinc/32/43/47/1140324347.db2.gz WVGBGUVXVAQFSE-UHFFFAOYSA-N -1 3 340.379 3.613 20 0 EHADHM CC(=O)[C@@H](C)SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000267546722 1140801708 /nfs/dbraw/zinc/80/17/08/1140801708.db2.gz BMYRDGVTNOGPFY-SECBINFHSA-N -1 3 334.422 3.868 20 0 EHADHM CO[C@H](C)c1nc(CNC(=O)c2ccc(C(C)C)cc2[O-])cs1 ZINC000267817162 1140838945 /nfs/dbraw/zinc/83/89/45/1140838945.db2.gz GEAPNRZVDYBMRD-LLVKDONJSA-N -1 3 334.441 3.610 20 0 EHADHM C[C@H](NC(=O)NCc1ncccc1[O-])c1ccc(Cl)cc1Cl ZINC000349106488 1141640105 /nfs/dbraw/zinc/64/01/05/1141640105.db2.gz XJKZNGUUGMJWOV-VIFPVBQESA-N -1 3 340.210 3.654 20 0 EHADHM Nc1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000034955886 213002641 /nfs/dbraw/zinc/00/26/41/213002641.db2.gz UKWJVPDBHSFPIW-UHFFFAOYSA-N -1 3 335.187 3.516 20 0 EHADHM CSCCCOc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821970652 599382050 /nfs/dbraw/zinc/38/20/50/599382050.db2.gz 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ZINC000735819492 599069609 /nfs/dbraw/zinc/06/96/09/599069609.db2.gz WRIRFYXNZGZCNO-GDBMZVCRSA-N -1 3 341.459 3.682 20 0 EHADHM Cc1ccc([C@H]2OCCC[C@H]2CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822233559 599108950 /nfs/dbraw/zinc/10/89/50/599108950.db2.gz RGLJLXJKNOIYTH-PKOBYXMFSA-N -1 3 349.438 3.755 20 0 EHADHM Cc1[nH]c2ccccc2c1C(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000737197683 599109904 /nfs/dbraw/zinc/10/99/04/599109904.db2.gz BYGGOJPLKCUWKT-UHFFFAOYSA-N -1 3 349.419 3.631 20 0 EHADHM Cc1[nH]c2ccccc2c1C(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000737197683 599109907 /nfs/dbraw/zinc/10/99/07/599109907.db2.gz BYGGOJPLKCUWKT-UHFFFAOYSA-N -1 3 349.419 3.631 20 0 EHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)/C=C(/C)C(C)(C)C ZINC000821099848 599140904 /nfs/dbraw/zinc/14/09/04/599140904.db2.gz PJRRGAQOOVISRJ-OWBHPGMISA-N -1 3 341.459 3.598 20 0 EHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)/C=C(/C)C(C)(C)C ZINC000821099848 599140906 /nfs/dbraw/zinc/14/09/06/599140906.db2.gz PJRRGAQOOVISRJ-OWBHPGMISA-N -1 3 341.459 3.598 20 0 EHADHM Cc1nc(C)c(CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822431679 599226835 /nfs/dbraw/zinc/22/68/35/599226835.db2.gz FVWQNXOZLJFUEV-SNVBAGLBSA-N -1 3 331.470 3.934 20 0 EHADHM Cc1nc(C)c(CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822431679 599226837 /nfs/dbraw/zinc/22/68/37/599226837.db2.gz FVWQNXOZLJFUEV-SNVBAGLBSA-N -1 3 331.470 3.934 20 0 EHADHM Cc1c(NC(=O)C[C@H]2CCCc3ccccc32)cccc1-c1nnn[n-]1 ZINC000822067930 607267318 /nfs/dbraw/zinc/26/73/18/607267318.db2.gz LKTPWPDSJYEPEP-OAHLLOKOSA-N -1 3 347.422 3.624 20 0 EHADHM Cc1c(NC(=O)C[C@H]2CCCc3ccccc32)cccc1-c1nn[n-]n1 ZINC000822067930 607267319 /nfs/dbraw/zinc/26/73/19/607267319.db2.gz LKTPWPDSJYEPEP-OAHLLOKOSA-N -1 3 347.422 3.624 20 0 EHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@@H](CC1CC1)c1ccccc1 ZINC000823308918 599244893 /nfs/dbraw/zinc/24/48/93/599244893.db2.gz MOUHAGQIGPHWKS-KRWDZBQOSA-N -1 3 348.410 3.530 20 0 EHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@@H](CC1CC1)c1ccccc1 ZINC000823308918 599244894 /nfs/dbraw/zinc/24/48/94/599244894.db2.gz MOUHAGQIGPHWKS-KRWDZBQOSA-N -1 3 348.410 3.530 20 0 EHADHM CCCCCN(C(=O)Nc1cccc(-c2nnn[n-]2)c1C)C(C)C ZINC000821056722 607288823 /nfs/dbraw/zinc/28/88/23/607288823.db2.gz XAYGJRLEWWHNMP-UHFFFAOYSA-N -1 3 330.436 3.608 20 0 EHADHM CCCCCN(C(=O)Nc1cccc(-c2nn[n-]n2)c1C)C(C)C ZINC000821056722 607288824 /nfs/dbraw/zinc/28/88/24/607288824.db2.gz XAYGJRLEWWHNMP-UHFFFAOYSA-N -1 3 330.436 3.608 20 0 EHADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)c1cccc(Cl)c1Cl ZINC000736136160 599267922 /nfs/dbraw/zinc/26/79/22/599267922.db2.gz DLKHUUXMBLMMGV-MRVPVSSYSA-N -1 3 335.198 3.742 20 0 EHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)c1cccc(Cl)c1Cl ZINC000736136160 599267924 /nfs/dbraw/zinc/26/79/24/599267924.db2.gz DLKHUUXMBLMMGV-MRVPVSSYSA-N -1 3 335.198 3.742 20 0 EHADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1coc(-c2ccccc2)n1 ZINC000737222317 599283505 /nfs/dbraw/zinc/28/35/05/599283505.db2.gz XLJNZOOSUPDZAG-UHFFFAOYSA-N -1 3 347.378 3.718 20 0 EHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1cccc(OC(F)F)c1 ZINC000736137265 598237650 /nfs/dbraw/zinc/23/76/50/598237650.db2.gz JHCYDQWWLJWTFP-SECBINFHSA-N -1 3 349.316 3.780 20 0 EHADHM CC(C)(C)Oc1ccc(CNc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735640067 598241110 /nfs/dbraw/zinc/24/11/10/598241110.db2.gz WNMODPOODLUBME-UHFFFAOYSA-N -1 3 341.390 3.795 20 0 EHADHM FC(F)(F)c1cc(NCCc2cccs2)ccc1-c1nnn[n-]1 ZINC000737634211 598276106 /nfs/dbraw/zinc/27/61/06/598276106.db2.gz ZFIFTNHLFKLYQR-UHFFFAOYSA-N -1 3 339.346 3.602 20 0 EHADHM FC(F)(F)c1cc(NCCc2cccs2)ccc1-c1nn[n-]n1 ZINC000737634211 598276107 /nfs/dbraw/zinc/27/61/07/598276107.db2.gz ZFIFTNHLFKLYQR-UHFFFAOYSA-N -1 3 339.346 3.602 20 0 EHADHM CC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC000736400952 598276198 /nfs/dbraw/zinc/27/61/98/598276198.db2.gz FOIUQNPATZEXBH-JTQLQIEISA-N -1 3 325.338 3.512 20 0 EHADHM Clc1cccc(SCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737576510 598294371 /nfs/dbraw/zinc/29/43/71/598294371.db2.gz YBHQSNPEODKILT-UHFFFAOYSA-N -1 3 332.816 3.691 20 0 EHADHM Clc1cccc(SCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737576510 598294372 /nfs/dbraw/zinc/29/43/72/598294372.db2.gz YBHQSNPEODKILT-UHFFFAOYSA-N -1 3 332.816 3.691 20 0 EHADHM C[C@H]1C[C@@H](CC(=O)N(C)c2cccc(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000736224782 598443526 /nfs/dbraw/zinc/44/35/26/598443526.db2.gz APFYRLVVOQDQHL-KBPBESRZSA-N -1 3 341.459 3.682 20 0 EHADHM C[C@H]1C[C@@H](CC(=O)N(C)c2cccc(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000736224782 598443528 /nfs/dbraw/zinc/44/35/28/598443528.db2.gz APFYRLVVOQDQHL-KBPBESRZSA-N -1 3 341.459 3.682 20 0 EHADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCC[C@H](c3ccccc3)CC2)n1 ZINC000737244649 598458791 /nfs/dbraw/zinc/45/87/91/598458791.db2.gz JGMRVHWCQYSIPN-KRWDZBQOSA-N -1 3 348.454 3.653 20 0 EHADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCC[C@H](c3ccccc3)CC2)n1 ZINC000737244649 598458793 /nfs/dbraw/zinc/45/87/93/598458793.db2.gz JGMRVHWCQYSIPN-KRWDZBQOSA-N -1 3 348.454 3.653 20 0 EHADHM CC(C)(C)CCCC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735604689 598487739 /nfs/dbraw/zinc/48/77/39/598487739.db2.gz XHQYYHUKMWWEJA-UHFFFAOYSA-N -1 3 332.452 3.578 20 0 EHADHM CC(C)(C)CCCC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735604689 598487741 /nfs/dbraw/zinc/48/77/41/598487741.db2.gz XHQYYHUKMWWEJA-UHFFFAOYSA-N -1 3 332.452 3.578 20 0 EHADHM C[C@H](CC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735975675 598491309 /nfs/dbraw/zinc/49/13/09/598491309.db2.gz IFYDCUXWSWUQMB-ZIAGYGMSSA-N -1 3 336.395 3.665 20 0 EHADHM C[C@H](CC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735975675 598491311 /nfs/dbraw/zinc/49/13/11/598491311.db2.gz IFYDCUXWSWUQMB-ZIAGYGMSSA-N -1 3 336.395 3.665 20 0 EHADHM CCc1c(C)sc(NC(=O)C2CCCCCC2)c1-c1nnn[n-]1 ZINC000736669795 598515353 /nfs/dbraw/zinc/51/53/53/598515353.db2.gz LCGNZMZDUKAOSE-UHFFFAOYSA-N -1 3 333.461 3.708 20 0 EHADHM CCc1c(C)sc(NC(=O)C2CCCCCC2)c1-c1nn[n-]n1 ZINC000736669795 598515354 /nfs/dbraw/zinc/51/53/54/598515354.db2.gz LCGNZMZDUKAOSE-UHFFFAOYSA-N -1 3 333.461 3.708 20 0 EHADHM Fc1cccc2c1CC[C@@H]2Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737662743 598658117 /nfs/dbraw/zinc/65/81/17/598658117.db2.gz DMKKMZZGOCEGCD-HNNXBMFYSA-N -1 3 329.766 3.759 20 0 EHADHM Fc1cccc2c1CC[C@@H]2Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737662743 598658119 /nfs/dbraw/zinc/65/81/19/598658119.db2.gz DMKKMZZGOCEGCD-HNNXBMFYSA-N -1 3 329.766 3.759 20 0 EHADHM COc1ccc([C@@H](C)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737076934 598666897 /nfs/dbraw/zinc/66/68/97/598666897.db2.gz UHQIUMPUGWBLRE-SNVBAGLBSA-N -1 3 329.791 3.702 20 0 EHADHM COc1ccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737076934 598666899 /nfs/dbraw/zinc/66/68/99/598666899.db2.gz UHQIUMPUGWBLRE-SNVBAGLBSA-N -1 3 329.791 3.702 20 0 EHADHM Fc1ccc(CSCc2cccc(F)c2F)c(-c2nn[n-]n2)c1 ZINC000737649382 598695311 /nfs/dbraw/zinc/69/53/11/598695311.db2.gz NUZDPSCOGHSQIH-UHFFFAOYSA-N -1 3 336.342 3.717 20 0 EHADHM Fc1ccc(CSCc2cccc(F)c2F)c(-c2nnn[n-]2)c1 ZINC000737649382 598695310 /nfs/dbraw/zinc/69/53/10/598695310.db2.gz NUZDPSCOGHSQIH-UHFFFAOYSA-N -1 3 336.342 3.717 20 0 EHADHM CC(C)(C)CCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000735602802 598734399 /nfs/dbraw/zinc/73/43/99/598734399.db2.gz GPWNQYLCAMAPDF-UHFFFAOYSA-N -1 3 333.461 3.572 20 0 EHADHM CC(C)(C)CCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000735602802 598734400 /nfs/dbraw/zinc/73/44/00/598734400.db2.gz GPWNQYLCAMAPDF-UHFFFAOYSA-N -1 3 333.461 3.572 20 0 EHADHM CCC(=CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736303142 598786261 /nfs/dbraw/zinc/78/62/61/598786261.db2.gz IGGCAIFERDGMQS-RHIYTYFCSA-N -1 3 348.406 3.965 20 0 EHADHM CCC(=CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736303142 598786263 /nfs/dbraw/zinc/78/62/63/598786263.db2.gz IGGCAIFERDGMQS-RHIYTYFCSA-N -1 3 348.406 3.965 20 0 EHADHM Clc1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)s1 ZINC000737573077 598793495 /nfs/dbraw/zinc/79/34/95/598793495.db2.gz FCLSYKDZAQJNOR-UHFFFAOYSA-N -1 3 326.212 3.847 20 0 EHADHM Clc1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)s1 ZINC000737573077 598793496 /nfs/dbraw/zinc/79/34/96/598793496.db2.gz FCLSYKDZAQJNOR-UHFFFAOYSA-N -1 3 326.212 3.847 20 0 EHADHM Clc1ccc(N2CCC(c3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC000737578265 598793526 /nfs/dbraw/zinc/79/35/26/598793526.db2.gz ZMJRQCSPVRSGGR-UHFFFAOYSA-N -1 3 339.830 3.904 20 0 EHADHM Clc1ccc(N2CCC(c3ccccc3)CC2)c(-c2nn[n-]n2)c1 ZINC000737578265 598793527 /nfs/dbraw/zinc/79/35/27/598793527.db2.gz ZMJRQCSPVRSGGR-UHFFFAOYSA-N -1 3 339.830 3.904 20 0 EHADHM Fc1ccc(C2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1F ZINC000737647075 598798091 /nfs/dbraw/zinc/79/80/91/598798091.db2.gz BBWIDVXGGJFQPQ-UHFFFAOYSA-N -1 3 341.365 3.529 20 0 EHADHM CCC/C=C/C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736439871 598821181 /nfs/dbraw/zinc/82/11/81/598821181.db2.gz VTOVLVYMNNMJTR-XBXARRHUSA-N -1 3 349.394 3.954 20 0 EHADHM CCC/C=C/C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736439871 598821182 /nfs/dbraw/zinc/82/11/82/598821182.db2.gz VTOVLVYMNNMJTR-XBXARRHUSA-N -1 3 349.394 3.954 20 0 EHADHM CCCCc1noc(CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000736466831 599327055 /nfs/dbraw/zinc/32/70/55/599327055.db2.gz OWKPZTQDSKJQRB-NSHDSACASA-N -1 3 344.444 3.587 20 0 EHADHM CCCCc1noc(CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736466831 599327058 /nfs/dbraw/zinc/32/70/58/599327058.db2.gz OWKPZTQDSKJQRB-NSHDSACASA-N -1 3 344.444 3.587 20 0 EHADHM Cc1ccc(-c2cc(CNc3cc(-c4nnn[n-]4)ccc3C)on2)cc1 ZINC000737289093 599328545 /nfs/dbraw/zinc/32/85/45/599328545.db2.gz SLLWJFOYXMANMO-UHFFFAOYSA-N -1 3 346.394 3.751 20 0 EHADHM Cc1ccc(-c2cc(CNc3cc(-c4nn[n-]n4)ccc3C)on2)cc1 ZINC000737289093 599328548 /nfs/dbraw/zinc/32/85/48/599328548.db2.gz SLLWJFOYXMANMO-UHFFFAOYSA-N -1 3 346.394 3.751 20 0 EHADHM FC(F)(F)Cc1ccccc1NCc1ccccc1-c1nnn[n-]1 ZINC000737628633 599331365 /nfs/dbraw/zinc/33/13/65/599331365.db2.gz ZJUIJKXCFJYYNM-UHFFFAOYSA-N -1 3 333.317 3.584 20 0 EHADHM FC(F)(F)Cc1ccccc1NCc1ccccc1-c1nn[n-]n1 ZINC000737628633 599331368 /nfs/dbraw/zinc/33/13/68/599331368.db2.gz ZJUIJKXCFJYYNM-UHFFFAOYSA-N -1 3 333.317 3.584 20 0 EHADHM O=C(Nc1ccsc1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738197646 599343058 /nfs/dbraw/zinc/34/30/58/599343058.db2.gz MVWRHIGFVGDNQD-UHFFFAOYSA-N -1 3 347.403 3.848 20 0 EHADHM O=C(Nc1ccsc1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738197646 599343060 /nfs/dbraw/zinc/34/30/60/599343060.db2.gz MVWRHIGFVGDNQD-UHFFFAOYSA-N -1 3 347.403 3.848 20 0 EHADHM c1csc(-c2cc(CSc3ccccc3-c3nnn[n-]3)no2)c1 ZINC000823815195 599348662 /nfs/dbraw/zinc/34/86/62/599348662.db2.gz ANYPNAFLPWMRCA-UHFFFAOYSA-N -1 3 341.421 3.876 20 0 EHADHM c1csc(-c2cc(CSc3ccccc3-c3nn[n-]n3)no2)c1 ZINC000823815195 599348665 /nfs/dbraw/zinc/34/86/65/599348665.db2.gz ANYPNAFLPWMRCA-UHFFFAOYSA-N -1 3 341.421 3.876 20 0 EHADHM CSCCCOc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821970652 599382049 /nfs/dbraw/zinc/38/20/49/599382049.db2.gz QCHPPLOCPOQUMI-UHFFFAOYSA-N -1 3 326.425 3.666 20 0 EHADHM c1csc([C@H]2CCCN2c2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000738451567 599398951 /nfs/dbraw/zinc/39/89/51/599398951.db2.gz IAZCGJSHOVRTCW-OAHLLOKOSA-N -1 3 348.435 3.818 20 0 EHADHM c1csc([C@H]2CCCN2c2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000738451567 599398955 /nfs/dbraw/zinc/39/89/55/599398955.db2.gz IAZCGJSHOVRTCW-OAHLLOKOSA-N -1 3 348.435 3.818 20 0 EHADHM CC(C)c1nc(CCNc2cc(Cl)ccc2-c2nnn[n-]2)cs1 ZINC000735941461 599423705 /nfs/dbraw/zinc/42/37/05/599423705.db2.gz ZLFMCZQXKXDEJB-UHFFFAOYSA-N -1 3 348.863 3.755 20 0 EHADHM CC(C)c1nc(CCNc2cc(Cl)ccc2-c2nn[n-]n2)cs1 ZINC000735941461 599423709 /nfs/dbraw/zinc/42/37/09/599423709.db2.gz ZLFMCZQXKXDEJB-UHFFFAOYSA-N -1 3 348.863 3.755 20 0 EHADHM C[C@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)c(Cl)c1 ZINC000820455334 599492227 /nfs/dbraw/zinc/49/22/27/599492227.db2.gz HGKLVHPKHIFJHP-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)c(Cl)c1 ZINC000820455334 599492229 /nfs/dbraw/zinc/49/22/29/599492229.db2.gz HGKLVHPKHIFJHP-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM COc1ccc2c(c1)CCC[C@@H]2Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821849739 599503766 /nfs/dbraw/zinc/50/37/66/599503766.db2.gz OZMWVUYCVXHYJC-INIZCTEOSA-N -1 3 339.374 3.504 20 0 EHADHM COc1ccc2c(c1)CCC[C@@H]2Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821849739 599503769 /nfs/dbraw/zinc/50/37/69/599503769.db2.gz OZMWVUYCVXHYJC-INIZCTEOSA-N -1 3 339.374 3.504 20 0 EHADHM CCc1cccc2c1OCC[C@@H]2Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821492320 599516270 /nfs/dbraw/zinc/51/62/70/599516270.db2.gz LSISACGBRQNSIM-INIZCTEOSA-N -1 3 339.374 3.504 20 0 EHADHM CCc1cccc2c1OCC[C@@H]2Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821492320 599516271 /nfs/dbraw/zinc/51/62/71/599516271.db2.gz LSISACGBRQNSIM-INIZCTEOSA-N -1 3 339.374 3.504 20 0 EHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCc2ccccc21 ZINC000737628009 599519528 /nfs/dbraw/zinc/51/95/28/599519528.db2.gz TUURMWGDRCSACC-CQSZACIVSA-N -1 3 345.328 3.985 20 0 EHADHM CC[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(C)cc1 ZINC000606187848 599537827 /nfs/dbraw/zinc/53/78/27/599537827.db2.gz QZONEKOENNYSBJ-CQSZACIVSA-N -1 3 335.411 3.698 20 0 EHADHM CC[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(C)cc1 ZINC000606187848 599537830 /nfs/dbraw/zinc/53/78/30/599537830.db2.gz QZONEKOENNYSBJ-CQSZACIVSA-N -1 3 335.411 3.698 20 0 EHADHM CC[C@H](CC(=O)Nc1ccccc1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000736333469 599539578 /nfs/dbraw/zinc/53/95/78/599539578.db2.gz QYYMQBDYTQFRNX-CQSZACIVSA-N -1 3 335.411 3.698 20 0 EHADHM CC[C@H](CC(=O)Nc1ccccc1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000736333469 599539580 /nfs/dbraw/zinc/53/95/80/599539580.db2.gz QYYMQBDYTQFRNX-CQSZACIVSA-N -1 3 335.411 3.698 20 0 EHADHM CCc1ccc([C@@H]2CCCN2c2ccc(F)cc2-c2nnn[n-]2)o1 ZINC000821481797 599561711 /nfs/dbraw/zinc/56/17/11/599561711.db2.gz OJKDLBIKAPFBBP-HNNXBMFYSA-N -1 3 327.363 3.503 20 0 EHADHM CCc1ccc([C@@H]2CCCN2c2ccc(F)cc2-c2nn[n-]n2)o1 ZINC000821481797 599561713 /nfs/dbraw/zinc/56/17/13/599561713.db2.gz OJKDLBIKAPFBBP-HNNXBMFYSA-N -1 3 327.363 3.503 20 0 EHADHM Cc1ccccc1[C@@H]1C[C@H](C)N(c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000822351213 599565141 /nfs/dbraw/zinc/56/51/41/599565141.db2.gz 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CCN(CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])CC(C)C ZINC000737069290 600508011 /nfs/dbraw/zinc/50/80/11/600508011.db2.gz GAMPZBUQPCCSDG-UHFFFAOYSA-N -1 3 347.242 3.608 20 0 EHADHM C[C@@H](NCc1cccc(OCC(=O)[O-])c1)c1ccc(F)c(Cl)c1 ZINC000736665708 600639261 /nfs/dbraw/zinc/63/92/61/600639261.db2.gz YBSTZMAUQYVVCT-LLVKDONJSA-N -1 3 337.778 3.793 20 0 EHADHM C[C@@H](CN[C@@H](C(=O)[O-])c1ccccc1F)Oc1cccc(Cl)c1 ZINC000827502652 600756165 /nfs/dbraw/zinc/75/61/65/600756165.db2.gz NUNCFAOSSZUZNQ-MEDUHNTESA-N -1 3 337.778 3.662 20 0 EHADHM CC[C@H](C)Oc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000820876951 607475116 /nfs/dbraw/zinc/47/51/16/607475116.db2.gz XBPJXSDFUWOXQE-LBPRGKRZSA-N -1 3 341.390 3.795 20 0 EHADHM CC[C@H](C)Oc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000820876951 607475117 /nfs/dbraw/zinc/47/51/17/607475117.db2.gz XBPJXSDFUWOXQE-LBPRGKRZSA-N -1 3 341.390 3.795 20 0 EHADHM CCn1c(C)cc2c1CCC[C@H]2N[C@@H](C(=O)[O-])c1ccccc1F ZINC000830412653 600994296 /nfs/dbraw/zinc/99/42/96/600994296.db2.gz 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C[C@]1(NCc2ncc(-c3ccc(F)cc3)o2)CCCC[C@H]1C(=O)[O-] ZINC000833569518 604820784 /nfs/dbraw/zinc/82/07/84/604820784.db2.gz LZJMLSCECFAMDI-KSSFIOAISA-N -1 3 332.375 3.604 20 0 EHADHM CC(C)CN(CCC(=O)[O-])Cc1coc(-c2c(F)cccc2F)n1 ZINC000833486488 605064930 /nfs/dbraw/zinc/06/49/30/605064930.db2.gz KIZZRGDSHICPAZ-UHFFFAOYSA-N -1 3 338.354 3.553 20 0 EHADHM CCc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2cccc(C(=O)OC)c2)cc1 ZINC000833669595 605194616 /nfs/dbraw/zinc/19/46/16/605194616.db2.gz HSBOMAQALWAUKD-ACJLOTCBSA-N -1 3 341.407 3.512 20 0 EHADHM C[C@H](NC(=O)C[C@@H]1CCCCC1(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000824479655 607745454 /nfs/dbraw/zinc/74/54/54/607745454.db2.gz PJAFCYJOCDJPHU-BBRMVZONSA-N -1 3 341.459 3.650 20 0 EHADHM C[C@H](NC(=O)C[C@@H]1CCCCC1(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000824479655 607745455 /nfs/dbraw/zinc/74/54/55/607745455.db2.gz PJAFCYJOCDJPHU-BBRMVZONSA-N -1 3 341.459 3.650 20 0 EHADHM C[C@H](Cc1ccsc1)Nc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000820306742 606053839 /nfs/dbraw/zinc/05/38/39/606053839.db2.gz DLZKZWQPRURGEE-LLVKDONJSA-N -1 3 336.424 3.520 20 0 EHADHM C[C@H](Cc1ccsc1)Nc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000820306742 606053846 /nfs/dbraw/zinc/05/38/46/606053846.db2.gz DLZKZWQPRURGEE-LLVKDONJSA-N -1 3 336.424 3.520 20 0 EHADHM C[C@@H](Cc1ccsc1)Nc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000820306743 606054209 /nfs/dbraw/zinc/05/42/09/606054209.db2.gz DLZKZWQPRURGEE-NSHDSACASA-N -1 3 336.424 3.520 20 0 EHADHM C[C@@H](Cc1ccsc1)Nc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000820306743 606054216 /nfs/dbraw/zinc/05/42/16/606054216.db2.gz DLZKZWQPRURGEE-NSHDSACASA-N -1 3 336.424 3.520 20 0 EHADHM CC(C)CN(Cc1cnc(Cl)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820093349 606182852 /nfs/dbraw/zinc/18/28/52/606182852.db2.gz WHJUMFDZAUXJSG-UHFFFAOYSA-N -1 3 348.863 3.639 20 0 EHADHM C/C=C(/C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820826596 606287321 /nfs/dbraw/zinc/28/73/21/606287321.db2.gz OCCMPDOMQVUXMO-BASWHVEKSA-N -1 3 335.367 3.564 20 0 EHADHM C/C=C(/C)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820826596 606287323 /nfs/dbraw/zinc/28/73/23/606287323.db2.gz OCCMPDOMQVUXMO-BASWHVEKSA-N -1 3 335.367 3.564 20 0 EHADHM CCOc1ccc(-c2nnn[n-]2)cc1N[C@@H]1CCc2ccc(F)cc21 ZINC000821412416 606326615 /nfs/dbraw/zinc/32/66/15/606326615.db2.gz KZKYRNMRUKQZNU-OAHLLOKOSA-N -1 3 339.374 3.504 20 0 EHADHM CCOc1ccc(-c2nn[n-]n2)cc1N[C@@H]1CCc2ccc(F)cc21 ZINC000821412416 606326618 /nfs/dbraw/zinc/32/66/18/606326618.db2.gz KZKYRNMRUKQZNU-OAHLLOKOSA-N -1 3 339.374 3.504 20 0 EHADHM Cc1ccccc1C1(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000822351016 606356943 /nfs/dbraw/zinc/35/69/43/606356943.db2.gz JLBWYICIGBLETO-CQSZACIVSA-N -1 3 348.406 3.511 20 0 EHADHM Cc1ccccc1C1(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822351016 606356945 /nfs/dbraw/zinc/35/69/45/606356945.db2.gz JLBWYICIGBLETO-CQSZACIVSA-N -1 3 348.406 3.511 20 0 EHADHM CC(C)(C)C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819899205 606358604 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CCCCN(C(=O)c1cc(-c2nnn[n-]2)cs1)C1CCCCC1 ZINC000821060373 606491718 /nfs/dbraw/zinc/49/17/18/606491718.db2.gz CLNPSZAXBFCLGH-UHFFFAOYSA-N -1 3 333.461 3.503 20 0 EHADHM CCCCN(C(=O)c1cc(-c2nn[n-]n2)cs1)C1CCCCC1 ZINC000821060373 606491719 /nfs/dbraw/zinc/49/17/19/606491719.db2.gz CLNPSZAXBFCLGH-UHFFFAOYSA-N -1 3 333.461 3.503 20 0 EHADHM Cc1ccc(C)c(N(C(=O)c2cc(-c3nnn[n-]3)cs2)C(C)C)c1 ZINC000822231904 606502539 /nfs/dbraw/zinc/50/25/39/606502539.db2.gz MCFXDAHRBYZNNN-UHFFFAOYSA-N -1 3 341.440 3.600 20 0 EHADHM Cc1ccc(C)c(N(C(=O)c2cc(-c3nn[n-]n3)cs2)C(C)C)c1 ZINC000822231904 606502540 /nfs/dbraw/zinc/50/25/40/606502540.db2.gz MCFXDAHRBYZNNN-UHFFFAOYSA-N -1 3 341.440 3.600 20 0 EHADHM FC(F)(F)CCc1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822713975 606600572 /nfs/dbraw/zinc/60/05/72/606600572.db2.gz DOIPJEWQAAJLGU-UHFFFAOYSA-N -1 3 347.344 3.974 20 0 EHADHM FC(F)(F)CCc1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822713975 606600573 /nfs/dbraw/zinc/60/05/73/606600573.db2.gz DOIPJEWQAAJLGU-UHFFFAOYSA-N -1 3 347.344 3.974 20 0 EHADHM CC[C@H](C)c1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000820882112 606675242 /nfs/dbraw/zinc/67/52/42/606675242.db2.gz JYIBWBVHURKXFN-LBPRGKRZSA-N -1 3 335.411 3.941 20 0 EHADHM CC[C@H](C)c1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000820882112 606675243 /nfs/dbraw/zinc/67/52/43/606675243.db2.gz JYIBWBVHURKXFN-LBPRGKRZSA-N -1 3 335.411 3.941 20 0 EHADHM C[C@@H](CCSc1ccccc1)Sc1cc(-c2nnn[n-]2)ccn1 ZINC000820248973 606770168 /nfs/dbraw/zinc/77/01/68/606770168.db2.gz QBYKMHOAYHHVOB-LBPRGKRZSA-N -1 3 343.481 3.925 20 0 EHADHM C[C@@H](CCSc1ccccc1)Sc1cc(-c2nn[n-]n2)ccn1 ZINC000820248973 606770170 /nfs/dbraw/zinc/77/01/70/606770170.db2.gz QBYKMHOAYHHVOB-LBPRGKRZSA-N -1 3 343.481 3.925 20 0 EHADHM CC(C)=C(C)C(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000820004970 606847531 /nfs/dbraw/zinc/84/75/31/606847531.db2.gz GWQFYTGPEHPZCK-UHFFFAOYSA-N -1 3 339.424 3.890 20 0 EHADHM CC(C)=C(C)C(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000820004970 606847533 /nfs/dbraw/zinc/84/75/33/606847533.db2.gz GWQFYTGPEHPZCK-UHFFFAOYSA-N -1 3 339.424 3.890 20 0 EHADHM CCc1c(C)sc(NC(=O)C2(CC)CCCC2)c1-c1nnn[n-]1 ZINC000821465972 606849714 /nfs/dbraw/zinc/84/97/14/606849714.db2.gz SFRQLJIUVSERAM-UHFFFAOYSA-N -1 3 333.461 3.708 20 0 EHADHM CCc1c(C)sc(NC(=O)C2(CC)CCCC2)c1-c1nn[n-]n1 ZINC000821465972 606849715 /nfs/dbraw/zinc/84/97/15/606849715.db2.gz SFRQLJIUVSERAM-UHFFFAOYSA-N -1 3 333.461 3.708 20 0 EHADHM Cc1cccc(OC(F)F)c1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822328428 606930034 /nfs/dbraw/zinc/93/00/34/606930034.db2.gz PTFQYBAOEHSTTO-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM Cc1cccc(OC(F)F)c1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822328428 606930035 /nfs/dbraw/zinc/93/00/35/606930035.db2.gz PTFQYBAOEHSTTO-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)c1ccc2ccccc2c1 ZINC000823070774 607012804 /nfs/dbraw/zinc/01/28/04/607012804.db2.gz NNTHYZGCARJZDI-UHFFFAOYSA-N -1 3 346.415 3.995 20 0 EHADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)c1ccc2ccccc2c1 ZINC000823070774 607012805 /nfs/dbraw/zinc/01/28/05/607012805.db2.gz NNTHYZGCARJZDI-UHFFFAOYSA-N -1 3 346.415 3.995 20 0 EHADHM CCOCCC1(CNc2cc(Cl)ccc2-c2nnn[n-]2)CCC1 ZINC000821373012 607031819 /nfs/dbraw/zinc/03/18/19/607031819.db2.gz BBTIMQNABYBEIV-UHFFFAOYSA-N -1 3 335.839 3.529 20 0 EHADHM CCOCCC1(CNc2cc(Cl)ccc2-c2nn[n-]n2)CCC1 ZINC000821373012 607031820 /nfs/dbraw/zinc/03/18/20/607031820.db2.gz BBTIMQNABYBEIV-UHFFFAOYSA-N -1 3 335.839 3.529 20 0 EHADHM CCOc1cc(Cl)ccc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000821395219 607052878 /nfs/dbraw/zinc/05/28/78/607052878.db2.gz SHUPITHMBZZARL-UHFFFAOYSA-N -1 3 335.820 3.592 20 0 EHADHM COc1cccc2c1CC[C@H]2Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000821877799 607119402 /nfs/dbraw/zinc/11/94/02/607119402.db2.gz VTWSZZVMDSLBJB-CQSZACIVSA-N -1 3 341.802 3.628 20 0 EHADHM COc1cccc2c1CC[C@H]2Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821877799 607119404 /nfs/dbraw/zinc/11/94/04/607119404.db2.gz VTWSZZVMDSLBJB-CQSZACIVSA-N -1 3 341.802 3.628 20 0 EHADHM C[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000820225815 607188947 /nfs/dbraw/zinc/18/89/47/607188947.db2.gz PTQZNBBQJYEVTC-NSHDSACASA-N -1 3 341.802 3.652 20 0 EHADHM C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000820225815 607188948 /nfs/dbraw/zinc/18/89/48/607188948.db2.gz PTQZNBBQJYEVTC-NSHDSACASA-N -1 3 341.802 3.652 20 0 EHADHM CN(C(=O)c1ccc(C(C)(C)C)s1)c1ccccc1-c1nnn[n-]1 ZINC000825829969 607789228 /nfs/dbraw/zinc/78/92/28/607789228.db2.gz MUHKVBMJPRNZGZ-UHFFFAOYSA-N -1 3 341.440 3.502 20 0 EHADHM CN(C(=O)c1ccc(C(C)(C)C)s1)c1ccccc1-c1nn[n-]n1 ZINC000825829969 607789229 /nfs/dbraw/zinc/78/92/29/607789229.db2.gz MUHKVBMJPRNZGZ-UHFFFAOYSA-N -1 3 341.440 3.502 20 0 EHADHM CCc1ccc([C@H](C)CC(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1 ZINC000825704952 607790668 /nfs/dbraw/zinc/79/06/68/607790668.db2.gz RJYMKKLGKFLNER-CQSZACIVSA-N -1 3 349.438 3.586 20 0 EHADHM CCc1ccc([C@H](C)CC(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1 ZINC000825704952 607790669 /nfs/dbraw/zinc/79/06/69/607790669.db2.gz RJYMKKLGKFLNER-CQSZACIVSA-N -1 3 349.438 3.586 20 0 EHADHM CC[C@@H](CC(=O)N(CC)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000825083073 607797791 /nfs/dbraw/zinc/79/77/91/607797791.db2.gz XCTSNOWUZATLPA-HNNXBMFYSA-N -1 3 349.438 3.804 20 0 EHADHM CC[C@@H](CC(=O)N(CC)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000825083073 607797792 /nfs/dbraw/zinc/79/77/92/607797792.db2.gz XCTSNOWUZATLPA-HNNXBMFYSA-N -1 3 349.438 3.804 20 0 EHADHM Clc1cccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000826353599 607838573 /nfs/dbraw/zinc/83/85/73/607838573.db2.gz WJEYMCXJZJZIQM-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM Clc1cccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC000826353599 607838574 /nfs/dbraw/zinc/83/85/74/607838574.db2.gz WJEYMCXJZJZIQM-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM Fc1ccc(-c2nnn[n-]2)cc1CSCc1csc(C2CC2)n1 ZINC000826373570 607984754 /nfs/dbraw/zinc/98/47/54/607984754.db2.gz QQZKZGGUVRWSKK-UHFFFAOYSA-N -1 3 347.444 3.773 20 0 EHADHM Fc1ccc(-c2nn[n-]n2)cc1CSCc1csc(C2CC2)n1 ZINC000826373570 607984755 /nfs/dbraw/zinc/98/47/55/607984755.db2.gz QQZKZGGUVRWSKK-UHFFFAOYSA-N -1 3 347.444 3.773 20 0 EHADHM Cc1ncc(-c2ccccc2)cc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826329941 608028271 /nfs/dbraw/zinc/02/82/71/608028271.db2.gz YWQCPEDZBBQSQW-UHFFFAOYSA-N -1 3 342.406 3.849 20 0 EHADHM Cc1ncc(-c2ccccc2)cc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826329941 608028272 /nfs/dbraw/zinc/02/82/72/608028272.db2.gz YWQCPEDZBBQSQW-UHFFFAOYSA-N -1 3 342.406 3.849 20 0 EHADHM CCC(CC)[C@H](C)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825094768 608071555 /nfs/dbraw/zinc/07/15/55/608071555.db2.gz BGNSBIILDCJJDG-JTQLQIEISA-N -1 3 335.839 3.555 20 0 EHADHM CCC(CC)[C@H](C)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825094768 608071556 /nfs/dbraw/zinc/07/15/56/608071556.db2.gz BGNSBIILDCJJDG-JTQLQIEISA-N -1 3 335.839 3.555 20 0 EHADHM CC(C)(C)[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000824080111 608150011 /nfs/dbraw/zinc/15/00/11/608150011.db2.gz URUVFZATKNIRIK-SMDDNHRTSA-N -1 3 335.839 3.526 20 0 EHADHM CC(C)(C)[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000824080111 608150012 /nfs/dbraw/zinc/15/00/12/608150012.db2.gz URUVFZATKNIRIK-SMDDNHRTSA-N -1 3 335.839 3.526 20 0 EHADHM CC(C)N(Cc1ccccc1F)Cc1cccc(-c2nnn[n-]2)c1F ZINC000824296039 608387573 /nfs/dbraw/zinc/38/75/73/608387573.db2.gz DDNUIZSNSKVIRN-UHFFFAOYSA-N -1 3 343.381 3.556 20 0 EHADHM CC(C)N(Cc1ccccc1F)Cc1cccc(-c2nn[n-]n2)c1F ZINC000824296039 608387575 /nfs/dbraw/zinc/38/75/75/608387575.db2.gz DDNUIZSNSKVIRN-UHFFFAOYSA-N -1 3 343.381 3.556 20 0 EHADHM CCN(Cc1ccc(-c2nnn[n-]2)s1)Cc1ccccc1Cl ZINC000825435337 608532159 /nfs/dbraw/zinc/53/21/59/608532159.db2.gz UTFXDPLSVKHPPQ-UHFFFAOYSA-N -1 3 333.848 3.604 20 0 EHADHM CCN(Cc1ccc(-c2nn[n-]n2)s1)Cc1ccccc1Cl ZINC000825435337 608532160 /nfs/dbraw/zinc/53/21/60/608532160.db2.gz UTFXDPLSVKHPPQ-UHFFFAOYSA-N -1 3 333.848 3.604 20 0 EHADHM C[C@@H](NCc1ccc(F)cc1-c1nn[n-]n1)c1c(F)cccc1Cl ZINC000824613900 608553202 /nfs/dbraw/zinc/55/32/02/608553202.db2.gz YBBLVTHQVGTKBP-SECBINFHSA-N -1 3 349.772 3.649 20 0 EHADHM CC1(C)CN(Cc2ccc(-c3nnn[n-]3)s2)[C@H]1c1ccccc1 ZINC000824808501 608629308 /nfs/dbraw/zinc/62/93/08/608629308.db2.gz SWWVBHRGXHLUCA-HNNXBMFYSA-N -1 3 325.441 3.511 20 0 EHADHM C[C@@H]1CCN(Cc2cccc(-c3nnn[n-]3)c2F)[C@H](c2ccco2)C1 ZINC000824963047 608650613 /nfs/dbraw/zinc/65/06/13/608650613.db2.gz ZBMPNICYEIQUMS-DOMZBBRYSA-N -1 3 341.390 3.572 20 0 EHADHM CCCOc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000825341607 609172789 /nfs/dbraw/zinc/17/27/89/609172789.db2.gz FWKGQPQAIUOWCF-LBPRGKRZSA-N -1 3 341.390 3.968 20 0 EHADHM CCCOc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000825341607 609172791 /nfs/dbraw/zinc/17/27/91/609172791.db2.gz FWKGQPQAIUOWCF-LBPRGKRZSA-N -1 3 341.390 3.968 20 0 EHADHM C[C@@H](Nc1cc(F)ccc1OC(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000824649510 609247229 /nfs/dbraw/zinc/24/72/29/609247229.db2.gz NAVLVJUOEDZJRR-SECBINFHSA-N -1 3 349.316 3.780 20 0 EHADHM C[C@@H](Nc1cc(F)ccc1OC(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824649510 609247231 /nfs/dbraw/zinc/24/72/31/609247231.db2.gz NAVLVJUOEDZJRR-SECBINFHSA-N -1 3 349.316 3.780 20 0 EHADHM COCC[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(C)o1 ZINC000826155238 609322972 /nfs/dbraw/zinc/32/29/72/609322972.db2.gz KKOPBGNVHHWJFJ-AWEZNQCLSA-N -1 3 347.806 3.611 20 0 EHADHM COCC[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(C)o1 ZINC000826155238 609322974 /nfs/dbraw/zinc/32/29/74/609322974.db2.gz KKOPBGNVHHWJFJ-AWEZNQCLSA-N -1 3 347.806 3.611 20 0 EHADHM C[C@@H](Nc1cccc(OC(F)F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824663166 609346138 /nfs/dbraw/zinc/34/61/38/609346138.db2.gz WAVCJRNXPAAMMG-SECBINFHSA-N -1 3 349.316 3.780 20 0 EHADHM C[C@@H](Nc1cccc(OC(F)F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824663166 609346139 /nfs/dbraw/zinc/34/61/39/609346139.db2.gz WAVCJRNXPAAMMG-SECBINFHSA-N -1 3 349.316 3.780 20 0 EHADHM Cc1nc2ccc(NCc3cccc(-c4nnn[n-]4)c3F)cc2s1 ZINC000826328792 609476396 /nfs/dbraw/zinc/47/63/96/609476396.db2.gz CWHDMIAWRFPVJV-UHFFFAOYSA-N -1 3 340.387 3.536 20 0 EHADHM Cc1nc2ccc(NCc3cccc(-c4nn[n-]n4)c3F)cc2s1 ZINC000826328792 609476397 /nfs/dbraw/zinc/47/63/97/609476397.db2.gz CWHDMIAWRFPVJV-UHFFFAOYSA-N -1 3 340.387 3.536 20 0 EHADHM CCCCOc1ccccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000825296254 609478496 /nfs/dbraw/zinc/47/84/96/609478496.db2.gz ALYJIQKWOMVKQR-UHFFFAOYSA-N -1 3 341.390 3.797 20 0 EHADHM CCCCOc1ccccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000825296254 609478497 /nfs/dbraw/zinc/47/84/97/609478497.db2.gz ALYJIQKWOMVKQR-UHFFFAOYSA-N -1 3 341.390 3.797 20 0 EHADHM Fc1c(CNc2cccc3ccsc32)cccc1-c1nnn[n-]1 ZINC000826371127 609481572 /nfs/dbraw/zinc/48/15/72/609481572.db2.gz UOIRAFHIHHWNPD-UHFFFAOYSA-N -1 3 325.372 3.833 20 0 EHADHM Fc1c(CNc2cccc3ccsc32)cccc1-c1nn[n-]n1 ZINC000826371127 609481573 /nfs/dbraw/zinc/48/15/73/609481573.db2.gz UOIRAFHIHHWNPD-UHFFFAOYSA-N -1 3 325.372 3.833 20 0 EHADHM Cc1sc(NC(=O)C2C[C@@H](C)C[C@H](C)C2)c(-c2nnn[n-]2)c1C ZINC000826349566 609509400 /nfs/dbraw/zinc/50/94/00/609509400.db2.gz MNOZVWHZIIEYTN-IUCAKERBSA-N -1 3 333.461 3.556 20 0 EHADHM Cc1sc(NC(=O)C2C[C@@H](C)C[C@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000826349566 609509402 /nfs/dbraw/zinc/50/94/02/609509402.db2.gz MNOZVWHZIIEYTN-IUCAKERBSA-N -1 3 333.461 3.556 20 0 EHADHM Cc1ccnc(N[C@@H](C)c2ccc3ccccc3c2)c1-c1nnn[n-]1 ZINC000826312002 609520944 /nfs/dbraw/zinc/52/09/44/609520944.db2.gz SUPBPTCLAVOQLU-ZDUSSCGKSA-N -1 3 330.395 3.896 20 0 EHADHM Cc1ccnc(N[C@@H](C)c2ccc3ccccc3c2)c1-c1nn[n-]n1 ZINC000826312002 609520946 /nfs/dbraw/zinc/52/09/46/609520946.db2.gz SUPBPTCLAVOQLU-ZDUSSCGKSA-N -1 3 330.395 3.896 20 0 EHADHM Fc1ccc(-c2nnn[n-]2)cc1CN(Cc1ccco1)c1ccccc1 ZINC000737652652 945106164 /nfs/dbraw/zinc/10/61/64/945106164.db2.gz WPMLKULNRRHIKU-UHFFFAOYSA-N -1 3 349.369 3.806 20 0 EHADHM Fc1ccc(-c2nn[n-]n2)cc1CN(Cc1ccco1)c1ccccc1 ZINC000737652652 945106170 /nfs/dbraw/zinc/10/61/70/945106170.db2.gz WPMLKULNRRHIKU-UHFFFAOYSA-N -1 3 349.369 3.806 20 0 EHADHM CC(=Cc1ccccc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000755833352 945269513 /nfs/dbraw/zinc/26/95/13/945269513.db2.gz JXMVVQCCCCNXKY-ZHACJKMWSA-N -1 3 339.786 3.562 20 0 EHADHM CC(=Cc1ccccc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000755833352 945269521 /nfs/dbraw/zinc/26/95/21/945269521.db2.gz JXMVVQCCCCNXKY-ZHACJKMWSA-N -1 3 339.786 3.562 20 0 EHADHM O=C([O-])[C@@H]1c2ccccc2CCN1Cc1ccc(F)c2cccnc12 ZINC000326503136 971299510 /nfs/dbraw/zinc/29/95/10/971299510.db2.gz PWNRDANQRGPMQB-IBGZPJMESA-N -1 3 336.366 3.558 20 0 EHADHM Cc1nccn1CCCCSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826330832 947960423 /nfs/dbraw/zinc/96/04/23/947960423.db2.gz JXMWVPHVTAIQMF-UHFFFAOYSA-N -1 3 348.863 3.598 20 0 EHADHM O=C(CCCc1ccsc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826406627 948237816 /nfs/dbraw/zinc/23/78/16/948237816.db2.gz GCDPEQQCNOSIIG-UHFFFAOYSA-N -1 3 347.831 3.543 20 0 EHADHM O=C(CCCc1ccsc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826406627 948237821 /nfs/dbraw/zinc/23/78/21/948237821.db2.gz GCDPEQQCNOSIIG-UHFFFAOYSA-N -1 3 347.831 3.543 20 0 EHADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)C1CCCCC1 ZINC000826421022 948264699 /nfs/dbraw/zinc/26/46/99/948264699.db2.gz NUNIZRUBPMFTFV-UHFFFAOYSA-N -1 3 336.848 3.762 20 0 EHADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)C1CCCCC1 ZINC000826421022 948264705 /nfs/dbraw/zinc/26/47/05/948264705.db2.gz NUNIZRUBPMFTFV-UHFFFAOYSA-N -1 3 336.848 3.762 20 0 EHADHM O=C([O-])c1ccc(CN2CC=C(c3ccc(Cl)nc3)CC2)cc1 ZINC001595227395 949313442 /nfs/dbraw/zinc/31/34/42/949313442.db2.gz CLOWBVKYYHQWDF-UHFFFAOYSA-N -1 3 328.799 3.723 20 0 EHADHM C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001576169841 949695540 /nfs/dbraw/zinc/69/55/40/949695540.db2.gz JWADLKRHKWTOPP-WDEREUQCSA-N -1 3 333.823 3.675 20 0 EHADHM C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001576169841 949695552 /nfs/dbraw/zinc/69/55/52/949695552.db2.gz JWADLKRHKWTOPP-WDEREUQCSA-N -1 3 333.823 3.675 20 0 EHADHM COc1ccc([C@H]2CCCN2Cc2ccc(C(=O)[O-])cc2)cc1OC ZINC000263565233 950511954 /nfs/dbraw/zinc/51/19/54/950511954.db2.gz FJFGSPRSIFSYNL-QGZVFWFLSA-N -1 3 341.407 3.739 20 0 EHADHM C[C@@H](CC(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC001574519786 950698700 /nfs/dbraw/zinc/69/87/00/950698700.db2.gz IKSTVTADESMNCW-NSHDSACASA-N -1 3 331.395 3.551 20 0 EHADHM C[C@@H](CC(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC001574519786 950698715 /nfs/dbraw/zinc/69/87/15/950698715.db2.gz IKSTVTADESMNCW-NSHDSACASA-N -1 3 331.395 3.551 20 0 EHADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(N[C@@H]2CC23CCCCC3)n1 ZINC001573881266 950752163 /nfs/dbraw/zinc/75/21/63/950752163.db2.gz BXVSDNUCQZOGNL-CQSZACIVSA-N -1 3 326.448 3.694 20 0 EHADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(N[C@@H]2CC23CCCCC3)n1 ZINC001573881266 950752182 /nfs/dbraw/zinc/75/21/82/950752182.db2.gz BXVSDNUCQZOGNL-CQSZACIVSA-N -1 3 326.448 3.694 20 0 EHADHM CC(C)(C)c1ccc(C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)cc1 ZINC001573881949 950760557 /nfs/dbraw/zinc/76/05/57/950760557.db2.gz LDBLMKGRSJTBPL-UHFFFAOYSA-N -1 3 339.374 3.556 20 0 EHADHM CC(C)(C)c1ccc(C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)cc1 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CCc1ccc(C(=O)N2CCC[C@@H]2c2cccc(OC)c2)c([O-])c1 ZINC000436804731 1021250792 /nfs/dbraw/zinc/25/07/92/1021250792.db2.gz CIFVUGCGMGQJPZ-GOSISDBHSA-N -1 3 325.408 3.941 20 0 EHADHM CCO[C@@H](C)c1nc(CN(C)C(=O)c2ccc(CC)cc2[O-])cs1 ZINC000436829937 1021261476 /nfs/dbraw/zinc/26/14/76/1021261476.db2.gz BWNOBYDDMALYFO-LBPRGKRZSA-N -1 3 348.468 3.781 20 0 EHADHM CCc1ccc(C(=O)N2CC[C@H](Oc3ccccc3Cl)C2)c([O-])c1 ZINC000436833660 1021267184 /nfs/dbraw/zinc/26/71/84/1021267184.db2.gz WPFLJIHAROMTES-AWEZNQCLSA-N -1 3 345.826 3.902 20 0 EHADHM CC(C)c1ccc(C(=O)N2CCOc3ccc(F)cc3C2)c([O-])c1 ZINC000436833357 1021267786 /nfs/dbraw/zinc/26/77/86/1021267786.db2.gz VZCOUBXLQDCASS-UHFFFAOYSA-N -1 3 329.371 3.690 20 0 EHADHM CCc1ccc(C(=O)N2CC(c3nc4ccccc4s3)C2)c([O-])c1 ZINC000436827280 1021278303 /nfs/dbraw/zinc/27/83/03/1021278303.db2.gz DCEHQJJVZFULLT-UHFFFAOYSA-N -1 3 338.432 3.804 20 0 EHADHM C[C@@H]1CCN(Cc2c(Br)cccc2C(=O)[O-])[C@H](C)C1 ZINC000656757832 1021279671 /nfs/dbraw/zinc/27/96/71/1021279671.db2.gz TUUPBLGKUFDECF-GHMZBOCLSA-N -1 3 326.234 3.768 20 0 EHADHM CCc1ccc(C(=O)N2CC(Cc3ccccc3Cl)C2)c([O-])c1 ZINC000436827294 1021280028 /nfs/dbraw/zinc/28/00/28/1021280028.db2.gz DDZLKGMZLXDCHZ-UHFFFAOYSA-N -1 3 329.827 3.923 20 0 EHADHM Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc([O-])c3F)cc2F)n1 ZINC000129745305 1021293055 /nfs/dbraw/zinc/29/30/55/1021293055.db2.gz MADCQTQICUEAMF-UHFFFAOYSA-N -1 3 343.333 3.725 20 0 EHADHM COc1ccc([C@H]2CCCN2C(=O)c2ccc(C(C)=O)c([O-])c2)cc1 ZINC000436871953 1021314895 /nfs/dbraw/zinc/31/48/95/1021314895.db2.gz VFFAXDGFNBRFON-GOSISDBHSA-N -1 3 339.391 3.581 20 0 EHADHM CCc1ccc(C(=O)N[C@@H](C)c2ccc(Br)cn2)c([O-])c1 ZINC000436904128 1021349876 /nfs/dbraw/zinc/34/98/76/1021349876.db2.gz VOVIOIVRDZTDQG-JTQLQIEISA-N -1 3 349.228 3.603 20 0 EHADHM CCCOc1cccc(-c2noc(-c3cccc(OC)c3[O-])n2)c1 ZINC000436912236 1021357151 /nfs/dbraw/zinc/35/71/51/1021357151.db2.gz HEGHJNQVSRHJBT-UHFFFAOYSA-N -1 3 326.352 3.907 20 0 EHADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCc2c1c(F)ccc2F ZINC000436901505 1021366801 /nfs/dbraw/zinc/36/68/01/1021366801.db2.gz BOLQHWGJEGYLGI-UHFFFAOYSA-N -1 3 329.346 3.752 20 0 EHADHM O=C([N-]c1nnc(C(F)(F)F)s1)c1ccc(Cl)cc1F ZINC000031565508 1021379227 /nfs/dbraw/zinc/37/92/27/1021379227.db2.gz LSFNRMMLPCUFIK-UHFFFAOYSA-N -1 3 325.674 3.602 20 0 EHADHM CC1(C)Cc2ccc(-c3nc(-c4n[nH]c5ccccc54)no3)c([O-])c2O1 ZINC000436925129 1021385120 /nfs/dbraw/zinc/38/51/20/1021385120.db2.gz FZKYKMJSDMHKGM-UHFFFAOYSA-N -1 3 348.362 3.699 20 0 EHADHM O=C(NC[C@H]1CCC[C@H]1c1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000516397171 1021391061 /nfs/dbraw/zinc/39/10/61/1021391061.db2.gz JJPZJNLTQVKYJA-SJORKVTESA-N -1 3 346.430 3.842 20 0 EHADHM CCCCOc1ccc(C(=O)N[C@H]2CCOC3(CCCC3)C2)c([O-])c1 ZINC000436978265 1021433209 /nfs/dbraw/zinc/43/32/09/1021433209.db2.gz HREWZUDMMBSCOO-HNNXBMFYSA-N -1 3 347.455 3.793 20 0 EHADHM CC(C)c1ncc(CN(C)C(=O)c2cc([O-])c3ccccc3c2)cn1 ZINC000356283753 1021531051 /nfs/dbraw/zinc/53/10/51/1021531051.db2.gz RWTAQRNLHAWBAC-UHFFFAOYSA-N -1 3 335.407 3.731 20 0 EHADHM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc(O)cc1[O-] ZINC000437328720 1021737482 /nfs/dbraw/zinc/73/74/82/1021737482.db2.gz STONNCUVWYMXSC-SMDDNHRTSA-N -1 3 338.190 3.691 20 0 EHADHM Cc1onc(C2CC2)c1C(=O)[N-]c1nnc(-c2ccsc2)s1 ZINC000519076624 1021816723 /nfs/dbraw/zinc/81/67/23/1021816723.db2.gz MDEUIAXVEKULJW-UHFFFAOYSA-N -1 3 332.410 3.693 20 0 EHADHM CSC[C@@H]1CCCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000516903487 1021824112 /nfs/dbraw/zinc/82/41/12/1021824112.db2.gz JTNAEHFDLRWRMJ-GFCCVEGCSA-N -1 3 343.452 3.657 20 0 EHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1-c1ncco1 ZINC000164668894 1021829735 /nfs/dbraw/zinc/82/97/35/1021829735.db2.gz PRRYMEAJMFFTGI-UHFFFAOYSA-N -1 3 332.356 3.590 20 0 EHADHM COC(=O)c1ccc(-c2nc([C@H](c3ccccc3C)C(C)C)no2)[n-]1 ZINC000426613451 1022034812 /nfs/dbraw/zinc/03/48/12/1022034812.db2.gz SNPMXCGUMICWBX-INIZCTEOSA-N -1 3 339.395 3.948 20 0 EHADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(Cl)s2)sc1Cl ZINC000473900657 1022234366 /nfs/dbraw/zinc/23/43/66/1022234366.db2.gz CYPRATHPHCCLSM-UHFFFAOYSA-N -1 3 342.294 3.903 20 0 EHADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000933584088 1022258825 /nfs/dbraw/zinc/25/88/25/1022258825.db2.gz CGSGLNCRAPSBBX-SDDRHHMPSA-N -1 3 346.377 3.505 20 0 EHADHM C/C(=C\C(=O)[N-]O[C@@H]1CCCCO1)c1cccc(C(F)(F)F)c1 ZINC000172951063 1033042149 /nfs/dbraw/zinc/04/21/49/1033042149.db2.gz BPEYKGGVOHIFSK-SLZMIMFISA-N -1 3 329.318 3.683 20 0 EHADHM O=C(CCCc1cc(Cl)sc1Cl)NCc1ncccc1[O-] ZINC000473640899 1022305441 /nfs/dbraw/zinc/30/54/41/1022305441.db2.gz SIBHTHKIYKMULF-UHFFFAOYSA-N -1 3 345.251 3.795 20 0 EHADHM CCc1ncc(C(=O)[N-]c2nc(Sc3ccccc3)ns2)s1 ZINC000110768422 1022368033 /nfs/dbraw/zinc/36/80/33/1022368033.db2.gz DNJFBTNQFQTRGT-UHFFFAOYSA-N -1 3 348.478 3.961 20 0 EHADHM O=S(=O)([N-][C@]12C[C@H]1CCC2)c1ccc(Cl)cc1C(F)(F)F ZINC000657052825 1022373236 /nfs/dbraw/zinc/37/32/36/1022373236.db2.gz PGINKGPYEVFZCH-PRHODGIISA-N -1 3 339.766 3.580 20 0 EHADHM Cc1ccc(C(=O)Nc2ccc(OC3CCOCC3)c(C)c2)c([O-])c1 ZINC000152273235 1022465200 /nfs/dbraw/zinc/46/52/00/1022465200.db2.gz SOGLFPNTUKWYDE-UHFFFAOYSA-N -1 3 341.407 3.819 20 0 EHADHM O=C(CCc1cnc2ccccc2c1)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000473682762 1022479335 /nfs/dbraw/zinc/47/93/35/1022479335.db2.gz ZXCUDAHCROLTNF-UHFFFAOYSA-N -1 3 342.402 3.618 20 0 EHADHM CN(Cc1ccncc1)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000101635433 1022602767 /nfs/dbraw/zinc/60/27/67/1022602767.db2.gz DVFZBQOSGFRITJ-UHFFFAOYSA-N -1 3 346.430 3.845 20 0 EHADHM CCOc1cc(CN2C[C@H](C)OC3(CCC3)C2)cc(Cl)c1[O-] ZINC000517745289 1022632823 /nfs/dbraw/zinc/63/28/23/1022632823.db2.gz XVKNORYVXXKHGV-LBPRGKRZSA-N -1 3 325.836 3.588 20 0 EHADHM CC(=O)c1ccc(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)cc1[O-] ZINC000331320176 1022786845 /nfs/dbraw/zinc/78/68/45/1022786845.db2.gz DVXSTXGUGXAPJD-WBMJQRKESA-N -1 3 341.382 3.752 20 0 EHADHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cc1 ZINC000517977511 1022893616 /nfs/dbraw/zinc/89/36/16/1022893616.db2.gz FSPWCHVNJAEXJM-ZDUSSCGKSA-N -1 3 331.437 3.934 20 0 EHADHM COc1cc(C(=O)NCc2ccc(C3CCC3)cc2)cc(OC)c1[O-] ZINC000427572899 1022895352 /nfs/dbraw/zinc/89/53/52/1022895352.db2.gz ICHQXZMQCMQGHF-UHFFFAOYSA-N -1 3 341.407 3.607 20 0 EHADHM CCOCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000438725459 1022957640 /nfs/dbraw/zinc/95/76/40/1022957640.db2.gz RJVLBRXQQACCFA-UHFFFAOYSA-N -1 3 331.437 3.513 20 0 EHADHM O=C([O-])[C@H](CC1CCCC1)NCc1csc(-c2ccsc2)n1 ZINC000426718707 1022984146 /nfs/dbraw/zinc/98/41/46/1022984146.db2.gz BXVJALCQAPJRMO-AWEZNQCLSA-N -1 3 336.482 3.995 20 0 EHADHM CC(C)Oc1ccc(Cl)cc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000426741565 1023011154 /nfs/dbraw/zinc/01/11/54/1023011154.db2.gz MAAFSGDTSQOBSY-UHFFFAOYSA-N -1 3 348.765 3.790 20 0 EHADHM CCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(CC)cc2)cc1OC ZINC000426806404 1023047095 /nfs/dbraw/zinc/04/70/95/1023047095.db2.gz JIXMRYZXHPKXPZ-IBGZPJMESA-N -1 3 343.423 3.572 20 0 EHADHM Cn1cc(Nc2cccc(NC(=O)c3cc([O-])ccc3Cl)c2)cn1 ZINC000341697791 1023058468 /nfs/dbraw/zinc/05/84/68/1023058468.db2.gz JTCVHEVEYGMZDU-UHFFFAOYSA-N -1 3 342.786 3.775 20 0 EHADHM CC(C)[C@H](C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cccc(Cl)c1 ZINC000473851202 1023071921 /nfs/dbraw/zinc/07/19/21/1023071921.db2.gz QNLIATGAKXRGJA-RDJZCZTQSA-N -1 3 347.846 3.715 20 0 EHADHM CC(=O)Nc1ccc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000426829292 1023072781 /nfs/dbraw/zinc/07/27/81/1023072781.db2.gz OOCAMMUSISVRPK-QGZVFWFLSA-N -1 3 346.814 3.604 20 0 EHADHM CC(C)[C@H](C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cccc(Cl)c1 ZINC000473851203 1023073073 /nfs/dbraw/zinc/07/30/73/1023073073.db2.gz QNLIATGAKXRGJA-WBVHZDCISA-N -1 3 347.846 3.715 20 0 EHADHM CC[C@](C)(C(=O)[O-])N(Cc1nc(C(F)(F)F)cs1)CC1CC1 ZINC000518218919 1023126209 /nfs/dbraw/zinc/12/62/09/1023126209.db2.gz VAZOILFFCCXJAA-CYBMUJFWSA-N -1 3 336.379 3.627 20 0 EHADHM CCOc1cc(CN2CCc3nc[nH]c3C23CCC3)cc(Cl)c1[O-] ZINC000895068605 1023169177 /nfs/dbraw/zinc/16/91/77/1023169177.db2.gz IENIRCWNDZFBCV-UHFFFAOYSA-N -1 3 347.846 3.605 20 0 EHADHM CCc1ccc(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)c([O-])c1 ZINC000190110408 1023170977 /nfs/dbraw/zinc/17/09/77/1023170977.db2.gz HBMMVPRIMGKMQB-GOSISDBHSA-N -1 3 345.826 3.822 20 0 EHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cccc(Nc2ccccc2)c1 ZINC000473854635 1023235330 /nfs/dbraw/zinc/23/53/30/1023235330.db2.gz YJDUDQDTAFWZIM-SFHVURJKSA-N -1 3 348.406 3.679 20 0 EHADHM Cc1nc(CCNCc2c(Cl)cccc2Cl)sc1C(=O)[O-] ZINC000276927648 1023392948 /nfs/dbraw/zinc/39/29/48/1023392948.db2.gz BAYSXTXCTQMLIR-UHFFFAOYSA-N -1 3 345.251 3.789 20 0 EHADHM O=C(CCOc1cccc(Cl)c1Cl)Nc1ncccc1[O-] ZINC000341881304 1023528511 /nfs/dbraw/zinc/52/85/11/1023528511.db2.gz APIYBIWGXCQZDY-UHFFFAOYSA-N -1 3 327.167 3.502 20 0 EHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)c3ccco3)c2)n1 ZINC000607469715 1033152067 /nfs/dbraw/zinc/15/20/67/1033152067.db2.gz MMFMZLRJXCGUBZ-LBPRGKRZSA-N -1 3 337.379 3.747 20 0 EHADHM C[C@H]1CSCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000191271854 1024039533 /nfs/dbraw/zinc/03/95/33/1024039533.db2.gz YSHKYHXGBXKTKV-OAHLLOKOSA-N -1 3 341.476 3.808 20 0 EHADHM Cc1ccc([O-])c(C(=O)Nc2ccc(C(=O)NCC(C)C)cc2C)c1 ZINC000215755459 1024060348 /nfs/dbraw/zinc/06/03/48/1024060348.db2.gz UTJPBOCDRCQGIY-UHFFFAOYSA-N -1 3 340.423 3.647 20 0 EHADHM O=C(CCc1nc2cc(Cl)ccc2s1)Nc1ncccc1[O-] ZINC000522656514 1024160255 /nfs/dbraw/zinc/16/02/55/1024160255.db2.gz OGYIVIOGFUNWHB-UHFFFAOYSA-N -1 3 333.800 3.622 20 0 EHADHM O=C([O-])[C@H](CNCc1c(Cl)cccc1OC(F)F)C1CCC1 ZINC000665361568 1024292590 /nfs/dbraw/zinc/29/25/90/1024292590.db2.gz RRMDEFLTJXZARQ-SNVBAGLBSA-N -1 3 333.762 3.532 20 0 EHADHM COc1ccc([O-])c(C(=O)Nc2ccc(Br)cc2F)c1 ZINC000051770592 1024425421 /nfs/dbraw/zinc/42/54/21/1024425421.db2.gz NVBHDSJFZKRINZ-UHFFFAOYSA-N -1 3 340.148 3.555 20 0 EHADHM CCOc1ccccc1CCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469019359 1024545992 /nfs/dbraw/zinc/54/59/92/1024545992.db2.gz SCJFKZDKDFLRMW-UHFFFAOYSA-N -1 3 345.414 3.612 20 0 EHADHM Cc1cnc([C@H](C)CNC(=O)CCCc2ccc([O-])c(F)c2)s1 ZINC000346237455 1024551313 /nfs/dbraw/zinc/55/13/13/1024551313.db2.gz MMKPJXWNUPCJSF-LLVKDONJSA-N -1 3 336.432 3.539 20 0 EHADHM CCc1ccc(C(=O)N2CCC(Oc3ccc(C)cc3)CC2)c([O-])c1 ZINC000191682343 1024860143 /nfs/dbraw/zinc/86/01/43/1024860143.db2.gz GCKYHLSTBRPAJW-UHFFFAOYSA-N -1 3 339.435 3.947 20 0 EHADHM CC(C)c1nn(C)cc1[N-]S(=O)(=O)/C=C/c1ccccc1Cl ZINC000281299779 1024898503 /nfs/dbraw/zinc/89/85/03/1024898503.db2.gz YOGOJHDYNCYDKB-CMDGGOBGSA-N -1 3 339.848 3.610 20 0 EHADHM Cc1c(NC(=O)CCCc2ccc([O-])c(F)c2)cnn1CC(C)C ZINC000346619103 1024931878 /nfs/dbraw/zinc/93/18/78/1024931878.db2.gz SFGZFJMQCQJVBO-UHFFFAOYSA-N -1 3 333.407 3.654 20 0 EHADHM CCCOc1ccc(S(=O)(=O)[N-]c2cc(C)c(OC)cc2C)cc1 ZINC000435729388 1025096595 /nfs/dbraw/zinc/09/65/95/1025096595.db2.gz CSBTYXBODXSXCD-UHFFFAOYSA-N -1 3 349.452 3.902 20 0 EHADHM Cc1nc([C@H]2CCCO2)sc1C(=O)[N-]c1c(F)cc(F)cc1F ZINC000342389351 1025160245 /nfs/dbraw/zinc/16/02/45/1025160245.db2.gz VGWSOCHVDWLBLH-LLVKDONJSA-N -1 3 342.342 3.973 20 0 EHADHM COc1cccc([C@H](CC(=O)[O-])NCc2cccc(OC(C)C)c2)c1 ZINC000277457260 1025163569 /nfs/dbraw/zinc/16/35/69/1025163569.db2.gz VJXWKUDJIDZREJ-IBGZPJMESA-N -1 3 343.423 3.788 20 0 EHADHM O=S(=O)([N-]c1cc(Cl)cc(F)c1F)c1ccc(F)c(F)c1 ZINC000442245988 1025224645 /nfs/dbraw/zinc/22/46/45/1025224645.db2.gz YXUONWOVNVXXNI-UHFFFAOYSA-N -1 3 339.697 3.697 20 0 EHADHM Cc1nc(-c2ccc(NC[C@H]3C(C)(C)C3(F)F)nc2)[n-]c(=O)c1C ZINC000664523600 1025380758 /nfs/dbraw/zinc/38/07/58/1025380758.db2.gz IZORDFHINZXGOL-LBPRGKRZSA-N -1 3 334.370 3.564 20 0 EHADHM Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2C(F)(F)F)s1 ZINC000346987475 1025387558 /nfs/dbraw/zinc/38/75/58/1025387558.db2.gz JYQMFXGFXRXKNP-UHFFFAOYSA-N -1 3 335.372 3.554 20 0 EHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc3[nH]ccc3cc2C)cc1C ZINC000436192579 1025463264 /nfs/dbraw/zinc/46/32/64/1025463264.db2.gz UZCXAPNVUAORCE-UHFFFAOYSA-N -1 3 344.436 3.903 20 0 EHADHM CC(C)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c1 ZINC000521567689 1025473657 /nfs/dbraw/zinc/47/36/57/1025473657.db2.gz OHYCIWMCXQAIIA-CYBMUJFWSA-N -1 3 331.437 3.934 20 0 EHADHM Cc1nc([C@H]2CCCO2)sc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000342454522 1025600127 /nfs/dbraw/zinc/60/01/27/1025600127.db2.gz XGOIQDCNRHZZKI-GFCCVEGCSA-N -1 3 338.816 3.914 20 0 EHADHM CCc1cccc(C(=O)N[C@@H](C)c2ccc(Br)cn2)c1[O-] ZINC000530304052 1025622536 /nfs/dbraw/zinc/62/25/36/1025622536.db2.gz SAXIMEVCLYGPQI-JTQLQIEISA-N -1 3 349.228 3.603 20 0 EHADHM CCc1ccc(C(=O)N2CCC[C@@H]2Cc2cccc(OC)c2)c([O-])c1 ZINC000530326122 1025661852 /nfs/dbraw/zinc/66/18/52/1025661852.db2.gz XWYVSGVMCIFGCW-QGZVFWFLSA-N -1 3 339.435 3.811 20 0 EHADHM CCc1ccc(C(=O)N2CCC[C@H](CC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000530337711 1025675822 /nfs/dbraw/zinc/67/58/22/1025675822.db2.gz IGIDLGSZCAWKGD-OAHLLOKOSA-N -1 3 347.455 3.539 20 0 EHADHM CCN(Cc1csc(-c2ccccn2)n1)C1CCC(C(=O)[O-])CC1 ZINC000515870064 1025695208 /nfs/dbraw/zinc/69/52/08/1025695208.db2.gz KDULHOARCSGYAU-UHFFFAOYSA-N -1 3 345.468 3.670 20 0 EHADHM Cc1csc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000451271826 1025742422 /nfs/dbraw/zinc/74/24/22/1025742422.db2.gz FEMJJCRVMQNTRT-QWRGUYRKSA-N -1 3 341.420 3.704 20 0 EHADHM COc1ccc([O-])c(-c2nc(CCn3ccc4ccccc43)no2)c1 ZINC000436535908 1025844625 /nfs/dbraw/zinc/84/46/25/1025844625.db2.gz UNNPNNDHMIEBGC-UHFFFAOYSA-N -1 3 335.363 3.648 20 0 EHADHM Cc1nn(C)c(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])c1C ZINC000436556870 1025861320 /nfs/dbraw/zinc/86/13/20/1025861320.db2.gz RMRBBYIQYNOABW-UHFFFAOYSA-N -1 3 337.379 3.787 20 0 EHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000451359354 1025865524 /nfs/dbraw/zinc/86/55/24/1025865524.db2.gz IQRSVARXJQTDLD-GOEBONIOSA-N -1 3 331.362 3.665 20 0 EHADHM COc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c([O-])c1 ZINC000436557689 1025865687 /nfs/dbraw/zinc/86/56/87/1025865687.db2.gz VGWUDWOLTZDNOD-BHIYHBOVSA-N -1 3 337.419 3.809 20 0 EHADHM CCOCCOCc1cccc(NC(=O)c2cc(CC)ccc2[O-])c1 ZINC000436566575 1025894569 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ZINC000104367121 1037265286 /nfs/dbraw/zinc/26/52/86/1037265286.db2.gz BWGITQZWJBIBKF-UHFFFAOYSA-N -1 3 347.378 3.790 20 0 EHADHM CCc1ccc([O-])c(C(=O)N(CCc2cccc(F)c2)C2CC2)c1 ZINC000539843176 1037271726 /nfs/dbraw/zinc/27/17/26/1037271726.db2.gz SBCKSQNDTBMWNV-UHFFFAOYSA-N -1 3 327.399 3.941 20 0 EHADHM CC(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)c1cccnc1 ZINC000177018600 1037328825 /nfs/dbraw/zinc/32/88/25/1037328825.db2.gz MTEKDBDBLOAYCA-LBPRGKRZSA-N -1 3 344.889 3.515 20 0 EHADHM O=C(/C=C\c1ccc(SC(F)F)cc1)[N-]O[C@H]1CCCCO1 ZINC000491421617 1037465642 /nfs/dbraw/zinc/46/56/42/1037465642.db2.gz UJSXVPBJECLDMB-PIZKADEWSA-N -1 3 329.368 3.589 20 0 EHADHM CC(=O)c1cccc(NC(=O)Cc2csc3ccccc23)c1[O-] ZINC000573877002 1037793220 /nfs/dbraw/zinc/79/32/20/1037793220.db2.gz LFKSNMABKQDYFR-UHFFFAOYSA-N -1 3 325.389 3.991 20 0 EHADHM CCc1cc(=O)[n-]c(CN[C@H](COc2ccccc2)c2ccccc2)n1 ZINC000540418731 1037922209 /nfs/dbraw/zinc/92/22/09/1037922209.db2.gz LPFCCWLHRGXFTR-LJQANCHMSA-N -1 3 349.434 3.655 20 0 EHADHM Cc1ccc(-c2nc(NC(=O)c3cc(C)c(C)cc3Cl)n[n-]2)o1 ZINC000183236168 1037940575 /nfs/dbraw/zinc/94/05/75/1037940575.db2.gz IGCVDTKNKKGTOE-UHFFFAOYSA-N -1 3 330.775 3.896 20 0 EHADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2cc(Cl)ccc2Cl)o1 ZINC000492107194 1037986057 /nfs/dbraw/zinc/98/60/57/1037986057.db2.gz ONQZPAZXPXWNSF-SECBINFHSA-N -1 3 334.224 3.934 20 0 EHADHM Cc1ccc(-c2csc3[n-]c(Cn4ccnc4C)nc(=O)c23)s1 ZINC000123525328 1038032925 /nfs/dbraw/zinc/03/29/25/1038032925.db2.gz BUVIRHWZLYHNEO-UHFFFAOYSA-N -1 3 342.449 3.575 20 0 EHADHM CCOC(=O)/C=C\c1ccc(NC(=O)c2cc(C)ccc2[O-])cc1 ZINC000843659810 1038468033 /nfs/dbraw/zinc/46/80/33/1038468033.db2.gz RAWAHHQDSPJHDL-XFFZJAGNSA-N -1 3 325.364 3.529 20 0 EHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@]2(C)O)c1 ZINC000408066228 1038468887 /nfs/dbraw/zinc/46/88/87/1038468887.db2.gz WDLFTDNHDBOMSJ-QKLQHJQFSA-N -1 3 331.456 3.500 20 0 EHADHM CCc1ccc([O-])c(C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2)c1 ZINC000538743903 1038511193 /nfs/dbraw/zinc/51/11/93/1038511193.db2.gz URIDYPPCAATHNK-SFHVURJKSA-N -1 3 338.451 3.696 20 0 EHADHM CCc1cccc(C(=O)N2CCC[C@H]2c2ccc(OC)cc2)c1[O-] ZINC000538746396 1038511345 /nfs/dbraw/zinc/51/13/45/1038511345.db2.gz UHVPJIIIJBDFHQ-SFHVURJKSA-N -1 3 325.408 3.941 20 0 EHADHM CCOC(=O)c1ccc(NC(=O)[C@@H](c2ccccc2)C2CC2)c([O-])c1 ZINC000538926264 1038606651 /nfs/dbraw/zinc/60/66/51/1038606651.db2.gz FABIRIUGCQNLCJ-SFHVURJKSA-N -1 3 339.391 3.701 20 0 EHADHM Cc1ccc(S(=O)(=O)[N-][C@H](Cc2ccccc2)c2cccs2)o1 ZINC000539109305 1038701577 /nfs/dbraw/zinc/70/15/77/1038701577.db2.gz ZUFBFEPTODNZOK-OAHLLOKOSA-N -1 3 347.461 3.912 20 0 EHADHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000552069389 1038939516 /nfs/dbraw/zinc/93/95/16/1038939516.db2.gz PYCFJTZVILJDBS-QEORTHHSSA-N -1 3 333.428 3.907 20 0 EHADHM CC(C)(CNCc1c(F)ccc([O-])c1F)Oc1cc(F)cc(F)c1 ZINC000552235410 1039098692 /nfs/dbraw/zinc/09/86/92/1039098692.db2.gz FIMYEDNPOHCSNQ-UHFFFAOYSA-N -1 3 343.320 3.896 20 0 EHADHM CCOc1ccc(CCN(C)Cc2cc(C(=O)[O-])c(CC)o2)cc1 ZINC000905809295 1039113395 /nfs/dbraw/zinc/11/33/95/1039113395.db2.gz ZVLVNTZIEJPIQR-UHFFFAOYSA-N -1 3 331.412 3.613 20 0 EHADHM CC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)c1[O-] ZINC000552287553 1039139695 /nfs/dbraw/zinc/13/96/95/1039139695.db2.gz VVTXTJZHJCSPGH-VXGBXAGGSA-N -1 3 331.318 3.615 20 0 EHADHM Cc1ccc(C=Cc2nc(S[C@H](C)c3nc(C)cc(=O)[n-]3)n[nH]2)o1 ZINC000488611080 1039297472 /nfs/dbraw/zinc/29/74/72/1039297472.db2.gz QMLABSGZMLZWPG-XUIVZRPNSA-N -1 3 343.412 3.534 20 0 EHADHM CCCn1ncc(NCc2cc(=O)[n-]c(-c3ccccc3)n2)c1C1CC1 ZINC000417030399 1039339524 /nfs/dbraw/zinc/33/95/24/1039339524.db2.gz FWZXLZPXYXBINW-UHFFFAOYSA-N -1 3 349.438 3.945 20 0 EHADHM CCC1(C(=O)[N-]OCc2ccc(F)cc2Br)CCC1 ZINC000781879090 1039369386 /nfs/dbraw/zinc/36/93/86/1039369386.db2.gz HLFFWZZEPUPNIA-UHFFFAOYSA-N -1 3 330.197 3.716 20 0 EHADHM CCc1cccc(C(=O)N2CC[C@@H](c3ccc4cccnc4n3)C2)c1[O-] ZINC000898651161 1039370646 /nfs/dbraw/zinc/37/06/46/1039370646.db2.gz HINZKAITSFHERE-MRXNPFEDSA-N -1 3 347.418 3.528 20 0 EHADHM CCCCc1nc(NC(=O)[C@@H](C)c2ccccc2)c(C(=O)OCC)[n-]1 ZINC000485702676 1039427364 /nfs/dbraw/zinc/42/73/64/1039427364.db2.gz QICHISYNKKDFGU-ZDUSSCGKSA-N -1 3 343.427 3.671 20 0 EHADHM COc1ccc(S(=O)(=O)[N-]c2ccccc2N(C)C(C)C)c(C)c1 ZINC000500821520 1039545750 /nfs/dbraw/zinc/54/57/50/1039545750.db2.gz FNXVGPVXPWCQMF-UHFFFAOYSA-N -1 3 348.468 3.649 20 0 EHADHM C[C@H](NC(=O)c1cc2sccc2c([O-])c1)c1cc2n(n1)CCCC2 ZINC000912033880 1039635715 /nfs/dbraw/zinc/63/57/15/1039635715.db2.gz ONUNJCDJGHNTJL-NSHDSACASA-N -1 3 341.436 3.631 20 0 EHADHM O=C([N-]Cc1ccccc1OCc1ccccc1)C(F)(F)C(F)F ZINC000310361913 1039826798 /nfs/dbraw/zinc/82/67/98/1039826798.db2.gz TXNSHKKWHZSNJX-UHFFFAOYSA-N -1 3 341.304 3.782 20 0 EHADHM CC(C)CCn1ncc([N-]S(=O)(=O)CCC2CC2)c1C(C)C ZINC000486105903 1039885060 /nfs/dbraw/zinc/88/50/60/1039885060.db2.gz DPSJTGDCGQMNNO-UHFFFAOYSA-N -1 3 327.494 3.594 20 0 EHADHM C[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC(C)(C)O1 ZINC000110224687 1039958956 /nfs/dbraw/zinc/95/89/56/1039958956.db2.gz XFXNQJREQPVJEU-OAHLLOKOSA-N -1 3 339.435 3.623 20 0 EHADHM CC(C)(CCCNCc1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC000417576055 1040035473 /nfs/dbraw/zinc/03/54/73/1040035473.db2.gz YWNLPIRJQNPHSF-UHFFFAOYSA-N -1 3 337.313 3.705 20 0 EHADHM CCCn1cc(CN[C@]2(C(=O)[O-])C[C@H](C(C)C)c3ccccc32)cn1 ZINC000417592367 1040046712 /nfs/dbraw/zinc/04/67/12/1040046712.db2.gz TZKWNFUBTMWHQH-YLJYHZDGSA-N -1 3 341.455 3.506 20 0 EHADHM O=C([O-])[C@H]1C[C@@H](NCc2ccccc2OCC2CC2)c2ccccc21 ZINC000417632942 1040094983 /nfs/dbraw/zinc/09/49/83/1040094983.db2.gz TYEITDOZPTZGIC-RBUKOAKNSA-N -1 3 337.419 3.878 20 0 EHADHM CC(C)=CCSC[C@@H](NCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000417626565 1040105214 /nfs/dbraw/zinc/10/52/14/1040105214.db2.gz OASNKBHAXSTELR-CQSZACIVSA-N -1 3 331.840 3.721 20 0 EHADHM CCO[C@H]1C[C@H](NC(=O)c2cc([O-])c3ccccc3c2)C12CCC2 ZINC000332907513 1040186724 /nfs/dbraw/zinc/18/67/24/1040186724.db2.gz SYUAFCDTWUYGEJ-ROUUACIJSA-N -1 3 325.408 3.623 20 0 EHADHM CCOc1ccc([N-]C(=O)c2ocnc2C(F)F)c2ncccc12 ZINC001267878756 1040236159 /nfs/dbraw/zinc/23/61/59/1040236159.db2.gz CJRWBWMZCXBOHQ-UHFFFAOYSA-N -1 3 333.294 3.811 20 0 EHADHM Cc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1Br ZINC000152139947 1040364876 /nfs/dbraw/zinc/36/48/76/1040364876.db2.gz ZIIBKTWCDBMVSK-UHFFFAOYSA-N -1 3 344.205 3.697 20 0 EHADHM C[C@H]1CCN(C(=O)c2nnc3ccccc3c2[O-])[C@H]1c1ccccc1 ZINC000899375681 1040392614 /nfs/dbraw/zinc/39/26/14/1040392614.db2.gz MGAKRUXQDNVMGE-SCLBCKFNSA-N -1 3 333.391 3.559 20 0 EHADHM O=C1[N-]C(=O)C(=CNc2cccc(OC3CCCC3)c2)c2ccccc21 ZINC000912977076 1040497385 /nfs/dbraw/zinc/49/73/85/1040497385.db2.gz BSMGTWQFUKELMF-CPNJWEJPSA-N -1 3 348.402 3.731 20 0 EHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCCC(F)(F)C3)nc2)n1 ZINC000486878950 1040521722 /nfs/dbraw/zinc/52/17/22/1040521722.db2.gz KJOAQGLTYSUTBN-CYBMUJFWSA-N -1 3 334.370 3.796 20 0 EHADHM CCOC(=O)c1ccc(NC(=O)c2cc(F)ccc2Cl)c([O-])c1 ZINC000490793016 1040743130 /nfs/dbraw/zinc/74/31/30/1040743130.db2.gz KVUVCPGDHOXOIU-UHFFFAOYSA-N -1 3 337.734 3.614 20 0 EHADHM O=C(CCc1ccc(-c2ccccc2)o1)[N-]OCCC(F)(F)F ZINC000162610174 1040773519 /nfs/dbraw/zinc/77/35/19/1040773519.db2.gz PALLZUPZNYGNCA-UHFFFAOYSA-N -1 3 327.302 3.879 20 0 EHADHM O=C([N-]c1ccccc1SC1CCCC1)c1ccnc2n[nH]nc21 ZINC000555552780 1040805206 /nfs/dbraw/zinc/80/52/06/1040805206.db2.gz IJROMMIDFQTUPY-UHFFFAOYSA-N -1 3 339.424 3.640 20 0 EHADHM CC(C)Oc1c(Cl)cccc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000433355809 1041320215 /nfs/dbraw/zinc/32/02/15/1041320215.db2.gz XERUYJSKXMLZJO-UHFFFAOYSA-N -1 3 348.765 3.790 20 0 EHADHM O=C(c1cc([O-])ccc1Cl)N(Cc1ccccc1)CC(F)F ZINC000433376260 1041362620 /nfs/dbraw/zinc/36/26/20/1041362620.db2.gz ZUMKXQVVLJFSJJ-UHFFFAOYSA-N -1 3 325.742 3.953 20 0 EHADHM O=C(c1cc([O-])ccc1Cl)N(Cc1ccc(O)cc1)CC1CC1 ZINC000433380409 1041365355 /nfs/dbraw/zinc/36/53/55/1041365355.db2.gz BKCCOYADCFJZOO-UHFFFAOYSA-N -1 3 331.799 3.804 20 0 EHADHM C[C@@H]1CN(C)c2ccccc2N(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000433372997 1041367756 /nfs/dbraw/zinc/36/77/56/1041367756.db2.gz FNCFSKPLERYJBL-GFCCVEGCSA-N -1 3 330.815 3.778 20 0 EHADHM CCc1cccc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c1[O-] ZINC000614338657 1041373492 /nfs/dbraw/zinc/37/34/92/1041373492.db2.gz ZNQIESQNKGVKSG-FDPIWHGQSA-N -1 3 345.483 3.746 20 0 EHADHM CSc1ccccc1[N-]C(=O)c1csc(-c2ncccn2)n1 ZINC000047196718 1041476741 /nfs/dbraw/zinc/47/67/41/1041476741.db2.gz JBPMYYQRKWFKIE-UHFFFAOYSA-N -1 3 328.422 3.574 20 0 EHADHM O=c1cc(CN(Cc2cccs2)C2CC2)c2ccc([O-])cc2o1 ZINC000027107886 1041878859 /nfs/dbraw/zinc/87/88/59/1041878859.db2.gz MXFUFINQGWEPBA-UHFFFAOYSA-N -1 3 327.405 3.725 20 0 EHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(C)cc(C)c3)c2)n1 ZINC000049302169 1041993203 /nfs/dbraw/zinc/99/32/03/1041993203.db2.gz HTOIQTJMEKPCRZ-UHFFFAOYSA-N -1 3 347.418 3.868 20 0 EHADHM C[C@@]1(COC(=O)CCCc2ccc([O-])c(F)c2)CC1(Cl)Cl ZINC000837662184 1042259550 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O=C(Nc1cccc(-c2nn[n-]n2)c1)c1sccc1-c1ccccc1 ZINC000070730813 1130528943 /nfs/dbraw/zinc/52/89/43/1130528943.db2.gz NTRLYZQFEUGMIT-UHFFFAOYSA-N -1 3 347.403 3.848 20 0 EHADHM CC1(C)CN(C(=O)c2cc([O-])c3ccccc3c2)[C@@H]1[C@@H]1CCCO1 ZINC000290555255 1130637396 /nfs/dbraw/zinc/63/73/96/1130637396.db2.gz JQTNSXAFVJBAGQ-ZWKOTPCHSA-N -1 3 325.408 3.575 20 0 EHADHM O=C(OCc1ccc(Cl)nc1)c1cccc(Br)c1[O-] ZINC000730367642 1130704962 /nfs/dbraw/zinc/70/49/62/1130704962.db2.gz NTOHECOIPMJGBA-UHFFFAOYSA-N -1 3 342.576 3.560 20 0 EHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(C)c2)cc1Cl ZINC000731782435 1130846313 /nfs/dbraw/zinc/84/63/13/1130846313.db2.gz FDLSOSUPUIIXCF-UHFFFAOYSA-N -1 3 338.860 3.824 20 0 EHADHM Cc1c2ccccc2oc1[C@H](C)NC(=O)c1nnc2ccccc2c1[O-] ZINC000731896377 1130858006 /nfs/dbraw/zinc/85/80/06/1130858006.db2.gz HQIACIUXWLGEEL-LBPRGKRZSA-N -1 3 347.374 3.881 20 0 EHADHM CCc1nc([C@@H](C)[N-]C(=O)C(F)(F)c2ccc(F)cc2)cs1 ZINC000732031500 1130879379 /nfs/dbraw/zinc/87/93/79/1130879379.db2.gz 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CC[C@@H](OC(=O)c1ccc(NC(=O)OC)c([O-])c1)c1ccccc1 ZINC000745652150 1132289098 /nfs/dbraw/zinc/28/90/98/1132289098.db2.gz GWIWEKIJZVYWPC-MRXNPFEDSA-N -1 3 329.352 3.879 20 0 EHADHM CC(C)(C)OC(=O)c1c([N-]c2cn[nH]c2)onc1-c1ccccc1 ZINC001174295130 1132300379 /nfs/dbraw/zinc/30/03/79/1132300379.db2.gz NQGXHLVKLXBYLD-UHFFFAOYSA-N -1 3 326.356 3.764 20 0 EHADHM COc1cccc(F)c1C(=O)[N-]c1nnc(C2CCCCC2)s1 ZINC000746152274 1132385830 /nfs/dbraw/zinc/38/58/30/1132385830.db2.gz MJDNJDXCUYNNSE-UHFFFAOYSA-N -1 3 335.404 3.986 20 0 EHADHM Cc1ccc(C(=O)[O-])cc1Nc1cccc2c1OCC[C@H]2N(C)C ZINC001174984358 1132535609 /nfs/dbraw/zinc/53/56/09/1132535609.db2.gz LNSHOWWLQWPKNU-QGZVFWFLSA-N -1 3 326.396 3.822 20 0 EHADHM CON(C)C(=O)c1c(Cl)cccc1Nc1c(F)cc([O-])cc1F ZINC001175099408 1132552839 /nfs/dbraw/zinc/55/28/39/1132552839.db2.gz FKROKYINODVJJF-UHFFFAOYSA-N -1 3 342.729 3.701 20 0 EHADHM [O-]c1cc(F)c(Nc2ccc(N3CCOCC3)c(Cl)c2)c(F)c1 ZINC001175100308 1132552923 /nfs/dbraw/zinc/55/29/23/1132552923.db2.gz PFLXLCDUXIBYDT-UHFFFAOYSA-N -1 3 340.757 3.904 20 0 EHADHM CCOc1cc(Nc2ccc(C(N)=O)c([O-])c2)cc(C(F)(F)F)c1 ZINC001175140312 1132579792 /nfs/dbraw/zinc/57/97/92/1132579792.db2.gz OJTWZNBMYHHZBU-UHFFFAOYSA-N -1 3 340.301 3.652 20 0 EHADHM COC(=O)CCc1ccc(Nc2c(F)ccc([O-])c2F)cc1F ZINC001175271617 1132625439 /nfs/dbraw/zinc/62/54/39/1132625439.db2.gz XSXQKXQMLKPSGX-UHFFFAOYSA-N -1 3 325.286 3.659 20 0 EHADHM CCOC(=O)c1scnc1[N-]c1c(F)c(F)c(F)c(F)c1F ZINC001175383886 1132656398 /nfs/dbraw/zinc/65/63/98/1132656398.db2.gz UBKKBUHJYADGPF-UHFFFAOYSA-N -1 3 338.257 3.759 20 0 EHADHM Fc1cc(Nc2ccc(-c3nn[n-]n3)cc2)ccc1Br ZINC001175428412 1132665673 /nfs/dbraw/zinc/66/56/73/1132665673.db2.gz IAJMNZVICRDCIC-UHFFFAOYSA-N -1 3 334.152 3.512 20 0 EHADHM Cc1cc(Br)cc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175429021 1132665748 /nfs/dbraw/zinc/66/57/48/1132665748.db2.gz FTPFKPMDZZHCRU-UHFFFAOYSA-N -1 3 330.189 3.681 20 0 EHADHM Clc1cc(Cl)c(Nc2ccc(-c3nn[n-]n3)cc2)nc1Cl ZINC001175427894 1132665759 /nfs/dbraw/zinc/66/57/59/1132665759.db2.gz RULHEBIQIXHTMV-UHFFFAOYSA-N -1 3 341.589 3.966 20 0 EHADHM Cc1cc(Nc2ccc(-c3nn[n-]n3)cc2)c(F)cc1Br ZINC001175429214 1132666839 /nfs/dbraw/zinc/66/68/39/1132666839.db2.gz RODDPKOXILUEAR-UHFFFAOYSA-N -1 3 348.179 3.820 20 0 EHADHM Nc1ccc(Oc2ccccc2)cc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175430125 1132667128 /nfs/dbraw/zinc/66/71/28/1132667128.db2.gz GJGSYLUEFWKCMH-UHFFFAOYSA-N -1 3 344.378 3.985 20 0 EHADHM Clc1nc2cc(Nc3ccc(-c4nn[n-]n4)cc3)ccc2s1 ZINC001175429831 1132667236 /nfs/dbraw/zinc/66/72/36/1132667236.db2.gz QSMAFOOOSREZPS-UHFFFAOYSA-N -1 3 328.788 3.873 20 0 EHADHM COc1ccc(-c2ccccc2Nc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001175432013 1132668274 /nfs/dbraw/zinc/66/82/74/1132668274.db2.gz PLOCJQITNKGUCO-UHFFFAOYSA-N -1 3 344.378 3.681 20 0 EHADHM C[S@](=O)c1ccc(Nc2cccc([O-])c2Br)cc1 ZINC001175485377 1132681304 /nfs/dbraw/zinc/68/13/04/1132681304.db2.gz ZLQIIQAHFOCZML-SFHVURJKSA-N -1 3 326.215 3.636 20 0 EHADHM [O-]c1cc(Nc2ccc(OCC3CCOCC3)nc2)ccc1Cl ZINC001212589413 1132730377 /nfs/dbraw/zinc/73/03/77/1132730377.db2.gz KFWPDUYKMSTYEU-UHFFFAOYSA-N -1 3 334.803 3.990 20 0 EHADHM FC(F)(F)Oc1cccc2c1CC[C@@H]2Nc1ccc(=S)[n-]n1 ZINC001169355779 1132740885 /nfs/dbraw/zinc/74/08/85/1132740885.db2.gz HPZXLNXFBHVHSY-JTQLQIEISA-N -1 3 327.331 3.763 20 0 EHADHM C[C@@H](CCSc1ccccc1)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001175862014 1132787257 /nfs/dbraw/zinc/78/72/57/1132787257.db2.gz SZYIIQNOAQZNKB-ZDUSSCGKSA-N -1 3 341.480 3.946 20 0 EHADHM NC(=O)c1ccc(Br)cc1Nc1ccc(Cl)c([O-])c1 ZINC001212593768 1132830385 /nfs/dbraw/zinc/83/03/85/1132830385.db2.gz JGLAMBSSNQUGMO-UHFFFAOYSA-N -1 3 341.592 3.651 20 0 EHADHM [O-]c1cc(F)cnc1Nc1cccc2c1cnn2[C@@H]1CCCCO1 ZINC001176314241 1132911894 /nfs/dbraw/zinc/91/18/94/1132911894.db2.gz KLPJZQGIKJKDGR-INIZCTEOSA-N -1 3 328.347 3.719 20 0 EHADHM CCCN1CCc2c(N)sc(Nc3csc(C(=O)[O-])c3)c2C1 ZINC001176435254 1132928458 /nfs/dbraw/zinc/92/84/58/1132928458.db2.gz ALMDRQYRCYZCTM-UHFFFAOYSA-N -1 3 337.470 3.602 20 0 EHADHM O=C(NCc1cncc(F)c1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001177544663 1133079111 /nfs/dbraw/zinc/07/91/11/1133079111.db2.gz INCOTELKXSIIDK-UHFFFAOYSA-N -1 3 338.338 3.649 20 0 EHADHM COC(=O)Nc1ccc(C(=O)OCc2cc3ccccc3o2)cc1[O-] ZINC000768038321 1133083231 /nfs/dbraw/zinc/08/32/31/1133083231.db2.gz APHBHHHUSTWUEI-UHFFFAOYSA-N -1 3 341.319 3.674 20 0 EHADHM Cc1cc2sc(NC(=O)Cc3ccc([O-])c(F)c3)nc2cc1F ZINC001156632637 1133117147 /nfs/dbraw/zinc/11/71/47/1133117147.db2.gz GJGLYTMEVDQFNP-UHFFFAOYSA-N -1 3 334.347 3.770 20 0 EHADHM COc1ccccc1-c1[nH]nc(NC(=O)c2cc(C)ccc2[O-])c1C ZINC001180887471 1133419804 /nfs/dbraw/zinc/41/98/04/1133419804.db2.gz SPDWCOQNDMUGDI-UHFFFAOYSA-N -1 3 337.379 3.660 20 0 EHADHM CSc1ccc([O-])c(C(=O)NC[C@@H](Nc2ccccc2)C(C)C)c1 ZINC001181042587 1133443755 /nfs/dbraw/zinc/44/37/55/1133443755.db2.gz OWFHKQOZZHHYCC-QGZVFWFLSA-N -1 3 344.480 3.981 20 0 EHADHM O=C([N-][C@@H]1CCCC[C@H]1O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817549967 1133533763 /nfs/dbraw/zinc/53/37/63/1133533763.db2.gz QQUNGDNMBQSBPE-VXGBXAGGSA-N -1 3 338.181 3.505 20 0 EHADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccc2[nH][n-]c(=O)c2c1 ZINC001182148109 1133579277 /nfs/dbraw/zinc/57/92/77/1133579277.db2.gz NBILKHZPZRJRQU-HACGYAERSA-N -1 3 345.443 3.684 20 0 EHADHM CN(C(=O)c1cc2sccc2c([O-])c1)[C@@H](CCO)c1ccccc1 ZINC000774065616 1133600760 /nfs/dbraw/zinc/60/07/60/1133600760.db2.gz PVOZZQFWZBFYHH-INIZCTEOSA-N -1 3 341.432 3.803 20 0 EHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)C(C)(C)c1ccccc1C ZINC001182466730 1133676076 /nfs/dbraw/zinc/67/60/76/1133676076.db2.gz FYYFYXAVVWVJTH-UHFFFAOYSA-N -1 3 345.370 3.543 20 0 EHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3ccc(C(C)C)nc3)c2)n1 ZINC000772652934 1133712796 /nfs/dbraw/zinc/71/27/96/1133712796.db2.gz YZSVORGRFKFPHE-UHFFFAOYSA-N -1 3 349.390 3.895 20 0 EHADHM CC(=O)c1cccc([O-])c1NC(=O)[C@H]1CCc2c3ccccc3[nH]c2C1 ZINC001182715133 1133723692 /nfs/dbraw/zinc/72/36/92/1133723692.db2.gz MCJODKRAZQVBDU-ZDUSSCGKSA-N -1 3 348.402 3.820 20 0 EHADHM 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C[C@H]1CCCC[C@H]1CC(=O)OCc1nnc(-c2ccccc2[O-])o1 ZINC000884472882 1137960736 /nfs/dbraw/zinc/96/07/36/1137960736.db2.gz KSTCPDAAEZGPQR-STQMWFEESA-N -1 3 330.384 3.702 20 0 EHADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@H](C2CCOCC2)C1 ZINC000886154504 1138053381 /nfs/dbraw/zinc/05/33/81/1138053381.db2.gz IRLZGAFNEGZBAB-KRWDZBQOSA-N -1 3 349.446 3.519 20 0 EHADHM CC1(C)CC[C@@H](CCNC(=O)CCCc2ccc([O-])c(F)c2)OC1 ZINC000887416363 1138314941 /nfs/dbraw/zinc/31/49/41/1138314941.db2.gz KNKFDZQMZIELJC-HNNXBMFYSA-N -1 3 337.435 3.566 20 0 EHADHM CSc1ccccc1[C@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000337066129 1138459342 /nfs/dbraw/zinc/45/93/42/1138459342.db2.gz JZGLYFPDLACHSJ-NSHDSACASA-N -1 3 334.416 3.814 20 0 EHADHM COc1cccc(C2(F)CCN([C@H](C)c3nc(C)cc(=O)[n-]3)CC2)c1 ZINC000337249392 1138508820 /nfs/dbraw/zinc/50/88/20/1138508820.db2.gz LSOGDZPCIUXWHZ-CQSZACIVSA-N -1 3 345.418 3.521 20 0 EHADHM Cc1ccc(-c2cccnc2)cc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000337571069 1138609095 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O=c1ccnc(C=Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)[n-]1 ZINC000777468194 1140422488 /nfs/dbraw/zinc/42/24/88/1140422488.db2.gz WIXDHMGZDKVTJV-UTCJRWHESA-N -1 3 346.312 3.616 20 0 EHADHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](C)c2ccc(OCC3CC3)c(F)c2)n1 ZINC000192763021 1140549082 /nfs/dbraw/zinc/54/90/82/1140549082.db2.gz GJKWBVAMDZZNHE-STQMWFEESA-N -1 3 345.418 3.830 20 0 EHADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@H](C)c1ccc(F)cc1F ZINC000195302552 1140636116 /nfs/dbraw/zinc/63/61/16/1140636116.db2.gz MEZKCHYWXUULSQ-SNVBAGLBSA-N -1 3 326.293 3.637 20 0 EHADHM CCCCO[C@@H]1C[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C1(C)C ZINC000267227456 1140769696 /nfs/dbraw/zinc/76/96/96/1140769696.db2.gz IOMWLOCKMVMZBE-QZTJIDSGSA-N -1 3 342.439 3.654 20 0 EHADHM Cc1cc(C)c(C(=O)CCCC(=O)[N-]OCc2cccnc2)c(C)c1 ZINC000269543121 1141119554 /nfs/dbraw/zinc/11/95/54/1141119554.db2.gz KSNGUGLCLQPVOW-UHFFFAOYSA-N -1 3 340.423 3.608 20 0 EHADHM CC[C@H](c1ccccc1)N(CC)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000270012443 1141167891 /nfs/dbraw/zinc/16/78/91/1141167891.db2.gz AYPPCMRDGFVURU-GOSISDBHSA-N -1 3 340.423 3.964 20 0 EHADHM CC[C@H](C)N(Cc1ccccc1)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000270065842 1141174186 /nfs/dbraw/zinc/17/41/86/1141174186.db2.gz RUXGTWNOQHJMQD-AWEZNQCLSA-N -1 3 340.423 3.792 20 0 EHADHM O=C(CCc1ccccc1OC(F)(F)F)Nc1ccccc1[O-] ZINC000067105980 215113136 /nfs/dbraw/zinc/11/31/36/215113136.db2.gz JPQNFJLGXRFIBT-UHFFFAOYSA-N -1 3 325.286 3.862 20 0 EHADHM O=C(Nc1ncccc1[O-])c1csc(-c2ccccc2Cl)n1 ZINC000072093279 216006943 /nfs/dbraw/zinc/00/69/43/216006943.db2.gz VMNIMJJPJWTPOP-UHFFFAOYSA-N -1 3 331.784 3.816 20 0 EHADHM C[C@@H](CC1CCCC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735985822 598902897 /nfs/dbraw/zinc/90/28/97/598902897.db2.gz NNVNCNNJPUJDNQ-JTQLQIEISA-N -1 3 333.823 3.675 20 0 EHADHM C[C@@H](CC1CCCC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735985822 598902899 /nfs/dbraw/zinc/90/28/99/598902899.db2.gz NNVNCNNJPUJDNQ-JTQLQIEISA-N -1 3 333.823 3.675 20 0 EHADHM CC[C@H](CC1CCCC1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736350067 598903382 /nfs/dbraw/zinc/90/33/82/598903382.db2.gz LCYDMTZFVUGBFV-DZGCQCFKSA-N -1 3 341.459 3.650 20 0 EHADHM CC[C@H](CC1CCCC1)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736350067 598903385 /nfs/dbraw/zinc/90/33/85/598903385.db2.gz LCYDMTZFVUGBFV-DZGCQCFKSA-N -1 3 341.459 3.650 20 0 EHADHM Clc1cc(NCc2coc3ccccc23)ccc1-c1nnn[n-]1 ZINC000737567174 598916079 /nfs/dbraw/zinc/91/60/79/598916079.db2.gz YEMABBCTGIGFPD-UHFFFAOYSA-N -1 3 325.759 3.878 20 0 EHADHM Clc1cc(NCc2coc3ccccc23)ccc1-c1nn[n-]n1 ZINC000737567174 598916081 /nfs/dbraw/zinc/91/60/81/598916081.db2.gz YEMABBCTGIGFPD-UHFFFAOYSA-N -1 3 325.759 3.878 20 0 EHADHM CC[C@@H](CC1CCCC1)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000736349417 598923130 /nfs/dbraw/zinc/92/31/30/598923130.db2.gz GTZOYNGIKMWGKV-AWEZNQCLSA-N -1 3 328.416 3.516 20 0 EHADHM CC[C@@H](CC1CCCC1)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000736349417 598923132 /nfs/dbraw/zinc/92/31/32/598923132.db2.gz GTZOYNGIKMWGKV-AWEZNQCLSA-N -1 3 328.416 3.516 20 0 EHADHM Cc1nc2ccc(Nc3ncc(-c4nnn[n-]4)cc3Cl)cc2s1 ZINC000737486531 598936039 /nfs/dbraw/zinc/93/60/39/598936039.db2.gz CKSAQMUMNPGWIE-UHFFFAOYSA-N -1 3 343.803 3.577 20 0 EHADHM Cc1nc2ccc(Nc3ncc(-c4nn[n-]n4)cc3Cl)cc2s1 ZINC000737486531 598936040 /nfs/dbraw/zinc/93/60/40/598936040.db2.gz CKSAQMUMNPGWIE-UHFFFAOYSA-N -1 3 343.803 3.577 20 0 EHADHM CC(C)C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000524852682 598938673 /nfs/dbraw/zinc/93/86/73/598938673.db2.gz LOGZUABFZZLRAC-QGZVFWFLSA-N -1 3 335.411 3.635 20 0 EHADHM CC(C)C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000524852682 598938675 /nfs/dbraw/zinc/93/86/75/598938675.db2.gz LOGZUABFZZLRAC-QGZVFWFLSA-N -1 3 335.411 3.635 20 0 EHADHM C[C@@H]1CCC[C@@H](CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000736254415 599046263 /nfs/dbraw/zinc/04/62/63/599046263.db2.gz ZICURPIMIGTSAM-NXEZZACHSA-N -1 3 340.353 3.519 20 0 EHADHM C[C@@H]1CCC[C@@H](CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000736254415 599046266 /nfs/dbraw/zinc/04/62/66/599046266.db2.gz ZICURPIMIGTSAM-NXEZZACHSA-N -1 3 340.353 3.519 20 0 EHADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1F)Oc1cccc(Cl)c1 ZINC000820275071 599063832 /nfs/dbraw/zinc/06/38/32/599063832.db2.gz MZROSZJCOPJPSD-JTQLQIEISA-N -1 3 347.781 3.539 20 0 EHADHM Cc1ccc([C@@H]2CCCCN2C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737332941 599083770 /nfs/dbraw/zinc/08/37/70/599083770.db2.gz YRRBPMYQRNEXBO-SFHVURJKSA-N -1 3 347.422 3.543 20 0 EHADHM Cc1ccc([C@@H]2CCCCN2C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737332941 599083772 /nfs/dbraw/zinc/08/37/72/599083772.db2.gz YRRBPMYQRNEXBO-SFHVURJKSA-N -1 3 347.422 3.543 20 0 EHADHM Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737332431 599083446 /nfs/dbraw/zinc/08/34/46/599083446.db2.gz WAAQYDIUWRZHAQ-SFHVURJKSA-N -1 3 347.422 3.543 20 0 EHADHM Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737332431 599083449 /nfs/dbraw/zinc/08/34/49/599083449.db2.gz WAAQYDIUWRZHAQ-SFHVURJKSA-N -1 3 347.422 3.543 20 0 EHADHM Fc1cc(-c2nnn[n-]2)ccc1SCc1cc(-c2ccco2)on1 ZINC000737645456 599170462 /nfs/dbraw/zinc/17/04/62/599170462.db2.gz YYDQOVUETZHAQM-UHFFFAOYSA-N -1 3 343.343 3.546 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1SCc1cc(-c2ccco2)on1 ZINC000737645456 599170463 /nfs/dbraw/zinc/17/04/63/599170463.db2.gz YYDQOVUETZHAQM-UHFFFAOYSA-N -1 3 343.343 3.546 20 0 EHADHM CCCCCC[C@H](C)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736443632 599181695 /nfs/dbraw/zinc/18/16/95/599181695.db2.gz AZHQEBXGXKXFLJ-UONOGXRCSA-N -1 3 329.448 3.650 20 0 EHADHM CCCCCC[C@H](C)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736443632 599181696 /nfs/dbraw/zinc/18/16/96/599181696.db2.gz AZHQEBXGXKXFLJ-UONOGXRCSA-N -1 3 329.448 3.650 20 0 EHADHM CCCCCC[C@H](CC)C(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC000736448387 599194882 /nfs/dbraw/zinc/19/48/82/599194882.db2.gz XUVGAEDZIIYQBW-ZDUSSCGKSA-N -1 3 346.431 3.777 20 0 EHADHM CCCCCC[C@H](CC)C(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC000736448387 599194884 /nfs/dbraw/zinc/19/48/84/599194884.db2.gz XUVGAEDZIIYQBW-ZDUSSCGKSA-N -1 3 346.431 3.777 20 0 EHADHM CCCC[C@H](CC)CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC000736439193 599221761 /nfs/dbraw/zinc/22/17/61/599221761.db2.gz SAFFLOUDSRURCT-ZDUSSCGKSA-N -1 3 345.447 3.810 20 0 EHADHM CCCC[C@H](CC)CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC000736439193 599221763 /nfs/dbraw/zinc/22/17/63/599221763.db2.gz SAFFLOUDSRURCT-ZDUSSCGKSA-N -1 3 345.447 3.810 20 0 EHADHM Cc1c(NC(=O)Cc2ccc3ccccc3c2)cccc1-c1nnn[n-]1 ZINC000822076654 607267165 /nfs/dbraw/zinc/26/71/65/607267165.db2.gz PUDLALCHNGXWBW-UHFFFAOYSA-N -1 3 343.390 3.510 20 0 EHADHM Cc1c(NC(=O)Cc2ccc3ccccc3c2)cccc1-c1nn[n-]n1 ZINC000822076654 607267166 /nfs/dbraw/zinc/26/71/66/607267166.db2.gz PUDLALCHNGXWBW-UHFFFAOYSA-N -1 3 343.390 3.510 20 0 EHADHM CCCc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)sc1C ZINC000821138552 607270152 /nfs/dbraw/zinc/27/01/52/607270152.db2.gz BBJSOBWTVGTIEU-UHFFFAOYSA-N -1 3 341.440 3.750 20 0 EHADHM CCCc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)sc1C ZINC000821138552 607270153 /nfs/dbraw/zinc/27/01/53/607270153.db2.gz BBJSOBWTVGTIEU-UHFFFAOYSA-N -1 3 341.440 3.750 20 0 EHADHM CCc1ccccc1C(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821492277 607309160 /nfs/dbraw/zinc/30/91/60/607309160.db2.gz KBMLLNBQOYRFMT-CQSZACIVSA-N -1 3 349.438 3.652 20 0 EHADHM CCc1ccccc1C(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821492277 607309161 /nfs/dbraw/zinc/30/91/61/607309161.db2.gz KBMLLNBQOYRFMT-CQSZACIVSA-N -1 3 349.438 3.652 20 0 EHADHM FC(F)Sc1cccc(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822737072 607316623 /nfs/dbraw/zinc/31/66/23/607316623.db2.gz PEWPWQWQNJXRFO-UHFFFAOYSA-N -1 3 333.367 3.794 20 0 EHADHM FC(F)Sc1cccc(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822737072 607316624 /nfs/dbraw/zinc/31/66/24/607316624.db2.gz PEWPWQWQNJXRFO-UHFFFAOYSA-N -1 3 333.367 3.794 20 0 EHADHM C/C=C(/C)C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820826075 607317499 /nfs/dbraw/zinc/31/74/99/607317499.db2.gz ISIZKWMJEUTMCA-BASWHVEKSA-N -1 3 336.351 3.531 20 0 EHADHM C/C=C(/C)C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820826075 607317500 /nfs/dbraw/zinc/31/75/00/607317500.db2.gz ISIZKWMJEUTMCA-BASWHVEKSA-N -1 3 336.351 3.531 20 0 EHADHM Cc1cc(NCc2cc(-c3nnn[n-]3)cs2)ccc1OC(C)C ZINC000822209682 607318810 /nfs/dbraw/zinc/31/88/10/607318810.db2.gz RQOAFCVOCJDJDL-UHFFFAOYSA-N -1 3 329.429 3.636 20 0 EHADHM Cc1cc(NCc2cc(-c3nn[n-]n3)cs2)ccc1OC(C)C ZINC000822209682 607318811 /nfs/dbraw/zinc/31/88/11/607318811.db2.gz RQOAFCVOCJDJDL-UHFFFAOYSA-N -1 3 329.429 3.636 20 0 EHADHM Fc1cccc(NC2CCC(C(F)(F)F)CC2)c1-c1nnn[n-]1 ZINC000737661848 598237326 /nfs/dbraw/zinc/23/73/26/598237326.db2.gz QKXBXPXMGPKQEC-UHFFFAOYSA-N -1 3 329.301 3.539 20 0 EHADHM Fc1cccc(NC2CCC(C(F)(F)F)CC2)c1-c1nn[n-]n1 ZINC000737661848 598237327 /nfs/dbraw/zinc/23/73/27/598237327.db2.gz QKXBXPXMGPKQEC-UHFFFAOYSA-N -1 3 329.301 3.539 20 0 EHADHM FC(F)c1nc2ccccc2c(Oc2ccccc2-c2nnn[n-]2)n1 ZINC000737638893 598274721 /nfs/dbraw/zinc/27/47/21/598274721.db2.gz JKDUKYOQDRAYCD-UHFFFAOYSA-N -1 3 340.293 3.540 20 0 EHADHM FC(F)c1nc2ccccc2c(Oc2ccccc2-c2nn[n-]n2)n1 ZINC000737638893 598274723 /nfs/dbraw/zinc/27/47/23/598274723.db2.gz JKDUKYOQDRAYCD-UHFFFAOYSA-N -1 3 340.293 3.540 20 0 EHADHM Fc1ccc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cc1 ZINC000737647459 598274867 /nfs/dbraw/zinc/27/48/67/598274867.db2.gz FBMOLVUNFFFDEP-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM CC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000736403368 598276229 /nfs/dbraw/zinc/27/62/29/598276229.db2.gz USHCXIYPAQHHJU-SNVBAGLBSA-N -1 3 325.338 3.512 20 0 EHADHM CC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000736403368 598276231 /nfs/dbraw/zinc/27/62/31/598276231.db2.gz USHCXIYPAQHHJU-SNVBAGLBSA-N -1 3 325.338 3.512 20 0 EHADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)c1c(Cl)cccc1Cl ZINC000736026219 598298637 /nfs/dbraw/zinc/29/86/37/598298637.db2.gz MZVFRKIPUQOWMI-VIFPVBQESA-N -1 3 349.225 3.784 20 0 EHADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)c1c(Cl)cccc1Cl ZINC000736026219 598298639 /nfs/dbraw/zinc/29/86/39/598298639.db2.gz MZVFRKIPUQOWMI-VIFPVBQESA-N -1 3 349.225 3.784 20 0 EHADHM Clc1ccc2c(c1Cl)CCN(c1ccc(-c3nn[n-]n3)cc1)C2 ZINC000737572649 598299156 /nfs/dbraw/zinc/29/91/56/598299156.db2.gz AIHAYDCHDUUJOB-UHFFFAOYSA-N -1 3 346.221 3.736 20 0 EHADHM CCCc1nc(CSCc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000736494439 598313486 /nfs/dbraw/zinc/31/34/86/598313486.db2.gz BPIKUWCGFSXXSH-UHFFFAOYSA-N -1 3 331.470 3.709 20 0 EHADHM CCCc1nc(CSCc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000736494439 598313488 /nfs/dbraw/zinc/31/34/88/598313488.db2.gz BPIKUWCGFSXXSH-UHFFFAOYSA-N -1 3 331.470 3.709 20 0 EHADHM FC(F)Oc1ccccc1CSCc1cccc(-c2nnn[n-]2)c1 ZINC000737638090 598313841 /nfs/dbraw/zinc/31/38/41/598313841.db2.gz CPAYBXDAYIHOTQ-UHFFFAOYSA-N -1 3 348.378 3.902 20 0 EHADHM FC(F)Oc1ccccc1CSCc1cccc(-c2nn[n-]n2)c1 ZINC000737638090 598313843 /nfs/dbraw/zinc/31/38/43/598313843.db2.gz CPAYBXDAYIHOTQ-UHFFFAOYSA-N -1 3 348.378 3.902 20 0 EHADHM CC[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000736348415 598386099 /nfs/dbraw/zinc/38/60/99/598386099.db2.gz BFZCRIWNUVWUMB-LLVKDONJSA-N -1 3 328.807 3.521 20 0 EHADHM CC[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000736348415 598386102 /nfs/dbraw/zinc/38/61/02/598386102.db2.gz BFZCRIWNUVWUMB-LLVKDONJSA-N -1 3 328.807 3.521 20 0 EHADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000735985556 598393380 /nfs/dbraw/zinc/39/33/80/598393380.db2.gz HBCOBRXYBMHTQZ-LLVKDONJSA-N -1 3 328.807 3.521 20 0 EHADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000735985556 598393382 /nfs/dbraw/zinc/39/33/82/598393382.db2.gz HBCOBRXYBMHTQZ-LLVKDONJSA-N -1 3 328.807 3.521 20 0 EHADHM c1nc(-c2ccccc2)sc1CNc1cccc(-c2nnn[n-]2)c1 ZINC000738423126 598420938 /nfs/dbraw/zinc/42/09/38/598420938.db2.gz NYZJZMPZKNLSSY-UHFFFAOYSA-N -1 3 334.408 3.602 20 0 EHADHM c1nc(-c2ccccc2)sc1CNc1cccc(-c2nn[n-]n2)c1 ZINC000738423126 598420940 /nfs/dbraw/zinc/42/09/40/598420940.db2.gz NYZJZMPZKNLSSY-UHFFFAOYSA-N -1 3 334.408 3.602 20 0 EHADHM CC(C)Oc1ccc(F)cc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735915907 598459782 /nfs/dbraw/zinc/45/97/82/598459782.db2.gz VNSUDSFDFRPELI-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM CC(C)Oc1ccc(F)cc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735915907 598459783 /nfs/dbraw/zinc/45/97/83/598459783.db2.gz VNSUDSFDFRPELI-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM CCN(C(=O)C[C@H](C)CC(C)C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502298 598494818 /nfs/dbraw/zinc/49/48/18/598494818.db2.gz LGWFLJIWSSDSHI-HUUCEWRRSA-N -1 3 343.475 3.849 20 0 EHADHM CCN(C(=O)C[C@H](C)CC(C)C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502298 598494819 /nfs/dbraw/zinc/49/48/19/598494819.db2.gz LGWFLJIWSSDSHI-HUUCEWRRSA-N -1 3 343.475 3.849 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1N[C@@H](c1ccccc1)c1ccccn1 ZINC000737639451 598592837 /nfs/dbraw/zinc/59/28/37/598592837.db2.gz BSQJKOSPJHOVHJ-SFHVURJKSA-N -1 3 346.369 3.602 20 0 EHADHM Fc1cccc(NCC2(Sc3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000737665524 598593634 /nfs/dbraw/zinc/59/36/34/598593634.db2.gz ROKINHXGNUPXKS-UHFFFAOYSA-N -1 3 341.415 3.743 20 0 EHADHM Fc1cccc(NCC2(Sc3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000737665524 598593635 /nfs/dbraw/zinc/59/36/35/598593635.db2.gz ROKINHXGNUPXKS-UHFFFAOYSA-N -1 3 341.415 3.743 20 0 EHADHM Clc1ccc(-c2nnn[n-]2)c(N2CCC[C@H]2c2ccsc2)c1 ZINC000737570938 598635051 /nfs/dbraw/zinc/63/50/51/598635051.db2.gz MIXFOEOBZQDGMP-ZDUSSCGKSA-N -1 3 331.832 3.923 20 0 EHADHM Clc1ccc(-c2nn[n-]n2)c(N2CCC[C@H]2c2ccsc2)c1 ZINC000737570938 598635053 /nfs/dbraw/zinc/63/50/53/598635053.db2.gz MIXFOEOBZQDGMP-ZDUSSCGKSA-N -1 3 331.832 3.923 20 0 EHADHM CC(C)Oc1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000735915897 598638233 /nfs/dbraw/zinc/63/82/33/598638233.db2.gz VEVWKNWPIFRPNY-UHFFFAOYSA-N -1 3 343.818 3.919 20 0 EHADHM CC(C)Oc1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000735915897 598638235 /nfs/dbraw/zinc/63/82/35/598638235.db2.gz VEVWKNWPIFRPNY-UHFFFAOYSA-N -1 3 343.818 3.919 20 0 EHADHM Cc1ccccc1[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000737423604 598669418 /nfs/dbraw/zinc/66/94/18/598669418.db2.gz RNJAYYLBVMPFRZ-CYBMUJFWSA-N -1 3 339.830 3.822 20 0 EHADHM Cc1ccccc1[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000737423604 598669419 /nfs/dbraw/zinc/66/94/19/598669419.db2.gz RNJAYYLBVMPFRZ-CYBMUJFWSA-N -1 3 339.830 3.822 20 0 EHADHM CCCc1nc(CSCc2ccc(F)cc2-c2nnn[n-]2)cs1 ZINC000736495199 598696709 /nfs/dbraw/zinc/69/67/09/598696709.db2.gz JNCFISLHLLNGRO-UHFFFAOYSA-N -1 3 349.460 3.848 20 0 EHADHM CCCc1nc(CSCc2ccc(F)cc2-c2nn[n-]n2)cs1 ZINC000736495199 598696711 /nfs/dbraw/zinc/69/67/11/598696711.db2.gz JNCFISLHLLNGRO-UHFFFAOYSA-N -1 3 349.460 3.848 20 0 EHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCCC(C)(C)C ZINC000736479452 598736057 /nfs/dbraw/zinc/73/60/57/598736057.db2.gz KLUNJYPWGJQVBE-UHFFFAOYSA-N -1 3 343.475 3.822 20 0 EHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCCC(C)(C)C ZINC000736479452 598736059 /nfs/dbraw/zinc/73/60/59/598736059.db2.gz KLUNJYPWGJQVBE-UHFFFAOYSA-N -1 3 343.475 3.822 20 0 EHADHM CC(C)CCOC1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000735818673 598792626 /nfs/dbraw/zinc/79/26/26/598792626.db2.gz ANFDYANSGKSGJP-UHFFFAOYSA-N -1 3 349.866 3.552 20 0 EHADHM CC(C)CCOC1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000735818673 598792628 /nfs/dbraw/zinc/79/26/28/598792628.db2.gz ANFDYANSGKSGJP-UHFFFAOYSA-N -1 3 349.866 3.552 20 0 EHADHM Fc1cccc2c1CC[C@H]2Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000737664702 598794687 /nfs/dbraw/zinc/79/46/87/598794687.db2.gz NGPKYJGJDJDJNC-CQSZACIVSA-N -1 3 329.766 3.759 20 0 EHADHM Fc1cccc2c1CC[C@H]2Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000737664702 598794688 /nfs/dbraw/zinc/79/46/88/598794688.db2.gz NGPKYJGJDJDJNC-CQSZACIVSA-N -1 3 329.766 3.759 20 0 EHADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(S[C@H](C)C(C)C)n1 ZINC000737244738 598803286 /nfs/dbraw/zinc/80/32/86/598803286.db2.gz KWABHFSLFXZIBL-MRVPVSSYSA-N -1 3 331.367 3.726 20 0 EHADHM C[C@@H](c1ccc(Cl)cc1Cl)N(C)c1ncccc1-c1nnn[n-]1 ZINC000736198857 598814051 /nfs/dbraw/zinc/81/40/51/598814051.db2.gz LBKIQEDVGHWYSF-VIFPVBQESA-N -1 3 349.225 3.766 20 0 EHADHM C[C@@H](c1ccc(Cl)cc1Cl)N(C)c1ncccc1-c1nn[n-]n1 ZINC000736198857 598814052 /nfs/dbraw/zinc/81/40/52/598814052.db2.gz LBKIQEDVGHWYSF-VIFPVBQESA-N -1 3 349.225 3.766 20 0 EHADHM CC[C@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1OC ZINC000736367790 598814065 /nfs/dbraw/zinc/81/40/65/598814065.db2.gz CQEQCRBCBYJLFN-AWEZNQCLSA-N -1 3 327.363 3.578 20 0 EHADHM Fc1ccc(C(F)(F)F)cc1C=Cc1ccc(-c2nnn[n-]2)cn1 ZINC000737650006 598820971 /nfs/dbraw/zinc/82/09/71/598820971.db2.gz MOGLVXDELNUATE-RJRFIUFISA-N -1 3 335.264 3.590 20 0 EHADHM Fc1ccc(C(F)(F)F)cc1C=Cc1ccc(-c2nn[n-]n2)cn1 ZINC000737650006 598820972 /nfs/dbraw/zinc/82/09/72/598820972.db2.gz MOGLVXDELNUATE-RJRFIUFISA-N -1 3 335.264 3.590 20 0 EHADHM Cc1ccc(-c2nc(CNc3ccc(-c4nn[n-]n4)cc3)cs2)o1 ZINC000737288956 599323671 /nfs/dbraw/zinc/32/36/71/599323671.db2.gz QIYMOOGMWFYLCW-UHFFFAOYSA-N -1 3 338.396 3.504 20 0 EHADHM C[C@@H](OCCCNc1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000820518770 599326091 /nfs/dbraw/zinc/32/60/91/599326091.db2.gz KNHHXUOMDFIFFW-CYBMUJFWSA-N -1 3 341.390 3.586 20 0 EHADHM C[C@@H](OCCCNc1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000820518770 599326094 /nfs/dbraw/zinc/32/60/94/599326094.db2.gz KNHHXUOMDFIFFW-CYBMUJFWSA-N -1 3 341.390 3.586 20 0 EHADHM Cc1cc(NCc2ccccc2-c2nnn[n-]2)ccc1C(F)(F)F ZINC000737281308 599333169 /nfs/dbraw/zinc/33/31/69/599333169.db2.gz UAXAMDOORYBAHF-UHFFFAOYSA-N -1 3 333.317 3.806 20 0 EHADHM Cc1cc(NCc2ccccc2-c2nn[n-]n2)ccc1C(F)(F)F ZINC000737281308 599333172 /nfs/dbraw/zinc/33/31/72/599333172.db2.gz UAXAMDOORYBAHF-UHFFFAOYSA-N -1 3 333.317 3.806 20 0 EHADHM c1c(CSc2ccccc2-c2nnn[n-]2)onc1-c1ccccc1 ZINC000823766461 599348904 /nfs/dbraw/zinc/34/89/04/599348904.db2.gz DIAYNHULJOEXCZ-UHFFFAOYSA-N -1 3 335.392 3.814 20 0 EHADHM c1c(CSc2ccccc2-c2nn[n-]n2)onc1-c1ccccc1 ZINC000823766461 599348905 /nfs/dbraw/zinc/34/89/05/599348905.db2.gz DIAYNHULJOEXCZ-UHFFFAOYSA-N -1 3 335.392 3.814 20 0 EHADHM c1c(CSc2ccccc2-c2nnn[n-]2)noc1-c1ccccc1 ZINC000823767574 599351438 /nfs/dbraw/zinc/35/14/38/599351438.db2.gz UMDJJCXXEAMPGJ-UHFFFAOYSA-N -1 3 335.392 3.814 20 0 EHADHM c1c(CSc2ccccc2-c2nn[n-]n2)noc1-c1ccccc1 ZINC000823767574 599351440 /nfs/dbraw/zinc/35/14/40/599351440.db2.gz UMDJJCXXEAMPGJ-UHFFFAOYSA-N -1 3 335.392 3.814 20 0 EHADHM CCS[C@H]1CCCCN(c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000736667081 599437621 /nfs/dbraw/zinc/43/76/21/599437621.db2.gz UQLUMNCXFYEMCN-LBPRGKRZSA-N -1 3 337.880 3.632 20 0 EHADHM CCS[C@H]1CCCCN(c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000736667081 599437623 /nfs/dbraw/zinc/43/76/23/599437623.db2.gz UQLUMNCXFYEMCN-LBPRGKRZSA-N -1 3 337.880 3.632 20 0 EHADHM CCCCOCCCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736461629 599518780 /nfs/dbraw/zinc/51/87/80/599518780.db2.gz XKHGASYBVJEBEL-UHFFFAOYSA-N -1 3 343.353 3.504 20 0 EHADHM C[C@@H](NC(=O)CC/C=C\c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820323034 599533551 /nfs/dbraw/zinc/53/35/51/599533551.db2.gz WJNXBYUKINQWIY-WSVPDTOYSA-N -1 3 347.422 3.538 20 0 EHADHM C[C@@H](NC(=O)CC/C=C\c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820323034 599533553 /nfs/dbraw/zinc/53/35/53/599533553.db2.gz WJNXBYUKINQWIY-WSVPDTOYSA-N -1 3 347.422 3.538 20 0 EHADHM Clc1cccc(-c2nnn[n-]2)c1N1CC[C@@H](Cc2ccccc2)C1 ZINC000822582898 599579422 /nfs/dbraw/zinc/57/94/22/599579422.db2.gz ZWCUWXRBGPTHGU-AWEZNQCLSA-N -1 3 339.830 3.589 20 0 EHADHM Clc1cccc(-c2nn[n-]n2)c1N1CC[C@@H](Cc2ccccc2)C1 ZINC000822582898 599579424 /nfs/dbraw/zinc/57/94/24/599579424.db2.gz ZWCUWXRBGPTHGU-AWEZNQCLSA-N -1 3 339.830 3.589 20 0 EHADHM Cc1ccc(-c2cnc(CNc3cc(-c4nnn[n-]4)ccc3C)o2)cc1 ZINC000822213826 599691562 /nfs/dbraw/zinc/69/15/62/599691562.db2.gz CGEWGZZKERGHPJ-UHFFFAOYSA-N -1 3 346.394 3.751 20 0 EHADHM Cc1ccc(-c2cnc(CNc3cc(-c4nn[n-]n4)ccc3C)o2)cc1 ZINC000822213826 599691563 /nfs/dbraw/zinc/69/15/63/599691563.db2.gz CGEWGZZKERGHPJ-UHFFFAOYSA-N -1 3 346.394 3.751 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1ncc(-c2cccs2)o1 ZINC000822221354 599691606 /nfs/dbraw/zinc/69/16/06/599691606.db2.gz LLTDTLRHKCOKJG-UHFFFAOYSA-N -1 3 338.396 3.504 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1ncc(-c2cccs2)o1 ZINC000822221354 599691607 /nfs/dbraw/zinc/69/16/07/599691607.db2.gz LLTDTLRHKCOKJG-UHFFFAOYSA-N -1 3 338.396 3.504 20 0 EHADHM COc1ccc([C@@H](NCc2ccc(C(F)(F)F)cc2)C(=O)[O-])cc1 ZINC000737973185 599860679 /nfs/dbraw/zinc/86/06/79/599860679.db2.gz YNBPLRWXMOLFMK-OAHLLOKOSA-N -1 3 339.313 3.630 20 0 EHADHM O=C([O-])N1CCC[C@@H](NCc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000739927974 599860761 /nfs/dbraw/zinc/86/07/61/599860761.db2.gz SBCCOUHZGDPJMP-CQSZACIVSA-N -1 3 334.803 3.832 20 0 EHADHM O=C([O-])CN(Cc1cccc(Cl)c1)Cc1ccc(F)c(F)c1 ZINC000739796560 599866872 /nfs/dbraw/zinc/86/68/72/599866872.db2.gz XOXRFBIHUBMEGJ-UHFFFAOYSA-N -1 3 325.742 3.705 20 0 EHADHM COc1ccc([C@@H]2CCCN2Cc2ccc(F)cc2C(=O)[O-])cc1 ZINC000569251049 600082491 /nfs/dbraw/zinc/08/24/91/600082491.db2.gz HMWKNJVYFKELOC-SFHVURJKSA-N -1 3 329.371 3.870 20 0 EHADHM CC[C@@H]1CCc2ccccc2N1C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825204824 607443201 /nfs/dbraw/zinc/44/32/01/607443201.db2.gz SRKQILUOSSYHFC-MRXNPFEDSA-N -1 3 347.422 3.547 20 0 EHADHM CC[C@@H]1CCc2ccccc2N1C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825204824 607443203 /nfs/dbraw/zinc/44/32/03/607443203.db2.gz SRKQILUOSSYHFC-MRXNPFEDSA-N -1 3 347.422 3.547 20 0 EHADHM O=C([O-])c1ccc(CN2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000263571674 600440830 /nfs/dbraw/zinc/44/08/30/600440830.db2.gz JRMXUUVFAIEQRF-QGZVFWFLSA-N -1 3 341.382 3.619 20 0 EHADHM Cc1cccc(NC2CCN([C@H](C)c3ccc(C(=O)[O-])o3)CC2)c1 ZINC000738735954 600796487 /nfs/dbraw/zinc/79/64/87/600796487.db2.gz FRHUKQPNINJHBO-CQSZACIVSA-N -1 3 328.412 3.924 20 0 EHADHM C[C@@H]1C[C@@H](C)CN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC000566359870 600815528 /nfs/dbraw/zinc/81/55/28/600815528.db2.gz ZGSIQZVTOZDJNS-CHWSQXEVSA-N -1 3 330.453 3.986 20 0 EHADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1c(F)cccc1Cl ZINC000820425683 607484926 /nfs/dbraw/zinc/48/49/26/607484926.db2.gz AKYIPMSBQBNODU-SECBINFHSA-N -1 3 349.772 3.649 20 0 EHADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1c(F)cccc1Cl ZINC000820425683 607484930 /nfs/dbraw/zinc/48/49/30/607484930.db2.gz AKYIPMSBQBNODU-SECBINFHSA-N -1 3 349.772 3.649 20 0 EHADHM CCC1CCC(NCc2coc(-c3ccc(F)cc3)n2)(C(=O)[O-])CC1 ZINC000829107870 601494400 /nfs/dbraw/zinc/49/44/00/601494400.db2.gz RNTNLRAGWCJQMZ-UHFFFAOYSA-N -1 3 346.402 3.994 20 0 EHADHM CC[C@](C)(CC(=O)[O-])NCc1csc(-c2ccccc2OC)n1 ZINC000828672136 601558069 /nfs/dbraw/zinc/55/80/69/601558069.db2.gz NNNBDGANYICJSQ-QGZVFWFLSA-N -1 3 334.441 3.552 20 0 EHADHM C[C@@H](C(=O)[O-])[C@H](NCc1cnc(-c2ccccc2)nc1)c1ccccc1 ZINC000826051145 601657548 /nfs/dbraw/zinc/65/75/48/601657548.db2.gz AUQMCVWNGIHYNY-BEFAXECRSA-N -1 3 347.418 3.695 20 0 EHADHM O=C([O-])c1cc(CNC2(c3cccc(Br)c3)CCC2)c[nH]1 ZINC000833296396 601832691 /nfs/dbraw/zinc/83/26/91/601832691.db2.gz BPTONFOEOBQFLJ-UHFFFAOYSA-N -1 3 349.228 3.644 20 0 EHADHM O=C([O-])c1ccc(CN2CCC3(CC2)OCc2ccccc23)cc1F ZINC000833313272 601911380 /nfs/dbraw/zinc/91/13/80/601911380.db2.gz RGEDBMKAJVEVFP-UHFFFAOYSA-N -1 3 341.382 3.545 20 0 EHADHM C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCSC[C@H]1CC(=O)[O-] ZINC000320715304 601919738 /nfs/dbraw/zinc/91/97/38/601919738.db2.gz BSDCETNHXLDLBM-ZYHUDNBSSA-N -1 3 349.374 3.538 20 0 EHADHM COc1cc(OC)cc([C@@H](N[C@@H](C)c2cccc(C)c2C)C(=O)[O-])c1 ZINC000832049608 602172617 /nfs/dbraw/zinc/17/26/17/602172617.db2.gz JFIKXABNERNYJL-IFXJQAMLSA-N -1 3 343.423 3.797 20 0 EHADHM O=C([O-])c1cc(CN[C@H]2CC3(CCCC3)Oc3ccccc32)c[nH]1 ZINC000833296638 602233298 /nfs/dbraw/zinc/23/32/98/602233298.db2.gz NFERXSARQJSCET-INIZCTEOSA-N -1 3 326.396 3.639 20 0 EHADHM C[C@@H](CCNCc1csc(-c2ccc(Cl)cc2)n1)NC(=O)[O-] ZINC000738908948 602650802 /nfs/dbraw/zinc/65/08/02/602650802.db2.gz YSUVEQMUIRSQPB-JTQLQIEISA-N -1 3 339.848 3.599 20 0 EHADHM C[C@@H](NCc1ccc(NC(=O)[O-])nc1)c1ccc2c(c1)CCCC2 ZINC000825503704 603531874 /nfs/dbraw/zinc/53/18/74/603531874.db2.gz XJIIUPFNVWPLBZ-CYBMUJFWSA-N -1 3 325.412 3.901 20 0 EHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)c1cccc2ccccc21 ZINC000826243709 607669790 /nfs/dbraw/zinc/66/97/90/607669790.db2.gz RYCFAHLWFQAURX-UHFFFAOYSA-N -1 3 343.390 3.605 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)c1cccc2ccccc21 ZINC000826243709 607669791 /nfs/dbraw/zinc/66/97/91/607669791.db2.gz RYCFAHLWFQAURX-UHFFFAOYSA-N -1 3 343.390 3.605 20 0 EHADHM C[C@@H](NC(=O)CC1CCC(C)(C)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824479404 607693365 /nfs/dbraw/zinc/69/33/65/607693365.db2.gz MZLRMOUTVGOKKE-CYBMUJFWSA-N -1 3 341.459 3.650 20 0 EHADHM C[C@@H](NC(=O)CC1CCC(C)(C)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824479404 607693366 /nfs/dbraw/zinc/69/33/66/607693366.db2.gz MZLRMOUTVGOKKE-CYBMUJFWSA-N -1 3 341.459 3.650 20 0 EHADHM CC(C)CCOC1CCN(Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)CC1 ZINC000833483541 604589385 /nfs/dbraw/zinc/58/93/85/604589385.db2.gz BBYVVIXJPOCENY-INIZCTEOSA-N -1 3 349.471 3.566 20 0 EHADHM CC[C@@H](C)Oc1cc(CN2CCC(CCC(=O)[O-])CC2)ccc1OC ZINC000665342473 604641510 /nfs/dbraw/zinc/64/15/10/604641510.db2.gz ATAFQFYRMWKQBD-OAHLLOKOSA-N -1 3 349.471 3.949 20 0 EHADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H](Nc2ccccc2)C1 ZINC000830368908 604798697 /nfs/dbraw/zinc/79/86/97/604798697.db2.gz DZZDHZOEYUGILG-MRXNPFEDSA-N -1 3 328.412 3.617 20 0 EHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2ccc(Br)s2)C1 ZINC000135027762 604936205 /nfs/dbraw/zinc/93/62/05/604936205.db2.gz XYZZQJWMLFPWIY-SNVBAGLBSA-N -1 3 346.290 3.833 20 0 EHADHM O=C([O-])[C@H](NCc1cccc(OCc2ccccc2)c1)c1cccnc1 ZINC000833170580 604993741 /nfs/dbraw/zinc/99/37/41/604993741.db2.gz YPFVIVRTWHYSFD-HXUWFJFHSA-N -1 3 348.402 3.576 20 0 EHADHM C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCC[C@H](C(=O)[O-])C1 ZINC000565107064 605068956 /nfs/dbraw/zinc/06/89/56/605068956.db2.gz SXYCPEIGZSDAEN-YPMHNXCESA-N -1 3 334.803 3.853 20 0 EHADHM COc1cccc2c1CC[C@H]2NCc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000829582313 605119928 /nfs/dbraw/zinc/11/99/28/605119928.db2.gz ZGGQJAYFBQJMMY-FZKQIMNGSA-N -1 3 340.423 3.801 20 0 EHADHM CC(C)(C)[C@H]1CCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833424124 605430639 /nfs/dbraw/zinc/43/06/39/605430639.db2.gz HRLZWMCLFFJPEA-HNNXBMFYSA-N -1 3 328.412 3.908 20 0 EHADHM CCN(C/C(Cl)=C\Cl)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821169703 606100661 /nfs/dbraw/zinc/10/06/61/606100661.db2.gz BCMVAKIYHKMIGW-XNFYSYIQSA-N -1 3 326.231 3.569 20 0 EHADHM CCN(C/C(Cl)=C\Cl)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821169703 606100663 /nfs/dbraw/zinc/10/06/63/606100663.db2.gz BCMVAKIYHKMIGW-XNFYSYIQSA-N -1 3 326.231 3.569 20 0 EHADHM CCc1c(C)sc(NC(=O)[C@@H](C)C2CCCC2)c1-c1nnn[n-]1 ZINC000821466008 606126439 /nfs/dbraw/zinc/12/64/39/606126439.db2.gz UKJUSXBMWGLKCH-VIFPVBQESA-N -1 3 333.461 3.564 20 0 EHADHM CCc1c(C)sc(NC(=O)[C@@H](C)C2CCCC2)c1-c1nn[n-]n1 ZINC000821466008 606126440 /nfs/dbraw/zinc/12/64/40/606126440.db2.gz UKJUSXBMWGLKCH-VIFPVBQESA-N -1 3 333.461 3.564 20 0 EHADHM C[C@@H](c1ccc(Cl)cc1)[S@](=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820563003 606155921 /nfs/dbraw/zinc/15/59/21/606155921.db2.gz LCZCMRKPHXJQCM-BSNNYGBQSA-N -1 3 346.843 3.530 20 0 EHADHM C[C@@H](c1ccc(Cl)cc1)[S@](=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820563003 606155922 /nfs/dbraw/zinc/15/59/22/606155922.db2.gz LCZCMRKPHXJQCM-BSNNYGBQSA-N -1 3 346.843 3.530 20 0 EHADHM COc1cccc(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c1 ZINC000821867327 606174235 /nfs/dbraw/zinc/17/42/35/606174235.db2.gz BVUKPHDRIJXKKA-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM COc1cccc(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c1 ZINC000821867327 606174237 /nfs/dbraw/zinc/17/42/37/606174237.db2.gz BVUKPHDRIJXKKA-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM CC(C)=C(C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820005635 606282578 /nfs/dbraw/zinc/28/25/78/606282578.db2.gz UVQRZXJGXOCASF-UHFFFAOYSA-N -1 3 349.394 3.954 20 0 EHADHM CC(C)=C(C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820005635 606282580 /nfs/dbraw/zinc/28/25/80/606282580.db2.gz UVQRZXJGXOCASF-UHFFFAOYSA-N -1 3 349.394 3.954 20 0 EHADHM CC(C)=C(C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820004756 606287082 /nfs/dbraw/zinc/28/70/82/606287082.db2.gz BBIWCBQRQOHBFR-UHFFFAOYSA-N -1 3 349.394 3.954 20 0 EHADHM CC(C)=C(C)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820004756 606287084 /nfs/dbraw/zinc/28/70/84/606287084.db2.gz BBIWCBQRQOHBFR-UHFFFAOYSA-N -1 3 349.394 3.954 20 0 EHADHM c1csc(-c2cnc(CSc3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000823762108 606328132 /nfs/dbraw/zinc/32/81/32/606328132.db2.gz ISLCDJIHWBWKIH-UHFFFAOYSA-N -1 3 341.421 3.876 20 0 EHADHM c1csc(-c2cnc(CSc3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000823762108 606328134 /nfs/dbraw/zinc/32/81/34/606328134.db2.gz ISLCDJIHWBWKIH-UHFFFAOYSA-N -1 3 341.421 3.876 20 0 EHADHM Cc1cccc([C@H](C)C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822288866 606360827 /nfs/dbraw/zinc/36/08/27/606360827.db2.gz LOGYCQHMYXQVED-KBPBESRZSA-N -1 3 336.395 3.583 20 0 EHADHM Cc1cccc([C@H](C)C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822288866 606360829 /nfs/dbraw/zinc/36/08/29/606360829.db2.gz LOGYCQHMYXQVED-KBPBESRZSA-N -1 3 336.395 3.583 20 0 EHADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000822737432 606447544 /nfs/dbraw/zinc/44/75/44/606447544.db2.gz VKNIZSZLIARKCV-BDAKNGLRSA-N -1 3 347.291 3.678 20 0 EHADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000822737432 606447545 /nfs/dbraw/zinc/44/75/45/606447545.db2.gz VKNIZSZLIARKCV-BDAKNGLRSA-N -1 3 347.291 3.678 20 0 EHADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc2ccccc2c1 ZINC000820391451 606481515 /nfs/dbraw/zinc/48/15/15/606481515.db2.gz QBGWWUXZHGFBGR-LLVKDONJSA-N -1 3 349.419 3.572 20 0 EHADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc2ccccc2c1 ZINC000820391451 606481517 /nfs/dbraw/zinc/48/15/17/606481517.db2.gz QBGWWUXZHGFBGR-LLVKDONJSA-N -1 3 349.419 3.572 20 0 EHADHM CCCCc1ccc(N(C)C(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000821077577 606529969 /nfs/dbraw/zinc/52/99/69/606529969.db2.gz MEFVPYMRXKCWTA-UHFFFAOYSA-N -1 3 341.440 3.547 20 0 EHADHM CCCCc1ccc(N(C)C(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000821077577 606529970 /nfs/dbraw/zinc/52/99/70/606529970.db2.gz MEFVPYMRXKCWTA-UHFFFAOYSA-N -1 3 341.440 3.547 20 0 EHADHM c1sc(C2CCCCC2)nc1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000823743054 606657171 /nfs/dbraw/zinc/65/71/71/606657171.db2.gz RKWFJIHGOZZOBS-UHFFFAOYSA-N -1 3 340.456 3.983 20 0 EHADHM CC[C@@H](C)c1ccc(C(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000820882521 606664334 /nfs/dbraw/zinc/66/43/34/606664334.db2.gz SFQXMTGKENPNJL-SNVBAGLBSA-N -1 3 327.413 3.694 20 0 EHADHM CC[C@@H](C)c1ccc(C(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC000820882521 606664335 /nfs/dbraw/zinc/66/43/35/606664335.db2.gz SFQXMTGKENPNJL-SNVBAGLBSA-N -1 3 327.413 3.694 20 0 EHADHM Fc1ccc2oc(C(Cl)=Cc3cccc(-c4nnn[n-]4)c3)nc2c1 ZINC000822786475 606764210 /nfs/dbraw/zinc/76/42/10/606764210.db2.gz KVTWVLPNEYYQRC-KPKJPENVSA-N -1 3 341.733 3.884 20 0 EHADHM Fc1ccc2oc(C(Cl)=Cc3cccc(-c4nn[n-]n4)c3)nc2c1 ZINC000822786475 606764211 /nfs/dbraw/zinc/76/42/11/606764211.db2.gz KVTWVLPNEYYQRC-KPKJPENVSA-N -1 3 341.733 3.884 20 0 EHADHM Cc1ccc(OC(F)F)c(CNc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000822263588 606799954 /nfs/dbraw/zinc/79/99/54/606799954.db2.gz UXCQNDACNRBHDA-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM Cc1ccc(OC(F)F)c(CNc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000822263588 606799956 /nfs/dbraw/zinc/79/99/56/606799956.db2.gz UXCQNDACNRBHDA-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM C[C@@H](OC(=O)c1cccc(Cl)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513408 606924660 /nfs/dbraw/zinc/92/46/60/606924660.db2.gz ZGRRUTOZJMRNCG-SECBINFHSA-N -1 3 346.749 3.577 20 0 EHADHM C[C@@H](OC(=O)c1cccc(Cl)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513408 606924661 /nfs/dbraw/zinc/92/46/61/606924661.db2.gz ZGRRUTOZJMRNCG-SECBINFHSA-N -1 3 346.749 3.577 20 0 EHADHM FC(F)(F)c1ccc(N2CCC[C@@H]2c2ccco2)c(-c2nnn[n-]2)c1 ZINC000822723710 606937751 /nfs/dbraw/zinc/93/77/51/606937751.db2.gz LQQBODURSBPJLT-CYBMUJFWSA-N -1 3 349.316 3.820 20 0 EHADHM FC(F)(F)c1ccc(N2CCC[C@@H]2c2ccco2)c(-c2nn[n-]n2)c1 ZINC000822723710 606937752 /nfs/dbraw/zinc/93/77/52/606937752.db2.gz LQQBODURSBPJLT-CYBMUJFWSA-N -1 3 349.316 3.820 20 0 EHADHM FC(F)(F)CCCNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000822714314 606941006 /nfs/dbraw/zinc/94/10/06/606941006.db2.gz KVNBPHPBVQKIQG-UHFFFAOYSA-N -1 3 339.243 3.640 20 0 EHADHM FC(F)(F)CCCNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000822714314 606941008 /nfs/dbraw/zinc/94/10/08/606941008.db2.gz KVNBPHPBVQKIQG-UHFFFAOYSA-N -1 3 339.243 3.640 20 0 EHADHM Fc1cc(F)c(SCc2ccc(F)c(-c3nnn[n-]3)c2)c(F)c1 ZINC000822753592 607008791 /nfs/dbraw/zinc/00/87/91/607008791.db2.gz OUKALKVHSTVGDJ-UHFFFAOYSA-N -1 3 340.305 3.715 20 0 EHADHM Fc1cc(F)c(SCc2ccc(F)c(-c3nn[n-]n3)c2)c(F)c1 ZINC000822753592 607008792 /nfs/dbraw/zinc/00/87/92/607008792.db2.gz OUKALKVHSTVGDJ-UHFFFAOYSA-N -1 3 340.305 3.715 20 0 EHADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(F)ccc1F ZINC000820557506 607013560 /nfs/dbraw/zinc/01/35/60/607013560.db2.gz ZLRVTLNMRHVRHM-VIFPVBQESA-N -1 3 346.362 3.508 20 0 EHADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(F)ccc1F ZINC000820557506 607013562 /nfs/dbraw/zinc/01/35/62/607013562.db2.gz ZLRVTLNMRHVRHM-VIFPVBQESA-N -1 3 346.362 3.508 20 0 EHADHM CCCCc1nc(CSc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000821077477 607014972 /nfs/dbraw/zinc/01/49/72/607014972.db2.gz HHOCWJYOWAKIID-UHFFFAOYSA-N -1 3 331.470 3.958 20 0 EHADHM CCCCc1nc(CSc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000821077477 607014974 /nfs/dbraw/zinc/01/49/74/607014974.db2.gz HHOCWJYOWAKIID-UHFFFAOYSA-N -1 3 331.470 3.958 20 0 EHADHM CCN(C(=O)C[C@@H]1CC[C@H](C)C1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149044 607032902 /nfs/dbraw/zinc/03/29/02/607032902.db2.gz RJHVJXDWIGSOJA-SOUVJXGZSA-N -1 3 341.459 3.603 20 0 EHADHM CCN(C(=O)C[C@@H]1CC[C@H](C)C1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149044 607032903 /nfs/dbraw/zinc/03/29/03/607032903.db2.gz RJHVJXDWIGSOJA-SOUVJXGZSA-N -1 3 341.459 3.603 20 0 EHADHM Cc1nc(CSCc2cc(F)ccc2-c2nnn[n-]2)sc1C ZINC000822444208 607035050 /nfs/dbraw/zinc/03/50/50/607035050.db2.gz GVHMRUNVEXDVLX-UHFFFAOYSA-N -1 3 335.433 3.513 20 0 EHADHM Cc1nc(CSCc2cc(F)ccc2-c2nn[n-]n2)sc1C ZINC000822444208 607035052 /nfs/dbraw/zinc/03/50/52/607035052.db2.gz GVHMRUNVEXDVLX-UHFFFAOYSA-N -1 3 335.433 3.513 20 0 EHADHM FC(F)(F)c1ccc(N[C@@H]2CCCC(F)(F)C2)c(-c2nnn[n-]2)c1 ZINC000822736788 607131200 /nfs/dbraw/zinc/13/12/00/607131200.db2.gz KLBOBCSEXROOAE-SECBINFHSA-N -1 3 347.291 3.875 20 0 EHADHM FC(F)(F)c1ccc(N[C@@H]2CCCC(F)(F)C2)c(-c2nn[n-]n2)c1 ZINC000822736788 607131202 /nfs/dbraw/zinc/13/12/02/607131202.db2.gz KLBOBCSEXROOAE-SECBINFHSA-N -1 3 347.291 3.875 20 0 EHADHM C[C@H]1CCC[C@H](C)N(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820697746 607194719 /nfs/dbraw/zinc/19/47/19/607194719.db2.gz LIFIHIIUZJQCHL-QWRGUYRKSA-N -1 3 348.838 3.563 20 0 EHADHM C[C@H]1CCC[C@H](C)N(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820697746 607194720 /nfs/dbraw/zinc/19/47/20/607194720.db2.gz LIFIHIIUZJQCHL-QWRGUYRKSA-N -1 3 348.838 3.563 20 0 EHADHM CC[C@H]1CCCCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820980611 607204441 /nfs/dbraw/zinc/20/44/41/607204441.db2.gz LTGHDTIHBISPRT-LBPRGKRZSA-N -1 3 348.838 3.707 20 0 EHADHM CC[C@H]1CCCCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820980611 607204442 /nfs/dbraw/zinc/20/44/42/607204442.db2.gz LTGHDTIHBISPRT-LBPRGKRZSA-N -1 3 348.838 3.707 20 0 EHADHM CCN(C(=O)CC(C)(C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367251 607798117 /nfs/dbraw/zinc/79/81/17/607798117.db2.gz LXXHTYKFIWKVMD-UHFFFAOYSA-N -1 3 349.438 3.588 20 0 EHADHM CCN(C(=O)CC(C)(C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367251 607798118 /nfs/dbraw/zinc/79/81/18/607798118.db2.gz LXXHTYKFIWKVMD-UHFFFAOYSA-N -1 3 349.438 3.588 20 0 EHADHM CCC(CC)[C@@H](C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000825096743 608058232 /nfs/dbraw/zinc/05/82/32/608058232.db2.gz QGNZCOURDKLFKX-GFCCVEGCSA-N -1 3 345.447 3.665 20 0 EHADHM CCC(CC)[C@@H](C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000825096743 608058233 /nfs/dbraw/zinc/05/82/33/608058233.db2.gz QGNZCOURDKLFKX-GFCCVEGCSA-N -1 3 345.447 3.665 20 0 EHADHM CC(C)(C)[C@H]1C[C@@H](Nc2ccc(Cl)cc2-c2nnn[n-]2)CCO1 ZINC000824077431 608149407 /nfs/dbraw/zinc/14/94/07/608149407.db2.gz BEMRAORVCNCYJE-SMDDNHRTSA-N -1 3 335.839 3.526 20 0 EHADHM CC(C)(C)[C@H]1C[C@@H](Nc2ccc(Cl)cc2-c2nn[n-]n2)CCO1 ZINC000824077431 608149409 /nfs/dbraw/zinc/14/94/09/608149409.db2.gz BEMRAORVCNCYJE-SMDDNHRTSA-N -1 3 335.839 3.526 20 0 EHADHM c1c2ccccc2[nH]c1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826522628 608225970 /nfs/dbraw/zinc/22/59/70/608225970.db2.gz IGYPLJVDRPGROO-UHFFFAOYSA-N -1 3 341.378 3.508 20 0 EHADHM c1c2ccccc2[nH]c1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826522628 608225972 /nfs/dbraw/zinc/22/59/72/608225972.db2.gz IGYPLJVDRPGROO-UHFFFAOYSA-N -1 3 341.378 3.508 20 0 EHADHM Cc1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)cc1Br ZINC000826285710 608473959 /nfs/dbraw/zinc/47/39/59/608473959.db2.gz HSHMLTOWKLWWQF-GQCTYLIASA-N -1 3 342.200 3.503 20 0 EHADHM Cc1ccc(C=Cc2ccc(-c3nn[n-]n3)cn2)cc1Br ZINC000826285710 608473961 /nfs/dbraw/zinc/47/39/61/608473961.db2.gz HSHMLTOWKLWWQF-GQCTYLIASA-N -1 3 342.200 3.503 20 0 EHADHM CC(C)N(Cc1cscc1Cl)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824293163 608531243 /nfs/dbraw/zinc/53/12/43/608531243.db2.gz GNYUAUWPNFPUEK-UHFFFAOYSA-N -1 3 347.875 3.992 20 0 EHADHM CC[C@H](NCc1cccc(-c2nnn[n-]2)c1F)c1ccc(F)cc1F ZINC000825148382 608535477 /nfs/dbraw/zinc/53/54/77/608535477.db2.gz QHFNYFIZGFWEGE-HNNXBMFYSA-N -1 3 347.344 3.525 20 0 EHADHM CC[C@H](NCc1cccc(-c2nn[n-]n2)c1F)c1ccc(F)cc1F ZINC000825148382 608535479 /nfs/dbraw/zinc/53/54/79/608535479.db2.gz QHFNYFIZGFWEGE-HNNXBMFYSA-N -1 3 347.344 3.525 20 0 EHADHM CCCC(=CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)CCC ZINC000825218006 608885393 /nfs/dbraw/zinc/88/53/93/608885393.db2.gz AEPYPXNKJURGSR-ZDUSSCGKSA-N -1 3 327.432 3.571 20 0 EHADHM CCCC(=CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)CCC ZINC000825218006 608885397 /nfs/dbraw/zinc/88/53/97/608885397.db2.gz AEPYPXNKJURGSR-ZDUSSCGKSA-N -1 3 327.432 3.571 20 0 EHADHM CSc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000826231029 609163237 /nfs/dbraw/zinc/16/32/37/609163237.db2.gz UIEUQQJZYIXRBR-JTQLQIEISA-N -1 3 329.404 3.901 20 0 EHADHM CSc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000826231029 609163239 /nfs/dbraw/zinc/16/32/39/609163239.db2.gz UIEUQQJZYIXRBR-JTQLQIEISA-N -1 3 329.404 3.901 20 0 EHADHM Clc1cnc(CSc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000826354010 609179394 /nfs/dbraw/zinc/17/93/94/609179394.db2.gz MPVZRICFFZUMNM-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM Clc1cnc(CSc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000826354010 609179396 /nfs/dbraw/zinc/17/93/96/609179396.db2.gz MPVZRICFFZUMNM-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM Cc1ccn(-c2ccccc2N[C@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000826308740 609253721 /nfs/dbraw/zinc/25/37/21/609253721.db2.gz NANJWGTZRMLAGY-CQSZACIVSA-N -1 3 345.410 3.534 20 0 EHADHM Cc1ccn(-c2ccccc2N[C@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000826308740 609253722 /nfs/dbraw/zinc/25/37/22/609253722.db2.gz NANJWGTZRMLAGY-CQSZACIVSA-N -1 3 345.410 3.534 20 0 EHADHM C[C@H](Nc1ccccc1OC(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000824663162 609272026 /nfs/dbraw/zinc/27/20/26/609272026.db2.gz WAAORKPCQKTSAB-JTQLQIEISA-N -1 3 331.326 3.641 20 0 EHADHM C[C@H](Nc1ccccc1OC(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824663162 609272027 /nfs/dbraw/zinc/27/20/27/609272027.db2.gz WAAORKPCQKTSAB-JTQLQIEISA-N -1 3 331.326 3.641 20 0 EHADHM Cc1cc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)nn1-c1ccccc1 ZINC000826270766 609281616 /nfs/dbraw/zinc/28/16/16/609281616.db2.gz OFLLMDUMCNGJBT-AWEZNQCLSA-N -1 3 345.410 3.534 20 0 EHADHM Cc1cc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)nn1-c1ccccc1 ZINC000826270766 609281618 /nfs/dbraw/zinc/28/16/18/609281618.db2.gz OFLLMDUMCNGJBT-AWEZNQCLSA-N -1 3 345.410 3.534 20 0 EHADHM C[C@@H](N[C@H]1CSc2ccccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000824554962 609335683 /nfs/dbraw/zinc/33/56/83/609335683.db2.gz UBZSDIPNVDMWEF-BMIGLBTASA-N -1 3 341.415 3.503 20 0 EHADHM CC[C@H](C)[C@@H](C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000825051870 609522939 /nfs/dbraw/zinc/52/29/39/609522939.db2.gz TZIKCVFYCZXRDB-LSDHHAIUSA-N -1 3 343.475 3.534 20 0 EHADHM CC[C@H](C)[C@@H](C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000825051870 609522940 /nfs/dbraw/zinc/52/29/40/609522940.db2.gz TZIKCVFYCZXRDB-LSDHHAIUSA-N -1 3 343.475 3.534 20 0 EHADHM Cc1nc2c(s1)[C@@H](Nc1ccc(Cl)cc1-c1nnn[n-]1)CCC2 ZINC000826328500 609566375 /nfs/dbraw/zinc/56/63/75/609566375.db2.gz SUCVBDSJWHSOEX-ZDUSSCGKSA-N -1 3 346.847 3.775 20 0 EHADHM Cc1nc2c(s1)[C@@H](Nc1ccc(Cl)cc1-c1nn[n-]n1)CCC2 ZINC000826328500 609566377 /nfs/dbraw/zinc/56/63/77/609566377.db2.gz SUCVBDSJWHSOEX-ZDUSSCGKSA-N -1 3 346.847 3.775 20 0 EHADHM CS[C@@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)C(C)(C)C ZINC000826225665 609590844 /nfs/dbraw/zinc/59/08/44/609590844.db2.gz HXHDMVJHGZQZTA-AWEZNQCLSA-N -1 3 342.472 3.605 20 0 EHADHM CS[C@@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)C(C)(C)C ZINC000826225665 609590846 /nfs/dbraw/zinc/59/08/46/609590846.db2.gz HXHDMVJHGZQZTA-AWEZNQCLSA-N -1 3 342.472 3.605 20 0 EHADHM Cc1sc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)c(-c2nnn[n-]2)c1C ZINC000737562527 945096121 /nfs/dbraw/zinc/09/61/21/945096121.db2.gz NIDUIXHKANCZGK-OLZOCXBDSA-N -1 3 345.472 3.700 20 0 EHADHM Cc1sc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)c(-c2nn[n-]n2)c1C ZINC000737562527 945096132 /nfs/dbraw/zinc/09/61/32/945096132.db2.gz NIDUIXHKANCZGK-OLZOCXBDSA-N -1 3 345.472 3.700 20 0 EHADHM CC1(C)CCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000736212040 944763745 /nfs/dbraw/zinc/76/37/45/944763745.db2.gz VGAZVZCARVKHQI-UHFFFAOYSA-N -1 3 325.338 3.512 20 0 EHADHM CC1(C)CCN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000736212040 944763751 /nfs/dbraw/zinc/76/37/51/944763751.db2.gz VGAZVZCARVKHQI-UHFFFAOYSA-N -1 3 325.338 3.512 20 0 EHADHM CCCc1nc(CNc2ccc(-c3nn[n-]n3)cc2Cl)cs1 ZINC000821143373 945642007 /nfs/dbraw/zinc/64/20/07/945642007.db2.gz TYEXHDKJHPSQJB-UHFFFAOYSA-N -1 3 334.836 3.541 20 0 EHADHM CCS[C@@H]1CCC[C@H]1Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000821455895 945700216 /nfs/dbraw/zinc/70/02/16/945700216.db2.gz MMMUJCIENOJZFG-HUUCEWRRSA-N -1 3 340.456 3.501 20 0 EHADHM CCS[C@@H]1CCC[C@H]1Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000821455895 945700221 /nfs/dbraw/zinc/70/02/21/945700221.db2.gz MMMUJCIENOJZFG-HUUCEWRRSA-N -1 3 340.456 3.501 20 0 EHADHM CCS[C@H]1CCC[C@@H]1Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000821455893 945701165 /nfs/dbraw/zinc/70/11/65/945701165.db2.gz MMMUJCIENOJZFG-GJZGRUSLSA-N -1 3 340.456 3.501 20 0 EHADHM CCS[C@H]1CCC[C@@H]1Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000821455893 945701174 /nfs/dbraw/zinc/70/11/74/945701174.db2.gz MMMUJCIENOJZFG-GJZGRUSLSA-N -1 3 340.456 3.501 20 0 EHADHM C[C@H](Nc1ccc(OC(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824657988 946885764 /nfs/dbraw/zinc/88/57/64/946885764.db2.gz TWQBHUNIIAQWAS-VIFPVBQESA-N -1 3 349.316 3.780 20 0 EHADHM C[C@H](Nc1ccc(OC(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824657988 946885770 /nfs/dbraw/zinc/88/57/70/946885770.db2.gz TWQBHUNIIAQWAS-VIFPVBQESA-N -1 3 349.316 3.780 20 0 EHADHM CCOc1ccccc1[C@H](CC)Nc1nccc(C)c1-c1nnn[n-]1 ZINC000825653717 947280276 /nfs/dbraw/zinc/28/02/76/947280276.db2.gz IMOQLKNGEOGXDO-AWEZNQCLSA-N -1 3 338.415 3.532 20 0 EHADHM CCOc1ccccc1[C@H](CC)Nc1nccc(C)c1-c1nn[n-]n1 ZINC000825653717 947280289 /nfs/dbraw/zinc/28/02/89/947280289.db2.gz IMOQLKNGEOGXDO-AWEZNQCLSA-N -1 3 338.415 3.532 20 0 EHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)CCCc2ccsc2)s1 ZINC000825694121 947291172 /nfs/dbraw/zinc/29/11/72/947291172.db2.gz KPHKAJQICOGKRY-UHFFFAOYSA-N -1 3 347.469 3.514 20 0 EHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)CCCc2ccsc2)s1 ZINC000825694121 947291181 /nfs/dbraw/zinc/29/11/81/947291181.db2.gz KPHKAJQICOGKRY-UHFFFAOYSA-N -1 3 347.469 3.514 20 0 EHADHM Cc1ccccc1CN[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000826307581 947883043 /nfs/dbraw/zinc/88/30/43/947883043.db2.gz OIAWURPSIGXWKM-HNNXBMFYSA-N -1 3 347.344 3.568 20 0 EHADHM Cc1ccccc1CN[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000826307581 947883057 /nfs/dbraw/zinc/88/30/57/947883057.db2.gz OIAWURPSIGXWKM-HNNXBMFYSA-N -1 3 347.344 3.568 20 0 EHADHM Fc1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)cc1C(F)(F)F ZINC000826374140 948160192 /nfs/dbraw/zinc/16/01/92/948160192.db2.gz MXAWPRFCRJVVBY-DAFODLJHSA-N -1 3 335.264 3.590 20 0 EHADHM Fc1ccc(C=Cc2ccc(-c3nn[n-]n3)cn2)cc1C(F)(F)F ZINC000826374140 948160197 /nfs/dbraw/zinc/16/01/97/948160197.db2.gz MXAWPRFCRJVVBY-DAFODLJHSA-N -1 3 335.264 3.590 20 0 EHADHM CC(C)(CC(=O)Nc1cc(-c2nnn[n-]2)ccc1F)C1CCCCC1 ZINC001436650464 948518512 /nfs/dbraw/zinc/51/85/12/948518512.db2.gz XUDOTHUNSHVYCW-UHFFFAOYSA-N -1 3 345.422 3.941 20 0 EHADHM CC(C)(CC(=O)Nc1cc(-c2nn[n-]n2)ccc1F)C1CCCCC1 ZINC001436650464 948518516 /nfs/dbraw/zinc/51/85/16/948518516.db2.gz XUDOTHUNSHVYCW-UHFFFAOYSA-N -1 3 345.422 3.941 20 0 EHADHM CC(C)c1ccc2c(c1)CN(c1cccc(F)c1-c1nnn[n-]1)CC2 ZINC001574416741 948759539 /nfs/dbraw/zinc/75/95/39/948759539.db2.gz FXHANEHBJFWKKR-UHFFFAOYSA-N -1 3 337.402 3.692 20 0 EHADHM CC(C)c1ccc2c(c1)CN(c1cccc(F)c1-c1nn[n-]n1)CC2 ZINC001574416741 948759550 /nfs/dbraw/zinc/75/95/50/948759550.db2.gz FXHANEHBJFWKKR-UHFFFAOYSA-N -1 3 337.402 3.692 20 0 EHADHM CC(C)[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1F ZINC001574079568 948770317 /nfs/dbraw/zinc/77/03/17/948770317.db2.gz KGQMFDLPRJIVME-AWEZNQCLSA-N -1 3 346.797 3.863 20 0 EHADHM CC(C)[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1F ZINC001574079568 948770330 /nfs/dbraw/zinc/77/03/30/948770330.db2.gz KGQMFDLPRJIVME-AWEZNQCLSA-N -1 3 346.797 3.863 20 0 EHADHM CC(C)c1ncc(CNc2ccc(C3CC3)c(-c3nnn[n-]3)c2)s1 ZINC001574427483 948904839 /nfs/dbraw/zinc/90/48/39/948904839.db2.gz GBTCPRYUXAOGKP-UHFFFAOYSA-N -1 3 340.456 3.936 20 0 EHADHM CC(C)c1ncc(CNc2ccc(C3CC3)c(-c3nn[n-]n3)c2)s1 ZINC001574427483 948904850 /nfs/dbraw/zinc/90/48/50/948904850.db2.gz GBTCPRYUXAOGKP-UHFFFAOYSA-N -1 3 340.456 3.936 20 0 EHADHM C[C@@H](CCc1ccc(O)cc1)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001574694790 949091080 /nfs/dbraw/zinc/09/10/80/949091080.db2.gz WIPFADRDMPMZHW-ZDUSSCGKSA-N -1 3 349.438 3.883 20 0 EHADHM C[C@@H](CCc1ccc(O)cc1)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001574694790 949091098 /nfs/dbraw/zinc/09/10/98/949091098.db2.gz WIPFADRDMPMZHW-ZDUSSCGKSA-N -1 3 349.438 3.883 20 0 EHADHM C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001576169839 949695658 /nfs/dbraw/zinc/69/56/58/949695658.db2.gz JWADLKRHKWTOPP-MNOVXSKESA-N -1 3 333.823 3.675 20 0 EHADHM C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001576169839 949695670 /nfs/dbraw/zinc/69/56/70/949695670.db2.gz JWADLKRHKWTOPP-MNOVXSKESA-N -1 3 333.823 3.675 20 0 EHADHM O=C([O-])CCNCc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000340671547 951131456 /nfs/dbraw/zinc/13/14/56/951131456.db2.gz ASJXILHRXUBVSF-UHFFFAOYSA-N -1 3 331.224 3.681 20 0 EHADHM C[C@@H](CSc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC001575184701 952422696 /nfs/dbraw/zinc/42/26/96/952422696.db2.gz AKYGUDMFMNCXTQ-JTQLQIEISA-N -1 3 331.832 3.811 20 0 EHADHM C[C@@H](CSc1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC001575184701 952422700 /nfs/dbraw/zinc/42/27/00/952422700.db2.gz AKYGUDMFMNCXTQ-JTQLQIEISA-N -1 3 331.832 3.811 20 0 EHADHM C[C@@H](c1ccc(Br)cc1)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000521434877 953554129 /nfs/dbraw/zinc/55/41/29/953554129.db2.gz DDMGOVNJJQSFDN-SUNKGSAMSA-N -1 3 326.234 3.553 20 0 EHADHM CC(C)(C)c1ccc(NC(=O)CN2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000818328987 955393670 /nfs/dbraw/zinc/39/36/70/955393670.db2.gz JJIFJRKNDUEQMK-KRWDZBQOSA-N -1 3 346.471 3.642 20 0 EHADHM C[C@H]1C[C@H](C)CN(Cc2ccc(C(=O)[O-])cc2Br)C1 ZINC000226718353 959895160 /nfs/dbraw/zinc/89/51/60/959895160.db2.gz UVXPXLZGSPZLGO-QWRGUYRKSA-N -1 3 326.234 3.625 20 0 EHADHM O=C([O-])COc1ccc(CN2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC001138924817 960492245 /nfs/dbraw/zinc/49/22/45/960492245.db2.gz AINKKVSEWKIMIR-GOSISDBHSA-N -1 3 329.371 3.626 20 0 EHADHM Cc1cc(Br)ccc1CN1CCC[C@H](CCC(=O)[O-])C1 ZINC000263348925 962501572 /nfs/dbraw/zinc/50/15/72/962501572.db2.gz OUIFTFIKTNTGRF-CYBMUJFWSA-N -1 3 340.261 3.834 20 0 EHADHM CC(C)C[C@@H](CNCc1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC000263488362 962673225 /nfs/dbraw/zinc/67/32/25/962673225.db2.gz NOIKZJHUFUWFRU-JTQLQIEISA-N -1 3 337.313 3.561 20 0 EHADHM CN(Cc1ccc(C(=O)[O-])cc1Br)C[C@H]1CC=CCC1 ZINC000402509674 973614158 /nfs/dbraw/zinc/61/41/58/973614158.db2.gz FDBKNGVQIHJVFT-LBPRGKRZSA-N -1 3 338.245 3.935 20 0 EHADHM COc1cccc(-c2csc(CN3C[C@@H](C(=O)[O-])CC[C@@H]3C)n2)c1 ZINC001604854485 974093785 /nfs/dbraw/zinc/09/37/85/974093785.db2.gz BMIRHILKDOKPSB-JSGCOSHPSA-N -1 3 346.452 3.504 20 0 EHADHM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1CCOc1cccc(C(=O)[O-])c1 ZINC000576592154 974818436 /nfs/dbraw/zinc/81/84/36/974818436.db2.gz WVUGHTCOKMHXNX-UONOGXRCSA-N -1 3 343.398 3.911 20 0 EHADHM O=C([O-])c1cnoc1CN1CCC[C@H](CCCc2ccccc2)C1 ZINC000576642765 974819645 /nfs/dbraw/zinc/81/96/45/974819645.db2.gz KNDPOQPKURAKLW-INIZCTEOSA-N -1 3 328.412 3.608 20 0 EHADHM C[C@H](C1CC1)N(Cc1ccc(C(=O)[O-])cc1Br)C1CC1 ZINC000579132958 974869709 /nfs/dbraw/zinc/86/97/09/974869709.db2.gz ROMMZTWORPOCMX-SNVBAGLBSA-N -1 3 338.245 3.910 20 0 EHADHM Cc1cc([C@@H](C)N2CC[C@@]3(C2)CCc2ccccc2O3)oc1C(=O)[O-] ZINC000581955373 974918653 /nfs/dbraw/zinc/91/86/53/974918653.db2.gz FJDGMSCENFXFEB-JLTOFOAXSA-N -1 3 341.407 3.817 20 0 EHADHM C[C@H]1CCCCN(Cc2ccc(C(=O)[O-])cc2Br)C1 ZINC000582365805 974924937 /nfs/dbraw/zinc/92/49/37/974924937.db2.gz MJPNZEXYYLMQOH-NSHDSACASA-N -1 3 326.234 3.769 20 0 EHADHM COC[C@H](C)N(Cc1occc1C(=O)[O-])[C@H]1CCc2ccccc21 ZINC000629376111 975089852 /nfs/dbraw/zinc/08/98/52/975089852.db2.gz RSMYMYQIXUTLIE-GUYCJALGSA-N -1 3 329.396 3.502 20 0 EHADHM Cc1oc(C(=O)[O-])cc1CN(C)CCCOc1ccc(Cl)cc1 ZINC000652398671 975523143 /nfs/dbraw/zinc/52/31/43/975523143.db2.gz UGUQUQSDLGGVFR-UHFFFAOYSA-N -1 3 337.803 3.841 20 0 EHADHM CC(C)O[C@@H]1C[C@H](N[C@H](C(=O)[O-])c2c(F)cccc2Cl)C1(C)C ZINC001591696791 975539696 /nfs/dbraw/zinc/53/96/96/975539696.db2.gz XTOOGQRITOHOIK-GUTXKFCHSA-N -1 3 343.826 3.787 20 0 EHADHM COc1ccc(CNCc2cccc(C(=O)[O-])c2)cc1OCC(C)C ZINC000683176554 976079156 /nfs/dbraw/zinc/07/91/56/976079156.db2.gz LRCOJBIZKWKWEA-UHFFFAOYSA-N -1 3 343.423 3.718 20 0 EHADHM CC(C)c1[nH]c(CN(C)CCCOc2ccc(F)cc2)cc1C(=O)[O-] ZINC001591910638 976324200 /nfs/dbraw/zinc/32/42/00/976324200.db2.gz LCENTXSBAMNOMQ-UHFFFAOYSA-N -1 3 348.418 3.876 20 0 EHADHM CC(C)c1cnc(CN2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)s1 ZINC001592002588 976651804 /nfs/dbraw/zinc/65/18/04/976651804.db2.gz AAMMUHQHRAHACL-HUUCEWRRSA-N -1 3 330.453 3.567 20 0 EHADHM C[C@@](CCF)(NCc1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC001592505750 978315593 /nfs/dbraw/zinc/31/55/93/978315593.db2.gz DXAMYTYQHOLHEI-HNNXBMFYSA-N -1 3 342.823 3.756 20 0 EHADHM CC(C)(C)C[C@@H](NCc1csc(COc2ccccc2)n1)C(=O)[O-] ZINC000756362346 978699581 /nfs/dbraw/zinc/69/95/81/978699581.db2.gz MAUBTUUEEGGLOG-OAHLLOKOSA-N -1 3 348.468 3.701 20 0 EHADHM C[C@@H](NC[C@@H](C)c1ccc(F)cc1F)c1ncc(C(=O)[O-])s1 ZINC001592705388 979169069 /nfs/dbraw/zinc/16/90/69/979169069.db2.gz DQCDFWZDPSMDPY-RKDXNWHRSA-N -1 3 326.368 3.574 20 0 EHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC(c2ccccc2F)CC1 ZINC000579797149 1014571764 /nfs/dbraw/zinc/57/17/64/1014571764.db2.gz VRYWHLZGIBKJLW-UHFFFAOYSA-N -1 3 331.362 3.619 20 0 EHADHM CCC(CC)N(CC(=O)Nc1sc(C)c(C)c1C(=O)[O-])C1CC1 ZINC001595114380 979463750 /nfs/dbraw/zinc/46/37/50/979463750.db2.gz HMRZJJZVIRLZBT-UHFFFAOYSA-N -1 3 338.473 3.655 20 0 EHADHM CCOc1cc(F)cc(CN[C@@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000864511550 979939760 /nfs/dbraw/zinc/93/97/60/979939760.db2.gz BMGQOULPFLGTFI-SFHVURJKSA-N -1 3 331.387 3.920 20 0 EHADHM O=C([O-])[C@@H](CC(F)(F)F)NCc1ccc(SC(F)(F)F)cc1 ZINC000901779237 980509927 /nfs/dbraw/zinc/50/99/27/980509927.db2.gz IMOPXSQLKDPHQS-SECBINFHSA-N -1 3 347.280 3.794 20 0 EHADHM CC(C)COc1ccc(CN2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC000901790430 980522065 /nfs/dbraw/zinc/52/20/65/980522065.db2.gz WZNLMCXLRREYNQ-INIZCTEOSA-N -1 3 345.361 3.560 20 0 EHADHM Cc1nn(C(C)C)cc1CN(CCCC(=O)[O-])Cc1ccccc1 ZINC000901801066 980527205 /nfs/dbraw/zinc/52/72/05/980527205.db2.gz AJVNTUXLVSUKPJ-UHFFFAOYSA-N -1 3 329.444 3.639 20 0 EHADHM C[C@H](NCc1nc(C(C)(C)C)cs1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000901877903 980592789 /nfs/dbraw/zinc/59/27/89/980592789.db2.gz XJWLXFJLFULQNT-DZGCQCFKSA-N -1 3 346.496 3.862 20 0 EHADHM CC[C@@H]1CCCN(Cc2ccc(C(=O)[O-])c(Br)c2)C1 ZINC000902136118 980752194 /nfs/dbraw/zinc/75/21/94/980752194.db2.gz LIJOLXOKISCZBZ-LLVKDONJSA-N -1 3 326.234 3.769 20 0 EHADHM CCc1oc(CN(C)CCCOc2ccc(F)cc2)cc1C(=O)[O-] ZINC000902192724 980777216 /nfs/dbraw/zinc/77/72/16/980777216.db2.gz PGRROAVDYWLPDO-UHFFFAOYSA-N -1 3 335.375 3.580 20 0 EHADHM CO[C@@H](c1ccccc1Cl)[C@H](C)NCc1cc(C)c(C(=O)[O-])o1 ZINC000902267270 980808125 /nfs/dbraw/zinc/80/81/25/980808125.db2.gz GJJUVVQLHDQXJD-MEDUHNTESA-N -1 3 337.803 3.805 20 0 EHADHM CSc1ccccc1[C@H](C)NCc1ccc(OCC(=O)[O-])cc1 ZINC000902379578 980862985 /nfs/dbraw/zinc/86/29/85/980862985.db2.gz GMNYDIFNTYRPRP-ZDUSSCGKSA-N -1 3 331.437 3.723 20 0 EHADHM CC[C@H](NCc1ccnc2c(C(=O)[O-])cccc12)c1c(C)noc1C ZINC000902423913 980879588 /nfs/dbraw/zinc/87/95/88/980879588.db2.gz HRDGDDFLBBXOPP-INIZCTEOSA-N -1 3 339.395 3.779 20 0 EHADHM Cc1cc(Br)cc2c1CN(CCC(C)(C)C(=O)[O-])CC2 ZINC000902430521 980883520 /nfs/dbraw/zinc/88/35/20/980883520.db2.gz HYAICVJNFNDXKI-UHFFFAOYSA-N -1 3 340.261 3.617 20 0 EHADHM CC1(C)CO[C@H](CNCc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000902502318 980911342 /nfs/dbraw/zinc/91/13/42/980911342.db2.gz PBMSPPRJXICWNC-AWEZNQCLSA-N -1 3 329.396 3.550 20 0 EHADHM CC[C@@H]1CC[C@@H](C)N1Cc1ccc(C(=O)[O-])c(Br)c1 ZINC000902528652 980922779 /nfs/dbraw/zinc/92/27/79/980922779.db2.gz QJQOZDLISVYRSA-ZYHUDNBSSA-N -1 3 326.234 3.910 20 0 EHADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2Oc2cccc(C)c2)o1 ZINC000538013492 1032102284 /nfs/dbraw/zinc/10/22/84/1032102284.db2.gz XTLLBEPXWDMUJP-IRXDYDNUSA-N -1 3 349.452 3.565 20 0 EHADHM CC(C)N(Cc1cc(C(=O)[O-])ccc1Br)C1CCC1 ZINC000903894368 981025050 /nfs/dbraw/zinc/02/50/50/981025050.db2.gz UZNKVVHZPCCIBK-UHFFFAOYSA-N -1 3 326.234 3.910 20 0 EHADHM O=C([O-])c1ccc(CN[C@@H](c2ccc(F)cc2)C2CCCC2)nc1 ZINC000905724902 981123855 /nfs/dbraw/zinc/12/38/55/981123855.db2.gz PBHGUKQIGMPHKT-GOSISDBHSA-N -1 3 328.387 3.940 20 0 EHADHM CC(C)c1ccc(CCN2CCOc3c(cccc3C(=O)[O-])C2)cc1 ZINC000905739728 981132694 /nfs/dbraw/zinc/13/26/94/981132694.db2.gz NXIRQMPQQVZHMX-UHFFFAOYSA-N -1 3 339.435 3.945 20 0 EHADHM COc1ccc(CNCc2ccc(C(=O)[O-])c(Cl)c2)c(C)c1OC ZINC000905757638 981144604 /nfs/dbraw/zinc/14/46/04/981144604.db2.gz WEIBHZYBTYCWHL-UHFFFAOYSA-N -1 3 349.814 3.654 20 0 EHADHM O=C([O-])c1ccccc1-c1ccc(CNC[C@@H]2CC[C@@H](C3CC3)O2)o1 ZINC000905774600 981148372 /nfs/dbraw/zinc/14/83/72/981148372.db2.gz JKXAGUQFFXFLEI-KSSFIOAISA-N -1 3 341.407 3.692 20 0 EHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(Cl)c(C)c2)cc1 ZINC000683174530 1014742393 /nfs/dbraw/zinc/74/23/93/1014742393.db2.gz OZWYZBBXMOAFSV-QGZVFWFLSA-N -1 3 333.815 3.963 20 0 EHADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000092423092 1014754042 /nfs/dbraw/zinc/75/40/42/1014754042.db2.gz RELHKLVOAQHFKP-PBHICJAKSA-N -1 3 345.464 3.744 20 0 EHADHM CCCN(Cc1cc(C(=O)[O-])n(C)c1)[C@H](C)c1ccccc1OC ZINC001595886088 982913921 /nfs/dbraw/zinc/91/39/21/982913921.db2.gz WTOVMPMTKDYBFY-CQSZACIVSA-N -1 3 330.428 3.705 20 0 EHADHM C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2F)CCc2ccc(F)cc21 ZINC001594533178 986136532 /nfs/dbraw/zinc/13/65/32/986136532.db2.gz BEPPWLGKZGDXDY-GFCCVEGCSA-N -1 3 331.362 3.825 20 0 EHADHM Cc1ncc(-c2ccccc2)cc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000274801089 1015237910 /nfs/dbraw/zinc/23/79/10/1015237910.db2.gz FFQTVGTZCBWISU-QGZVFWFLSA-N -1 3 327.384 3.637 20 0 EHADHM Cc1ncc(-c2ccccc2)cc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000274801089 1015237916 /nfs/dbraw/zinc/23/79/16/1015237916.db2.gz FFQTVGTZCBWISU-QGZVFWFLSA-N -1 3 327.384 3.637 20 0 EHADHM CC[C@H](C(=O)Nc1cccc2cc(C(=O)[O-])sc21)N(CC)CC ZINC001594736474 987277787 /nfs/dbraw/zinc/27/77/87/987277787.db2.gz ZWTGJPCJOZYROL-CYBMUJFWSA-N -1 3 334.441 3.658 20 0 EHADHM CC(C)(C(=O)[O-])[C@@H](NCc1ccc(C(F)F)nc1)c1ccccc1 ZINC001589602409 987433170 /nfs/dbraw/zinc/43/31/70/987433170.db2.gz ZTVOQKWWNBBJBH-HNNXBMFYSA-N -1 3 334.366 3.961 20 0 EHADHM CSc1ccc(CN2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)cc1 ZINC001599812776 988366825 /nfs/dbraw/zinc/36/68/25/988366825.db2.gz FPCJSYQVESDTPQ-CYBMUJFWSA-N -1 3 348.493 3.943 20 0 EHADHM Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000153499471 1125504559 /nfs/dbraw/zinc/50/45/59/1125504559.db2.gz GUUFXCNOJUJENH-UHFFFAOYSA-N -1 3 335.835 3.696 20 0 EHADHM CCc1oc(CN(Cc2ccccc2)[C@@H](CO)C(C)C)cc1C(=O)[O-] ZINC001597796727 989356513 /nfs/dbraw/zinc/35/65/13/989356513.db2.gz PQTXZNANQBWBPI-SFHVURJKSA-N -1 3 345.439 3.559 20 0 EHADHM C[C@@]12CSC[C@@H]1CN([C@@H](C(=O)[O-])c1cccc(Cl)c1Cl)C2 ZINC001599885152 989542059 /nfs/dbraw/zinc/54/20/59/989542059.db2.gz WCRYJNAMVIVNBV-JBCWJZNQSA-N -1 3 346.279 3.804 20 0 EHADHM CC(C)(C)O[C@@H]1C[C@H](N[C@@H](C(=O)[O-])c2cc(F)ccc2F)C1(C)C ZINC001590379739 989892851 /nfs/dbraw/zinc/89/28/51/989892851.db2.gz ZVDRTZJWBBEUOM-RRFJBIMHSA-N -1 3 341.398 3.662 20 0 EHADHM CN(CC(=O)Nc1ccc(C(=O)[O-])cc1)C1CCC(C(C)(C)C)CC1 ZINC001598397233 991669564 /nfs/dbraw/zinc/66/95/64/991669564.db2.gz UITYYIBDTJENNR-UHFFFAOYSA-N -1 3 346.471 3.860 20 0 EHADHM 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COc1ccc(C(=O)N[C@H](CC(F)(F)F)c2ccccc2)c([O-])c1 ZINC000436803993 1021247782 /nfs/dbraw/zinc/24/77/82/1021247782.db2.gz ADIXFWKLGJASHP-CQSZACIVSA-N -1 3 339.313 3.824 20 0 EHADHM C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)c1ccccc1[O-] ZINC000436804680 1021251004 /nfs/dbraw/zinc/25/10/04/1021251004.db2.gz CACVZYVMRIHYHP-GFCCVEGCSA-N -1 3 348.805 3.536 20 0 EHADHM COc1ccc2oc([C@H](C)NC(=O)c3ccc(O)cc3[O-])c(C)c2c1 ZINC000436808689 1021255941 /nfs/dbraw/zinc/25/59/41/1021255941.db2.gz PYYNGTYIZQGCPP-NSHDSACASA-N -1 3 341.363 3.652 20 0 EHADHM CC1(c2ccc(Cl)cc2)CCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000436831249 1021261950 /nfs/dbraw/zinc/26/19/50/1021261950.db2.gz SARABXSVXHVAIJ-UHFFFAOYSA-N -1 3 345.826 3.945 20 0 EHADHM Cc1ccc(C(=O)N2CCC[C@H](OCc3ccccc3F)C2)c([O-])c1 ZINC000436834875 1021268827 /nfs/dbraw/zinc/26/88/27/1021268827.db2.gz RSOARSMQDLRVHT-INIZCTEOSA-N -1 3 343.398 3.661 20 0 EHADHM CCc1ccc(-c2nc(Cc3ccc(-n4cccn4)cc3)no2)c([O-])c1 ZINC000436837645 1021271187 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Cc1ccc(-c2nc(CC(=O)Nc3ccccc3Cl)no2)c([O-])c1 ZINC000436897834 1021361689 /nfs/dbraw/zinc/36/16/89/1021361689.db2.gz UQOQHWKUSPAALS-UHFFFAOYSA-N -1 3 343.770 3.585 20 0 EHADHM CCCOc1ccc(-c2noc(-c3cc(OC)ccc3[O-])n2)cc1 ZINC000436901434 1021366551 /nfs/dbraw/zinc/36/65/51/1021366551.db2.gz MOVUUJFKKAZYKR-UHFFFAOYSA-N -1 3 326.352 3.907 20 0 EHADHM COc1ccc([O-])c(-c2nc(Cc3c[nH]c4cc(F)ccc34)no2)c1 ZINC000436922644 1021379353 /nfs/dbraw/zinc/37/93/53/1021379353.db2.gz ZIBWSWPCQYSNGE-UHFFFAOYSA-N -1 3 339.326 3.662 20 0 EHADHM O=C(NC[C@@H]1CCC[C@@H]1c1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000516397168 1021392300 /nfs/dbraw/zinc/39/23/00/1021392300.db2.gz JJPZJNLTQVKYJA-DLBZAZTESA-N -1 3 346.430 3.842 20 0 EHADHM COc1cc(NC(=O)c2ccc(C)c(C)c2[O-])c(OC)c(C)c1OC ZINC000436933863 1021397772 /nfs/dbraw/zinc/39/77/72/1021397772.db2.gz VHCPUTNEMGSQEY-UHFFFAOYSA-N -1 3 345.395 3.596 20 0 EHADHM CC(C)c1ccc(-c2nc(-c3ccc4[nH]c(=O)[nH]c4c3)no2)c([O-])c1 ZINC000436936609 1021398176 /nfs/dbraw/zinc/39/81/76/1021398176.db2.gz BYIUZQIIZLMBDH-UHFFFAOYSA-N -1 3 336.351 3.815 20 0 EHADHM CCCCOc1ccc(C(=O)NC[C@]2(C)CCO[C@@H]2C2CC2)c([O-])c1 ZINC000436989007 1021443797 /nfs/dbraw/zinc/44/37/97/1021443797.db2.gz LFLMFXZELYDNHR-QUCCMNQESA-N -1 3 347.455 3.506 20 0 EHADHM CCCCOc1ccc(C(=O)N[C@H](C)c2ncc(C)s2)c([O-])c1 ZINC000436991509 1021448929 /nfs/dbraw/zinc/44/89/29/1021448929.db2.gz YLPCKNKRLCFAAA-GFCCVEGCSA-N -1 3 334.441 3.827 20 0 EHADHM COC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436983966 1021455866 /nfs/dbraw/zinc/45/58/66/1021455866.db2.gz BBWHBAMTYXUBKP-SFHVURJKSA-N -1 3 341.451 3.845 20 0 EHADHM O=C(NCc1ccc2sccc2c1)c1cc(=O)c2ccccc2[n-]1 ZINC000426482133 1021681472 /nfs/dbraw/zinc/68/14/72/1021681472.db2.gz JXXWNKQJWNXFOQ-UHFFFAOYSA-N -1 3 334.400 3.673 20 0 EHADHM CSc1ccc([O-])c(C(=O)N2CC[C@](F)(c3ccccc3)C2)c1 ZINC000614531707 1021704579 /nfs/dbraw/zinc/70/45/79/1021704579.db2.gz MVPFOKKRNBDIPL-GOSISDBHSA-N -1 3 331.412 3.825 20 0 EHADHM Cc1cc(C)cc(-c2cc(=NC(=O)[C@H](c3cccnc3)C(C)C)[nH][n-]2)c1 ZINC000437389004 1021777634 /nfs/dbraw/zinc/77/76/34/1021777634.db2.gz UFYVQWUSSKZVNZ-FQEVSTJZSA-N -1 3 348.450 3.889 20 0 EHADHM CCSCC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000437714508 1022090097 /nfs/dbraw/zinc/09/00/97/1022090097.db2.gz CVKZTWNQKQUDLF-SECBINFHSA-N -1 3 342.313 3.803 20 0 EHADHM Cc1ccccc1C[C@H](CNCc1csc(C(C)(C)C)n1)C(=O)[O-] ZINC000426630312 1022090103 /nfs/dbraw/zinc/09/01/03/1022090103.db2.gz IHPVTHPFVKSZEH-OAHLLOKOSA-N -1 3 346.496 3.782 20 0 EHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3CCC(C)=C(C)C3)cc2)n1 ZINC000517237822 1022157241 /nfs/dbraw/zinc/15/72/41/1022157241.db2.gz RMRCGCCZJUOTBC-MRXNPFEDSA-N -1 3 337.423 3.820 20 0 EHADHM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1c(Cl)cccc1Cl ZINC000891630563 1022163779 /nfs/dbraw/zinc/16/37/79/1022163779.db2.gz JIOOVLKMTGERPK-UHFFFAOYSA-N -1 3 338.194 3.620 20 0 EHADHM Cc1nc([N-]C(=O)c2sc3cc(Cl)ccc3c2Cl)n[nH]1 ZINC000112702733 1022307180 /nfs/dbraw/zinc/30/71/80/1022307180.db2.gz LQEBPVWDDJDAJQ-UHFFFAOYSA-N -1 3 327.196 3.887 20 0 EHADHM CCCC[C@H](NC(=O)NCc1ncccc1[O-])c1ccc(OC)cc1 ZINC000471812492 1022360522 /nfs/dbraw/zinc/36/05/22/1022360522.db2.gz WCMCPEMLWZHOMP-INIZCTEOSA-N -1 3 343.427 3.527 20 0 EHADHM O=C(NCc1ccc([O-])c(F)c1)c1c[nH]nc1-c1ccccc1Cl ZINC000088388651 1022760327 /nfs/dbraw/zinc/76/03/27/1022760327.db2.gz NZXUGIIMPPUPNP-UHFFFAOYSA-N -1 3 345.761 3.505 20 0 EHADHM CCc1cccc(C(=O)N(C)C[C@@H](C)Cc2ccc(OC)cc2)c1[O-] ZINC000535652569 1022816229 /nfs/dbraw/zinc/81/62/29/1022816229.db2.gz AVLDDTWGNFRVTP-HNNXBMFYSA-N -1 3 341.451 3.914 20 0 EHADHM CC(C)c1cccc2c1CCN(C(=O)NCc1ccc([O-])c(F)c1)C2 ZINC000473831291 1022913420 /nfs/dbraw/zinc/91/34/20/1022913420.db2.gz RYWYNMQZEJPEPP-UHFFFAOYSA-N -1 3 342.414 3.923 20 0 EHADHM O=C(NCc1c(F)cccc1OC(F)F)c1cc([O-])ccc1Cl ZINC000341676685 1022963892 /nfs/dbraw/zinc/96/38/92/1022963892.db2.gz TUAAHLOFPNEOGF-UHFFFAOYSA-N -1 3 345.704 3.716 20 0 EHADHM O=C([O-])[C@@H](CNCc1c(F)cccc1F)Cc1ccccc1Cl ZINC000426701865 1022973252 /nfs/dbraw/zinc/97/32/52/1022973252.db2.gz BKIVRRHVSWTHJK-GFCCVEGCSA-N -1 3 339.769 3.651 20 0 EHADHM Cc1ccsc1CN[C@H](CC(=O)[O-])c1cnn(-c2ccccc2)c1 ZINC000426720731 1022987738 /nfs/dbraw/zinc/98/77/38/1022987738.db2.gz OSWHNVORQCIYLI-MRXNPFEDSA-N -1 3 341.436 3.548 20 0 EHADHM O=C([O-])[C@@H](NCc1cccc(OC(F)(F)F)c1)c1cccc(F)c1 ZINC000426762524 1023015428 /nfs/dbraw/zinc/01/54/28/1023015428.db2.gz KYDKGSVJFNHHBC-AWEZNQCLSA-N -1 3 343.276 3.640 20 0 EHADHM CCN(C(=O)CCCc1ccc([O-])c(F)c1)[C@@H]1CCOC(C)(C)C1 ZINC000426767959 1023045059 /nfs/dbraw/zinc/04/50/59/1023045059.db2.gz SKIGAOIOKYBEKG-OAHLLOKOSA-N -1 3 337.435 3.660 20 0 EHADHM COc1ccc([C@H](NCc2ccc(Cl)c(C)c2)C(=O)[O-])cc1F ZINC000426835348 1023083181 /nfs/dbraw/zinc/08/31/81/1023083181.db2.gz QXESLEBVENZLPX-INIZCTEOSA-N -1 3 337.778 3.712 20 0 EHADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c([O-])c1 ZINC000190052372 1023157628 /nfs/dbraw/zinc/15/76/28/1023157628.db2.gz DJBYUARRHMOFDX-GFCCVEGCSA-N -1 3 345.361 3.986 20 0 EHADHM O=S(=O)([N-]CCCc1cccc(F)c1)c1ccc(Cl)cc1F ZINC000518317288 1023214580 /nfs/dbraw/zinc/21/45/80/1023214580.db2.gz OBIRLQORNUAGJU-UHFFFAOYSA-N -1 3 345.798 3.529 20 0 EHADHM C[C@H](C(=O)N=c1cc(-c2ccccc2)[n-][nH]1)c1cccc(Cl)c1 ZINC000439018391 1023222453 /nfs/dbraw/zinc/22/24/53/1023222453.db2.gz HVHXVISUZIDZIN-LBPRGKRZSA-N -1 3 325.799 3.894 20 0 EHADHM COc1ccc(C(=O)N2[C@H](C)c3ccc(F)cc3C[C@@H]2C)c([O-])c1 ZINC000439053957 1023245179 /nfs/dbraw/zinc/24/51/79/1023245179.db2.gz GAUFXQMCCLMRNP-NWDGAFQWSA-N -1 3 329.371 3.688 20 0 EHADHM COc1ccc(C(=O)N2CC=C(c3ccccc3Cl)CC2)c([O-])c1 ZINC000092029894 1023342654 /nfs/dbraw/zinc/34/26/54/1023342654.db2.gz ULABVDSPUWGLHU-UHFFFAOYSA-N -1 3 343.810 3.984 20 0 EHADHM CCCCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000426776966 1023375139 /nfs/dbraw/zinc/37/51/39/1023375139.db2.gz JJHKKJCDCIVNQV-SFHVURJKSA-N -1 3 331.387 3.920 20 0 EHADHM CC(C)([N-]S(=O)(=O)c1csc2ccc(Cl)cc21)C(F)F ZINC000684597459 1023634226 /nfs/dbraw/zinc/63/42/26/1023634226.db2.gz KWATXLWZFFIHSQ-UHFFFAOYSA-N -1 3 339.816 3.877 20 0 EHADHM Cc1cc(Br)cc(Cl)c1C(=O)Nc1ncccc1[O-] ZINC000341895404 1023669825 /nfs/dbraw/zinc/66/98/25/1023669825.db2.gz ZXFDLAGRUFKKIN-UHFFFAOYSA-N -1 3 341.592 3.764 20 0 EHADHM CC(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)n[n-]c1=NC(C)(C)C ZINC000329633655 1023954350 /nfs/dbraw/zinc/95/43/50/1023954350.db2.gz SNTSQXYMDIJPFU-DLBZAZTESA-N -1 3 342.487 3.812 20 0 EHADHM C[C@H](C(=O)[O-])[C@H](NCc1cnc(C(C)(C)C)s1)c1ccccc1 ZINC000277178144 1024033310 /nfs/dbraw/zinc/03/33/10/1024033310.db2.gz FCKBBJWOEPCMRP-WFASDCNBSA-N -1 3 332.469 3.992 20 0 EHADHM COCc1c(C(=O)[N-]c2nnc(C)s2)sc2cccc(F)c21 ZINC000014634805 1024163080 /nfs/dbraw/zinc/16/30/80/1024163080.db2.gz ZBERACQUNPOMGS-UHFFFAOYSA-N -1 3 337.401 3.599 20 0 EHADHM Cc1ccc2nc(C)c(C(=O)N=c3cc(-c4ccccc4)[n-][nH]3)cc2c1 ZINC000520633002 1024299464 /nfs/dbraw/zinc/29/94/64/1024299464.db2.gz QGLQMTLUXSJJMO-UHFFFAOYSA-N -1 3 342.402 3.916 20 0 EHADHM COc1cc(Cl)c([N-]S(=O)(=O)c2ccc(C)cc2F)cc1C ZINC000520645927 1024333428 /nfs/dbraw/zinc/33/34/28/1024333428.db2.gz ZCQSTQBDHMBXEY-UHFFFAOYSA-N -1 3 343.807 3.905 20 0 EHADHM Cc1cnc([C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)C2CC2)s1 ZINC000346111854 1024411221 /nfs/dbraw/zinc/41/12/21/1024411221.db2.gz SZEZKOMIZSHYGN-KRWDZBQOSA-N -1 3 348.443 3.886 20 0 EHADHM Cc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c(C)c1O ZINC000342228834 1024494234 /nfs/dbraw/zinc/49/42/34/1024494234.db2.gz LUIBVAATHPQXRI-UHFFFAOYSA-N -1 3 340.354 3.550 20 0 EHADHM O=c1[n-]c(SCCCCCF)nc2c1cnn2Cc1ccccc1 ZINC000657284555 1024563553 /nfs/dbraw/zinc/56/35/53/1024563553.db2.gz POWJNNZPHVCYKG-UHFFFAOYSA-N -1 3 346.431 3.812 20 0 EHADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@H](CC)CC[C@H]3C)nc2)n1 ZINC000664472679 1024668722 /nfs/dbraw/zinc/66/87/22/1024668722.db2.gz PBYXPXSLAFKGCO-ZIAGYGMSSA-N -1 3 326.444 3.822 20 0 EHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(N(C)C(C)C)nc2)CC)n1 ZINC000435339222 1024810876 /nfs/dbraw/zinc/81/08/76/1024810876.db2.gz QJGFYNTWARSTBW-LFIBNONCSA-N -1 3 340.471 3.913 20 0 EHADHM Cc1cccc2cc(C(=O)Nc3ccc(Cc4nnn[n-]4)cc3)sc21 ZINC000514890453 1024857114 /nfs/dbraw/zinc/85/71/14/1024857114.db2.gz JPONGNISEFAMGS-UHFFFAOYSA-N -1 3 349.419 3.566 20 0 EHADHM Cc1cccc2cc(C(=O)Nc3ccc(Cc4nn[n-]n4)cc3)sc21 ZINC000514890453 1024857126 /nfs/dbraw/zinc/85/71/26/1024857126.db2.gz JPONGNISEFAMGS-UHFFFAOYSA-N -1 3 349.419 3.566 20 0 EHADHM Cc1[nH]ccc1C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000427951149 1024900877 /nfs/dbraw/zinc/90/08/77/1024900877.db2.gz OZXJGZODPAVWSB-UHFFFAOYSA-N -1 3 335.194 3.694 20 0 EHADHM Cc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)c([O-])c1C ZINC000048678283 1024920028 /nfs/dbraw/zinc/92/00/28/1024920028.db2.gz KROVUNCEFPCHHE-UHFFFAOYSA-N -1 3 326.396 3.856 20 0 EHADHM O=C(Cc1ccc(Cl)cc1)Nc1ccc(Br)cc1[O-] ZINC000515078301 1025001497 /nfs/dbraw/zinc/00/14/97/1025001497.db2.gz NQWARILDCZUIKS-UHFFFAOYSA-N -1 3 340.604 3.989 20 0 EHADHM CC[C@H](CC(C)C)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000449804247 1033256035 /nfs/dbraw/zinc/25/60/35/1033256035.db2.gz LYKFAAYJHJAWDC-CQSZACIVSA-N -1 3 327.428 3.756 20 0 EHADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1ccc(F)cc1C(F)(F)F ZINC000435673087 1025074449 /nfs/dbraw/zinc/07/44/49/1025074449.db2.gz ALRPSEMFNLVUIS-UHFFFAOYSA-N -1 3 349.287 3.909 20 0 EHADHM O=C(Nc1ccccc1OC1CCCC1)c1cc(F)cc2n[n-]nc21 ZINC000277463979 1025195470 /nfs/dbraw/zinc/19/54/70/1025195470.db2.gz PDDJNTJSYILBDV-UHFFFAOYSA-N -1 3 340.358 3.671 20 0 EHADHM [O-]c1coc2cc(OCc3ccc(F)c(Br)c3)ccc12 ZINC000057524000 1025224253 /nfs/dbraw/zinc/22/42/53/1025224253.db2.gz MAZASALNAODDIT-UHFFFAOYSA-N -1 3 337.144 3.742 20 0 EHADHM CC(=O)c1ccc(C(=O)[N-]c2n[nH]c(-c3ccc(Cl)cc3)n2)s1 ZINC000521208529 1025265174 /nfs/dbraw/zinc/26/51/74/1025265174.db2.gz BLIFWOUEZBDACE-UHFFFAOYSA-N -1 3 346.799 3.642 20 0 EHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCS[C@H](C)C3)nc2)n1 ZINC000896246707 1025274228 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CC(C)Oc1cccc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)n1 ZINC000436523088 1025826378 /nfs/dbraw/zinc/82/63/78/1025826378.db2.gz ZLHWOPIBWCWVMC-UHFFFAOYSA-N -1 3 340.301 3.846 20 0 EHADHM O=C(NCCc1cscn1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436555679 1025862855 /nfs/dbraw/zinc/86/28/55/1025862855.db2.gz NADOBTPEGHZCGZ-UHFFFAOYSA-N -1 3 340.404 3.614 20 0 EHADHM Cc1nnc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])s1 ZINC000436554070 1025863111 /nfs/dbraw/zinc/86/31/11/1025863111.db2.gz GOMMDCBVXIJYBF-UHFFFAOYSA-N -1 3 327.365 3.597 20 0 EHADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000451359355 1025867131 /nfs/dbraw/zinc/86/71/31/1025867131.db2.gz IQRSVARXJQTDLD-HOCLYGCPSA-N -1 3 331.362 3.665 20 0 EHADHM Cc1ccc(C(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)c([O-])c1 ZINC000436539909 1025869496 /nfs/dbraw/zinc/86/94/96/1025869496.db2.gz UZKQKUQDANJOIV-CQSZACIVSA-N -1 3 344.386 3.683 20 0 EHADHM CC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436541439 1025870460 /nfs/dbraw/zinc/87/04/60/1025870460.db2.gz 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COc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000063911158 214776113 /nfs/dbraw/zinc/77/61/13/214776113.db2.gz RATNWHRQMFOCTC-UHFFFAOYSA-N -1 3 349.305 3.654 20 0 EHADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000078776720 217120345 /nfs/dbraw/zinc/12/03/45/217120345.db2.gz FMPJBLMEDFBJLN-SNVBAGLBSA-N -1 3 347.846 3.520 20 0 EHADHM Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000123341715 222259235 /nfs/dbraw/zinc/25/92/35/222259235.db2.gz XSFQOHMAOSOVMG-UHFFFAOYSA-N -1 3 347.378 3.725 20 0 EHADHM Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000123341715 222259237 /nfs/dbraw/zinc/25/92/37/222259237.db2.gz XSFQOHMAOSOVMG-UHFFFAOYSA-N -1 3 347.378 3.725 20 0 EHADHM Cc1cccc([C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737385009 598829647 /nfs/dbraw/zinc/82/96/47/598829647.db2.gz QDTTVJJYXQFTFF-NSHDSACASA-N -1 3 341.802 3.571 20 0 EHADHM Cc1cccc([C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737385009 598829648 /nfs/dbraw/zinc/82/96/48/598829648.db2.gz QDTTVJJYXQFTFF-NSHDSACASA-N -1 3 341.802 3.571 20 0 EHADHM CCc1ccc(-c2noc(C=Cc3ccccc3-c3nnn[n-]3)n2)cc1 ZINC000736676201 598859969 /nfs/dbraw/zinc/85/99/69/598859969.db2.gz CCZJGDFOVHIJIJ-QXMHVHEDSA-N -1 3 344.378 3.650 20 0 EHADHM CCc1ccc(-c2noc(C=Cc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000736676201 598859970 /nfs/dbraw/zinc/85/99/70/598859970.db2.gz CCZJGDFOVHIJIJ-QXMHVHEDSA-N -1 3 344.378 3.650 20 0 EHADHM CC(C)[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000735735297 598935601 /nfs/dbraw/zinc/93/56/01/598935601.db2.gz QWWUHSBVKKZWGQ-CQSZACIVSA-N -1 3 328.807 3.724 20 0 EHADHM CC(C)[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000735735297 598935603 /nfs/dbraw/zinc/93/56/03/598935603.db2.gz QWWUHSBVKKZWGQ-CQSZACIVSA-N -1 3 328.807 3.724 20 0 EHADHM Cc1c(NCc2nc(C(C)(C)C)cs2)cccc1-c1nnn[n-]1 ZINC000822122383 607256774 /nfs/dbraw/zinc/25/67/74/607256774.db2.gz LMZNKKSOIOJKOL-UHFFFAOYSA-N -1 3 328.445 3.541 20 0 EHADHM Cc1c(NCc2nc(C(C)(C)C)cs2)cccc1-c1nn[n-]n1 ZINC000822122383 607256775 /nfs/dbraw/zinc/25/67/75/607256775.db2.gz LMZNKKSOIOJKOL-UHFFFAOYSA-N -1 3 328.445 3.541 20 0 EHADHM FC(F)Sc1ccc(CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737639389 599324685 /nfs/dbraw/zinc/32/46/85/599324685.db2.gz SLNWPSWIVZTRRY-UHFFFAOYSA-N -1 3 333.367 3.794 20 0 EHADHM CC(C)C[C@H]1CCCCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735796155 599011837 /nfs/dbraw/zinc/01/18/37/599011837.db2.gz VJRLURYPUHTKDZ-MRXNPFEDSA-N -1 3 342.447 3.689 20 0 EHADHM CC(C)C[C@H]1CCCCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735796155 599011838 /nfs/dbraw/zinc/01/18/38/599011838.db2.gz VJRLURYPUHTKDZ-MRXNPFEDSA-N -1 3 342.447 3.689 20 0 EHADHM Cc1c2ccccc2oc1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737214972 599058424 /nfs/dbraw/zinc/05/84/24/599058424.db2.gz CCMSFTJPINEHME-UHFFFAOYSA-N -1 3 340.774 3.582 20 0 EHADHM Cc1c2ccccc2oc1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737214972 599058427 /nfs/dbraw/zinc/05/84/27/599058427.db2.gz CCMSFTJPINEHME-UHFFFAOYSA-N -1 3 340.774 3.582 20 0 EHADHM C[C@@H](CNc1ccc(Cl)cc1-c1nnn[n-]1)Oc1ccc(F)cc1 ZINC000820281118 599069759 /nfs/dbraw/zinc/06/97/59/599069759.db2.gz ROGKTLHIPJETRH-JTQLQIEISA-N -1 3 347.781 3.539 20 0 EHADHM C[C@@H](CNc1ccc(Cl)cc1-c1nn[n-]n1)Oc1ccc(F)cc1 ZINC000820281118 599069761 /nfs/dbraw/zinc/06/97/61/599069761.db2.gz ROGKTLHIPJETRH-JTQLQIEISA-N -1 3 347.781 3.539 20 0 EHADHM CCN(C(=O)[C@@H]1CCC[C@H](C)C1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502342 599070652 /nfs/dbraw/zinc/07/06/52/599070652.db2.gz LYWMFVYMRNWGCL-GRDNDAEWSA-N -1 3 341.459 3.603 20 0 EHADHM CCN(C(=O)[C@@H]1CCC[C@H](C)C1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502342 599070655 /nfs/dbraw/zinc/07/06/55/599070655.db2.gz LYWMFVYMRNWGCL-GRDNDAEWSA-N -1 3 341.459 3.603 20 0 EHADHM CS[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000821950140 599072634 /nfs/dbraw/zinc/07/26/34/599072634.db2.gz LBMSSCMMNOOUOJ-SCZZXKLOSA-N -1 3 343.378 3.582 20 0 EHADHM CS[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 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O=C(Nc1ccc(-c2nnn[n-]2)cc1)C1CCC(c2ccccc2)CC1 ZINC000463612333 599133705 /nfs/dbraw/zinc/13/37/05/599133705.db2.gz IZCGYWIDCFRCRG-UHFFFAOYSA-N -1 3 347.422 3.779 20 0 EHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C1CCC(c2ccccc2)CC1 ZINC000463612333 599133707 /nfs/dbraw/zinc/13/37/07/599133707.db2.gz IZCGYWIDCFRCRG-UHFFFAOYSA-N -1 3 347.422 3.779 20 0 EHADHM O=C(/C=C\C1CC1)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822924083 599152089 /nfs/dbraw/zinc/15/20/89/599152089.db2.gz WSZNUEAKWVMNBY-WDZFZDKYSA-N -1 3 347.378 3.564 20 0 EHADHM O=C(/C=C\C1CC1)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822924083 599152091 /nfs/dbraw/zinc/15/20/91/599152091.db2.gz WSZNUEAKWVMNBY-WDZFZDKYSA-N -1 3 347.378 3.564 20 0 EHADHM S=C(NCCCCC1CCCC1)Nc1ccccc1-c1nnn[n-]1 ZINC000823733000 599231732 /nfs/dbraw/zinc/23/17/32/599231732.db2.gz RHZSNIQPCZRHKK-UHFFFAOYSA-N -1 3 344.488 3.514 20 0 EHADHM S=C(NCCCCC1CCCC1)Nc1ccccc1-c1nn[n-]n1 ZINC000823733000 599231734 /nfs/dbraw/zinc/23/17/34/599231734.db2.gz RHZSNIQPCZRHKK-UHFFFAOYSA-N -1 3 344.488 3.514 20 0 EHADHM Cc1c(NC(=O)c2ccc(Cl)c(Cl)c2)cccc1-c1nnn[n-]1 ZINC000822107661 607267255 /nfs/dbraw/zinc/26/72/55/607267255.db2.gz BEJQAFMONKZPNA-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1c(NC(=O)c2ccc(Cl)c(Cl)c2)cccc1-c1nn[n-]n1 ZINC000822107661 607267256 /nfs/dbraw/zinc/26/72/56/607267256.db2.gz BEJQAFMONKZPNA-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1cc2[nH]c(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)cc2c(C)c1 ZINC000822195629 607267521 /nfs/dbraw/zinc/26/75/21/607267521.db2.gz YUJGVMQMTYHDLN-UHFFFAOYSA-N -1 3 346.394 3.526 20 0 EHADHM Cc1cc2[nH]c(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)cc2c(C)c1 ZINC000822195629 607267522 /nfs/dbraw/zinc/26/75/22/607267522.db2.gz YUJGVMQMTYHDLN-UHFFFAOYSA-N -1 3 346.394 3.526 20 0 EHADHM Cc1c(NC(=O)c2cc3sccc3s2)cccc1-c1nnn[n-]1 ZINC000822109650 607269939 /nfs/dbraw/zinc/26/99/39/607269939.db2.gz SLZPKIGCIAOAPZ-UHFFFAOYSA-N -1 3 341.421 3.704 20 0 EHADHM Cc1c(NC(=O)c2cc3sccc3s2)cccc1-c1nn[n-]n1 ZINC000822109650 607269940 /nfs/dbraw/zinc/26/99/40/607269940.db2.gz SLZPKIGCIAOAPZ-UHFFFAOYSA-N -1 3 341.421 3.704 20 0 EHADHM C[C@@H]1CCC[C@H](C)CN1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820698337 599247064 /nfs/dbraw/zinc/24/70/64/599247064.db2.gz SXADXZDVDOQLRJ-WDEREUQCSA-N -1 3 348.838 3.563 20 0 EHADHM C[C@@H]1CCC[C@H](C)CN1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820698337 599247067 /nfs/dbraw/zinc/24/70/67/599247067.db2.gz SXADXZDVDOQLRJ-WDEREUQCSA-N -1 3 348.838 3.563 20 0 EHADHM FC(F)c1cccc(NCCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737638667 598249759 /nfs/dbraw/zinc/24/97/59/598249759.db2.gz JKPAOCJDLDQZJU-UHFFFAOYSA-N -1 3 345.353 3.685 20 0 EHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCCc1ccccc1 ZINC000737627287 598274008 /nfs/dbraw/zinc/27/40/08/598274008.db2.gz OSTNUMWHTBMPHM-UHFFFAOYSA-N -1 3 333.317 3.540 20 0 EHADHM CCCCCC[C@@H](C)CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736447139 598297554 /nfs/dbraw/zinc/29/75/54/598297554.db2.gz QZWOKKMVELSZOJ-CYBMUJFWSA-N -1 3 347.438 3.619 20 0 EHADHM CCCCCC[C@@H](C)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736447139 598297555 /nfs/dbraw/zinc/29/75/55/598297555.db2.gz QZWOKKMVELSZOJ-CYBMUJFWSA-N -1 3 347.438 3.619 20 0 EHADHM CC[C@@H](COC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736355047 598331277 /nfs/dbraw/zinc/33/12/77/598331277.db2.gz XDOFSKJOQUGFHJ-LLNWESEBSA-N -1 3 348.406 3.617 20 0 EHADHM CC[C@@H](COC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000736355047 598331278 /nfs/dbraw/zinc/33/12/78/598331278.db2.gz XDOFSKJOQUGFHJ-LLNWESEBSA-N -1 3 348.406 3.617 20 0 EHADHM CC(C)c1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000735928120 598391774 /nfs/dbraw/zinc/39/17/74/598391774.db2.gz FYDNLSZIXALPQN-UHFFFAOYSA-N -1 3 328.807 3.651 20 0 EHADHM CC(C)c1ccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000735928120 598391776 /nfs/dbraw/zinc/39/17/76/598391776.db2.gz FYDNLSZIXALPQN-UHFFFAOYSA-N -1 3 328.807 3.651 20 0 EHADHM CC(C)CC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735758164 598554600 /nfs/dbraw/zinc/55/46/00/598554600.db2.gz XSPBDMZWWNDKOM-UHFFFAOYSA-N -1 3 337.383 3.644 20 0 EHADHM CC(C)CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735758164 598554601 /nfs/dbraw/zinc/55/46/01/598554601.db2.gz XSPBDMZWWNDKOM-UHFFFAOYSA-N -1 3 337.383 3.644 20 0 EHADHM CCC[C@@H]1CCCC[C@@H]1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736438455 598607661 /nfs/dbraw/zinc/60/76/61/598607661.db2.gz ZXLXBJSDGFNTNQ-OCCSQVGLSA-N -1 3 344.488 3.512 20 0 EHADHM CCC[C@@H]1CCCC[C@@H]1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736438455 598607663 /nfs/dbraw/zinc/60/76/63/598607663.db2.gz ZXLXBJSDGFNTNQ-OCCSQVGLSA-N -1 3 344.488 3.512 20 0 EHADHM Clc1cccc(-c2nnn[n-]2)c1N1CCC[C@H]1c1cccs1 ZINC000737574391 598630769 /nfs/dbraw/zinc/63/07/69/598630769.db2.gz JTLILZSXXBTEPF-LBPRGKRZSA-N -1 3 331.832 3.923 20 0 EHADHM Clc1cccc(-c2nn[n-]n2)c1N1CCC[C@H]1c1cccs1 ZINC000737574391 598630770 /nfs/dbraw/zinc/63/07/70/598630770.db2.gz JTLILZSXXBTEPF-LBPRGKRZSA-N -1 3 331.832 3.923 20 0 EHADHM C/C=C/c1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)c(OC)c1 ZINC000736305323 598673925 /nfs/dbraw/zinc/67/39/25/598673925.db2.gz UNEJDMSQZKAPHH-ONEGZZNKSA-N -1 3 340.358 3.627 20 0 EHADHM C/C=C/c1ccc(OCc2ccc(F)cc2-c2nn[n-]n2)c(OC)c1 ZINC000736305323 598673927 /nfs/dbraw/zinc/67/39/27/598673927.db2.gz UNEJDMSQZKAPHH-ONEGZZNKSA-N -1 3 340.358 3.627 20 0 EHADHM CC[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)c1ccccc1 ZINC000736331271 598737539 /nfs/dbraw/zinc/73/75/39/598737539.db2.gz IPUXVWURNWIBSA-AWEZNQCLSA-N -1 3 335.411 3.698 20 0 EHADHM CC[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)c1ccccc1 ZINC000736331271 598737540 /nfs/dbraw/zinc/73/75/40/598737540.db2.gz IPUXVWURNWIBSA-AWEZNQCLSA-N -1 3 335.411 3.698 20 0 EHADHM CC[C@@H](Nc1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1OC ZINC000736369044 598814346 /nfs/dbraw/zinc/81/43/46/598814346.db2.gz KANIKZPAJMKLJW-CQSZACIVSA-N -1 3 345.353 3.717 20 0 EHADHM CC[C@@H](Nc1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1OC ZINC000736369044 598814348 /nfs/dbraw/zinc/81/43/48/598814348.db2.gz KANIKZPAJMKLJW-CQSZACIVSA-N -1 3 345.353 3.717 20 0 EHADHM COc1ccc([C@H](C)Nc2cccc(Cl)c2-c2nnn[n-]2)cc1F ZINC000821777981 599331703 /nfs/dbraw/zinc/33/17/03/599331703.db2.gz QUILUBFXEKYFKK-VIFPVBQESA-N -1 3 347.781 3.841 20 0 EHADHM COc1ccc([C@H](C)Nc2cccc(Cl)c2-c2nn[n-]n2)cc1F ZINC000821777981 599331705 /nfs/dbraw/zinc/33/17/05/599331705.db2.gz QUILUBFXEKYFKK-VIFPVBQESA-N -1 3 347.781 3.841 20 0 EHADHM Clc1cccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000737575239 599393228 /nfs/dbraw/zinc/39/32/28/599393228.db2.gz NYDYVJXWHXXJLH-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM Clc1cccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000737575239 599393230 /nfs/dbraw/zinc/39/32/30/599393230.db2.gz NYDYVJXWHXXJLH-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM c1ccc2c(c1)CCC[C@@H]2Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000738439605 599394916 /nfs/dbraw/zinc/39/49/16/599394916.db2.gz ASYRBUKCYDCDTG-KRWDZBQOSA-N -1 3 342.406 3.904 20 0 EHADHM c1ccc2c(c1)CCC[C@@H]2Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000738439605 599394920 /nfs/dbraw/zinc/39/49/20/599394920.db2.gz ASYRBUKCYDCDTG-KRWDZBQOSA-N -1 3 342.406 3.904 20 0 EHADHM CCCCc1noc([C@@H](C)SCc2cccc(-c3nnn[n-]3)c2)n1 ZINC000736466807 599451708 /nfs/dbraw/zinc/45/17/08/599451708.db2.gz OFLGNFBWLRNKJY-LLVKDONJSA-N -1 3 344.444 3.587 20 0 EHADHM CCCCc1noc([C@@H](C)SCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000736466807 599451709 /nfs/dbraw/zinc/45/17/09/599451709.db2.gz OFLGNFBWLRNKJY-LLVKDONJSA-N -1 3 344.444 3.587 20 0 EHADHM CCCC[C@@H](CC)CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821039164 599534421 /nfs/dbraw/zinc/53/44/21/599534421.db2.gz ARTAJHVSCPPPED-ZIAGYGMSSA-N -1 3 329.448 3.650 20 0 EHADHM CCCC[C@@H](CC)CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821039164 599534424 /nfs/dbraw/zinc/53/44/24/599534424.db2.gz ARTAJHVSCPPPED-ZIAGYGMSSA-N -1 3 329.448 3.650 20 0 EHADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1ccc(F)cc1-c1nnn[n-]1 ZINC000820668440 599564129 /nfs/dbraw/zinc/56/41/29/599564129.db2.gz SNFUCVITHZLDDO-DGCLKSJQSA-N -1 3 341.365 3.527 20 0 EHADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1ccc(F)cc1-c1nn[n-]n1 ZINC000820668440 599564131 /nfs/dbraw/zinc/56/41/31/599564131.db2.gz SNFUCVITHZLDDO-DGCLKSJQSA-N -1 3 341.365 3.527 20 0 EHADHM CC(C)N(CCC(=O)[O-])Cc1ccc(Br)cc1Cl ZINC000168220298 600219752 /nfs/dbraw/zinc/21/97/52/600219752.db2.gz GCJIZNMSEGKBHC-UHFFFAOYSA-N -1 3 334.641 3.788 20 0 EHADHM Cc1ccccc1N(C(=O)c1ccc(-c2nnn[n-]2)cc1C)C(C)C ZINC000826244344 607432185 /nfs/dbraw/zinc/43/21/85/607432185.db2.gz OUDHGVXXMBSBTD-UHFFFAOYSA-N -1 3 335.411 3.539 20 0 EHADHM Cc1ccccc1N(C(=O)c1ccc(-c2nn[n-]n2)cc1C)C(C)C ZINC000826244344 607432186 /nfs/dbraw/zinc/43/21/86/607432186.db2.gz OUDHGVXXMBSBTD-UHFFFAOYSA-N -1 3 335.411 3.539 20 0 EHADHM CCCN(CCCC(=O)[O-])CC(=O)Nc1cc(Cl)ccc1Cl ZINC000122149893 600316659 /nfs/dbraw/zinc/31/66/59/600316659.db2.gz YZJOXIUAKWTIGN-UHFFFAOYSA-N -1 3 347.242 3.509 20 0 EHADHM Cc1[nH]c2ccc(CN[C@H](C(=O)[O-])c3ccc(F)cc3)cc2c1C ZINC000738247267 600429075 /nfs/dbraw/zinc/42/90/75/600429075.db2.gz YYLINXYFDGTSEO-SFHVURJKSA-N -1 3 326.371 3.839 20 0 EHADHM O=C([O-])[C@H](NCCOc1cccc2ccccc21)c1ccccc1F ZINC000833166647 600741389 /nfs/dbraw/zinc/74/13/89/600741389.db2.gz SGWRQXFTHFHFRC-LJQANCHMSA-N -1 3 339.366 3.773 20 0 EHADHM C[C@H](c1cccc(O)c1)N(C)CCOc1ccc(C(=O)[O-])cc1Cl ZINC000827940935 601006527 /nfs/dbraw/zinc/00/65/27/601006527.db2.gz JGPMOADHVQUFEN-GFCCVEGCSA-N -1 3 349.814 3.816 20 0 EHADHM Cc1ccc(OC2CCN([C@@H](C(=O)[O-])c3ccccc3F)CC2)cc1 ZINC000574525234 601012081 /nfs/dbraw/zinc/01/20/81/601012081.db2.gz NJCAVGMZNMRANN-LJQANCHMSA-N -1 3 343.398 3.803 20 0 EHADHM O=C([O-])[C@@H](c1ccccc1F)N1CCS[C@H](c2ccccc2)C1 ZINC000833174894 601015269 /nfs/dbraw/zinc/01/52/69/601015269.db2.gz YNFMORWUHARGCQ-DLBZAZTESA-N -1 3 331.412 3.742 20 0 EHADHM CC(C)(C)n1ncc2c1CCC[C@H]2N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736310896 601102189 /nfs/dbraw/zinc/10/21/89/601102189.db2.gz ZBUGHGKMEKGMNF-NVXWUHKLSA-N -1 3 345.418 3.570 20 0 EHADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H]1c1ccccc1OC ZINC000830369137 601415883 /nfs/dbraw/zinc/41/58/83/601415883.db2.gz KAMSDRYIIBOKEZ-HNNXBMFYSA-N -1 3 329.396 3.886 20 0 EHADHM O=C([O-])c1cccc(CN2CC[C@@H](OCCCc3ccccc3)C2)c1 ZINC000263476327 601464804 /nfs/dbraw/zinc/46/48/04/601464804.db2.gz MRSXSKMOTZIDNL-HXUWFJFHSA-N -1 3 339.435 3.609 20 0 EHADHM Cc1sc(C(=O)[O-])cc1CN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000833033255 601628969 /nfs/dbraw/zinc/62/89/69/601628969.db2.gz XDBODHXNQAOYDY-CQSZACIVSA-N -1 3 345.420 3.821 20 0 EHADHM CCOc1ccc(-c2nc(CN[C@@H](C(=O)[O-])C(C)(C)C)cs2)cc1 ZINC000830054177 601869814 /nfs/dbraw/zinc/86/98/14/601869814.db2.gz QRBCEGTYESOTCQ-HNNXBMFYSA-N -1 3 348.468 3.798 20 0 EHADHM c1csc(COc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000826526841 607531394 /nfs/dbraw/zinc/53/13/94/607531394.db2.gz OPUDKWGMFQHZRZ-UHFFFAOYSA-N -1 3 335.392 3.569 20 0 EHADHM c1csc(COc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000826526841 607531396 /nfs/dbraw/zinc/53/13/96/607531396.db2.gz OPUDKWGMFQHZRZ-UHFFFAOYSA-N -1 3 335.392 3.569 20 0 EHADHM C[C@@H](CCC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824402031 607532061 /nfs/dbraw/zinc/53/20/61/607532061.db2.gz TWGGEFYBVPSLAK-GJZGRUSLSA-N -1 3 349.438 3.628 20 0 EHADHM C[C@@H](CCC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824402031 607532063 /nfs/dbraw/zinc/53/20/63/607532063.db2.gz TWGGEFYBVPSLAK-GJZGRUSLSA-N -1 3 349.438 3.628 20 0 EHADHM CCc1ccc(-c2nc(CN3CC[C@@](C)(C(=O)[O-])C3)cs2)cc1 ZINC000263219831 601911867 /nfs/dbraw/zinc/91/18/67/601911867.db2.gz YMMIWPPIKBJUBE-GOSISDBHSA-N -1 3 330.453 3.669 20 0 EHADHM Cc1nc(C2CCN(Cc3ccc(C(=O)[O-])s3)CC2)sc1C ZINC000832997015 601948073 /nfs/dbraw/zinc/94/80/73/601948073.db2.gz MTVAXOJFTUMNLN-UHFFFAOYSA-N -1 3 336.482 3.899 20 0 EHADHM COc1cc(OC)cc([C@H](N[C@H](C)c2ccc(C)c(F)c2)C(=O)[O-])c1 ZINC000832048844 602175552 /nfs/dbraw/zinc/17/55/52/602175552.db2.gz BGEBADMQJPYJQD-XIKOKIGWSA-N -1 3 347.386 3.628 20 0 EHADHM CCC(CC)(CC(=O)[O-])NCc1c(F)c(F)c(F)c(F)c1F ZINC000828799447 602211671 /nfs/dbraw/zinc/21/16/71/602211671.db2.gz ANQJBURXIOVYNB-UHFFFAOYSA-N -1 3 325.277 3.505 20 0 EHADHM Cc1ccc([C@H](C)N(C)C(=O)c2ccc(-c3nnn[n-]3)cc2C)c(C)c1 ZINC000826283055 607660769 /nfs/dbraw/zinc/66/07/69/607660769.db2.gz JIWLZJUOEDOVJC-HNNXBMFYSA-N -1 3 349.438 3.625 20 0 EHADHM Cc1ccc([C@H](C)N(C)C(=O)c2ccc(-c3nn[n-]n3)cc2C)c(C)c1 ZINC000826283055 607660771 /nfs/dbraw/zinc/66/07/71/607660771.db2.gz JIWLZJUOEDOVJC-HNNXBMFYSA-N -1 3 349.438 3.625 20 0 EHADHM Cc1ccc(-c2cc(CN3CCC[C@@H]([C@H](C)NC(=O)[O-])C3)on2)cc1 ZINC000830148730 604234625 /nfs/dbraw/zinc/23/46/25/604234625.db2.gz HGDCTXYDOMZCHN-GOEBONIOSA-N -1 3 343.427 3.518 20 0 EHADHM COc1ccc(CNc2cccc3ccsc32)cc1-c1nnn[n-]1 ZINC000826203726 607687249 /nfs/dbraw/zinc/68/72/49/607687249.db2.gz DDPZAUBIRFWQEQ-UHFFFAOYSA-N -1 3 337.408 3.702 20 0 EHADHM COc1ccc(CNc2cccc3ccsc32)cc1-c1nn[n-]n1 ZINC000826203726 607687250 /nfs/dbraw/zinc/68/72/50/607687250.db2.gz DDPZAUBIRFWQEQ-UHFFFAOYSA-N -1 3 337.408 3.702 20 0 EHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCCC[C@@H]1CC(C)C ZINC000826245113 607694814 /nfs/dbraw/zinc/69/48/14/607694814.db2.gz OCVJCIMVKLQCRJ-MRXNPFEDSA-N -1 3 341.459 3.606 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCCC[C@@H]1CC(C)C ZINC000826245113 607694816 /nfs/dbraw/zinc/69/48/16/607694816.db2.gz OCVJCIMVKLQCRJ-MRXNPFEDSA-N -1 3 341.459 3.606 20 0 EHADHM C[C@H](Oc1ccc(CN2CCCC[C@@H]2c2cccn2C)cc1)C(=O)[O-] ZINC000833538464 604680224 /nfs/dbraw/zinc/68/02/24/604680224.db2.gz COELITAKWXQDFG-HNAYVOBHSA-N -1 3 342.439 3.604 20 0 EHADHM Clc1cccc2c1CC[C@@H]2Sc1ccc(-c2nnn[n-]2)cn1 ZINC000826353100 607712485 /nfs/dbraw/zinc/71/24/85/607712485.db2.gz BDTNXAHPNKBGTH-ZDUSSCGKSA-N -1 3 329.816 3.695 20 0 EHADHM Clc1cccc2c1CC[C@@H]2Sc1ccc(-c2nn[n-]n2)cn1 ZINC000826353100 607712487 /nfs/dbraw/zinc/71/24/87/607712487.db2.gz BDTNXAHPNKBGTH-ZDUSSCGKSA-N -1 3 329.816 3.695 20 0 EHADHM C[C@]1(NCc2csc(Cc3ccccc3)n2)CCCC[C@H]1C(=O)[O-] ZINC000833567964 604815119 /nfs/dbraw/zinc/81/51/19/604815119.db2.gz BRXKPYXQOLPOPM-LPHOPBHVSA-N -1 3 344.480 3.857 20 0 EHADHM C[C@@]1(NCc2nnc(-c3ccc(Cl)cc3)o2)CCCC[C@@H]1C(=O)[O-] ZINC000833570939 604819528 /nfs/dbraw/zinc/81/95/28/604819528.db2.gz WQQSOIYGFKOZBY-CXAGYDPISA-N -1 3 349.818 3.513 20 0 EHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000833546977 605047285 /nfs/dbraw/zinc/04/72/85/605047285.db2.gz OCDDYRKTTWROCL-IUODEOHRSA-N -1 3 345.370 3.915 20 0 EHADHM C[C@@]1(NCc2ncc(-c3ccccc3F)o2)CCCC[C@@H]1C(=O)[O-] ZINC000833567974 605062914 /nfs/dbraw/zinc/06/29/14/605062914.db2.gz CBVYFSFYVXEPDT-FZKQIMNGSA-N -1 3 332.375 3.604 20 0 EHADHM C[C@@H](C[C@H](O)c1cccs1)Nc1c(Cl)cccc1-c1nnn[n-]1 ZINC000824390911 607732273 /nfs/dbraw/zinc/73/22/73/607732273.db2.gz FIJXBERYUSSWJM-CABZTGNLSA-N -1 3 349.847 3.506 20 0 EHADHM C[C@@H](C[C@H](O)c1cccs1)Nc1c(Cl)cccc1-c1nn[n-]n1 ZINC000824390911 607732275 /nfs/dbraw/zinc/73/22/75/607732275.db2.gz FIJXBERYUSSWJM-CABZTGNLSA-N -1 3 349.847 3.506 20 0 EHADHM Cc1nc(C)c([C@H](C)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)s1 ZINC000830716738 605119998 /nfs/dbraw/zinc/11/99/98/605119998.db2.gz XERUDZJHPUDVRJ-MNOVXSKESA-N -1 3 333.457 3.939 20 0 EHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2ccccc2OC(F)(F)F)C1 ZINC000325399882 605551427 /nfs/dbraw/zinc/55/14/27/605551427.db2.gz YCLLHPVEJRIZOQ-CYBMUJFWSA-N -1 3 345.361 3.908 20 0 EHADHM O=C([O-])N[C@H]1C[C@@H](NCc2ccc(OC(F)F)cc2)c2ccccc21 ZINC000834157829 605789292 /nfs/dbraw/zinc/78/92/92/605789292.db2.gz KZOKIGYNXAYOOS-CVEARBPZSA-N -1 3 348.349 3.831 20 0 EHADHM CCC(CC)N(CC(C)C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820897347 606333829 /nfs/dbraw/zinc/33/38/29/606333829.db2.gz ASHNMGFEWVEXGU-UHFFFAOYSA-N -1 3 330.436 3.545 20 0 EHADHM CCC(CC)N(CC(C)C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820897347 606333831 /nfs/dbraw/zinc/33/38/31/606333831.db2.gz ASHNMGFEWVEXGU-UHFFFAOYSA-N -1 3 330.436 3.545 20 0 EHADHM C[C@H](OC(=O)c1cc2ccccc2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820507605 606341326 /nfs/dbraw/zinc/34/13/26/606341326.db2.gz INEJLWUHSPEPMO-NSHDSACASA-N -1 3 334.335 3.531 20 0 EHADHM C[C@H](OC(=O)c1cc2ccccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820507605 606341328 /nfs/dbraw/zinc/34/13/28/606341328.db2.gz INEJLWUHSPEPMO-NSHDSACASA-N -1 3 334.335 3.531 20 0 EHADHM CC(C)COc1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000820103262 606410638 /nfs/dbraw/zinc/41/06/38/606410638.db2.gz RRHGCDZVNVNUGX-UHFFFAOYSA-N -1 3 329.429 3.575 20 0 EHADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000822231818 606475674 /nfs/dbraw/zinc/47/56/74/606475674.db2.gz IKSYWEXZMWZNFP-KSSFIOAISA-N -1 3 334.427 3.548 20 0 EHADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000822231818 606475676 /nfs/dbraw/zinc/47/56/76/606475676.db2.gz IKSYWEXZMWZNFP-KSSFIOAISA-N -1 3 334.427 3.548 20 0 EHADHM FC(F)(F)[C@H]1CCC[C@H](CNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000822714364 606595280 /nfs/dbraw/zinc/59/52/80/606595280.db2.gz MEXSSTKVDPBGPF-JQWIXIFHSA-N -1 3 325.338 3.647 20 0 EHADHM CCCCCC(C)(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821042464 606604059 /nfs/dbraw/zinc/60/40/59/606604059.db2.gz BECIYWRJXBHPSA-ZDUSSCGKSA-N -1 3 329.448 3.650 20 0 EHADHM CCCCCC(C)(C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821042464 606604060 /nfs/dbraw/zinc/60/40/60/606604060.db2.gz BECIYWRJXBHPSA-ZDUSSCGKSA-N -1 3 329.448 3.650 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)c1ccc(Cl)s1 ZINC000822216482 606630548 /nfs/dbraw/zinc/63/05/48/606630548.db2.gz PXISVFQYIIXKMV-SECBINFHSA-N -1 3 347.831 3.632 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)c1ccc(Cl)s1 ZINC000822216482 606630549 /nfs/dbraw/zinc/63/05/49/606630549.db2.gz PXISVFQYIIXKMV-SECBINFHSA-N -1 3 347.831 3.632 20 0 EHADHM CCCCC[C@@H](C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000821043704 606667643 /nfs/dbraw/zinc/66/76/43/606667643.db2.gz SVKZDTWCYUDRDY-QGZVFWFLSA-N -1 3 343.475 3.678 20 0 EHADHM CCCCC[C@@H](C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000821043704 606667644 /nfs/dbraw/zinc/66/76/44/606667644.db2.gz SVKZDTWCYUDRDY-QGZVFWFLSA-N -1 3 343.475 3.678 20 0 EHADHM CCCCC[C@@H](C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821042596 606667746 /nfs/dbraw/zinc/66/77/46/606667746.db2.gz FYFDSRAWLXYCML-QGZVFWFLSA-N -1 3 343.475 3.678 20 0 EHADHM CCCCC[C@@H](C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821042596 606667747 /nfs/dbraw/zinc/66/77/47/606667747.db2.gz FYFDSRAWLXYCML-QGZVFWFLSA-N -1 3 343.475 3.678 20 0 EHADHM CCc1noc(C)c1CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821554799 606859908 /nfs/dbraw/zinc/85/99/08/606859908.db2.gz SIVBWGRCRFNXJK-LLVKDONJSA-N -1 3 329.429 3.720 20 0 EHADHM CCc1noc(C)c1CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821554799 606859910 /nfs/dbraw/zinc/85/99/10/606859910.db2.gz SIVBWGRCRFNXJK-LLVKDONJSA-N -1 3 329.429 3.720 20 0 EHADHM CC1(C)C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2)c2ccc(F)cc2O1 ZINC000820590594 607041843 /nfs/dbraw/zinc/04/18/43/607041843.db2.gz XBFMGEVIZGWAMM-OAHLLOKOSA-N -1 3 339.374 3.720 20 0 EHADHM CC[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000820843335 607240222 /nfs/dbraw/zinc/24/02/22/607240222.db2.gz WNQPRCWMKQYYLN-ZDUSSCGKSA-N -1 3 341.802 3.652 20 0 EHADHM CC[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000820843335 607240223 /nfs/dbraw/zinc/24/02/23/607240223.db2.gz WNQPRCWMKQYYLN-ZDUSSCGKSA-N -1 3 341.802 3.652 20 0 EHADHM Fc1ccc2c(c1)[C@@H](Sc1ccc(-c3nnn[n-]3)cn1)CCC2 ZINC000826375790 607809023 /nfs/dbraw/zinc/80/90/23/607809023.db2.gz BSPBKAGCHNWNOA-AWEZNQCLSA-N -1 3 327.388 3.571 20 0 EHADHM Fc1ccc2c(c1)[C@@H](Sc1ccc(-c3nn[n-]n3)cn1)CCC2 ZINC000826375790 607809024 /nfs/dbraw/zinc/80/90/24/607809024.db2.gz BSPBKAGCHNWNOA-AWEZNQCLSA-N -1 3 327.388 3.571 20 0 EHADHM CC(C)(CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000126810292 607813185 /nfs/dbraw/zinc/81/31/85/607813185.db2.gz KDXDHAHLCQVATA-UHFFFAOYSA-N -1 3 335.411 3.563 20 0 EHADHM CC(C)(CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000126810292 607813186 /nfs/dbraw/zinc/81/31/86/607813186.db2.gz KDXDHAHLCQVATA-UHFFFAOYSA-N -1 3 335.411 3.563 20 0 EHADHM CC[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1c(C)noc1C ZINC000825148319 607936588 /nfs/dbraw/zinc/93/65/88/607936588.db2.gz PKWBIOGUVWOVMY-CYBMUJFWSA-N -1 3 332.795 3.688 20 0 EHADHM CC[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1c(C)noc1C ZINC000825148319 607936589 /nfs/dbraw/zinc/93/65/89/607936589.db2.gz PKWBIOGUVWOVMY-CYBMUJFWSA-N -1 3 332.795 3.688 20 0 EHADHM CC[C@H](C)n1ncc(Nc2cccc(F)c2-c2nnn[n-]2)c1C1CC1 ZINC000825080549 608098418 /nfs/dbraw/zinc/09/84/18/608098418.db2.gz AHHYKDRZUPPJFH-JTQLQIEISA-N -1 3 341.394 3.794 20 0 EHADHM CC[C@H](C)n1ncc(Nc2cccc(F)c2-c2nn[n-]n2)c1C1CC1 ZINC000825080549 608098419 /nfs/dbraw/zinc/09/84/19/608098419.db2.gz AHHYKDRZUPPJFH-JTQLQIEISA-N -1 3 341.394 3.794 20 0 EHADHM CCSc1cccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000825674114 608114787 /nfs/dbraw/zinc/11/47/87/608114787.db2.gz IFFDXDADXLCXDA-UHFFFAOYSA-N -1 3 339.424 3.539 20 0 EHADHM CCSc1cccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000825674114 608114788 /nfs/dbraw/zinc/11/47/88/608114788.db2.gz IFFDXDADXLCXDA-UHFFFAOYSA-N -1 3 339.424 3.539 20 0 EHADHM Clc1cccc(CSc2cccc(Cl)c2-c2nnn[n-]2)n1 ZINC000826353403 608206428 /nfs/dbraw/zinc/20/64/28/608206428.db2.gz NPCYGUVAUVRBEA-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM Clc1cccc(CSc2cccc(Cl)c2-c2nn[n-]n2)n1 ZINC000826353403 608206429 /nfs/dbraw/zinc/20/64/29/608206429.db2.gz NPCYGUVAUVRBEA-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM CCc1ccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)s1 ZINC000825711390 608223206 /nfs/dbraw/zinc/22/32/06/608223206.db2.gz ANPSOSRPBBJIMR-UHFFFAOYSA-N -1 3 336.424 3.651 20 0 EHADHM CCc1ccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)s1 ZINC000825711390 608223208 /nfs/dbraw/zinc/22/32/08/608223208.db2.gz ANPSOSRPBBJIMR-UHFFFAOYSA-N -1 3 336.424 3.651 20 0 EHADHM c1cc2nc(N3CCC[C@@H]3C3CCCC3)ccc2cc1-c1nnn[n-]1 ZINC000826518406 608372485 /nfs/dbraw/zinc/37/24/85/608372485.db2.gz MNODZLBBFXTPKI-QGZVFWFLSA-N -1 3 334.427 3.574 20 0 EHADHM c1cc2nc(N3CCC[C@@H]3C3CCCC3)ccc2cc1-c1nn[n-]n1 ZINC000826518406 608372486 /nfs/dbraw/zinc/37/24/86/608372486.db2.gz MNODZLBBFXTPKI-QGZVFWFLSA-N -1 3 334.427 3.574 20 0 EHADHM CC(C)Cn1ncc(NCc2ccc(-c3nnn[n-]3)s2)c1C(C)C ZINC000824285102 608427482 /nfs/dbraw/zinc/42/74/82/608427482.db2.gz XIRCEOAKENISRC-UHFFFAOYSA-N -1 3 345.476 3.516 20 0 EHADHM CCc1ccc(NC(=S)Nc2ccccc2-c2nnn[n-]2)cc1C ZINC000825717837 608747750 /nfs/dbraw/zinc/74/77/50/608747750.db2.gz RECWIFCNFURJEN-UHFFFAOYSA-N -1 3 338.440 3.546 20 0 EHADHM CCc1ccc(NC(=S)Nc2ccccc2-c2nn[n-]n2)cc1C ZINC000825717837 608747752 /nfs/dbraw/zinc/74/77/52/608747752.db2.gz RECWIFCNFURJEN-UHFFFAOYSA-N -1 3 338.440 3.546 20 0 EHADHM C[C@H](NCc1ccc([C@@H]2C[C@H]2C)o1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824614193 609133717 /nfs/dbraw/zinc/13/37/17/609133717.db2.gz ZHQJBAFGATXRPQ-JRPNMDOOSA-N -1 3 341.390 3.573 20 0 EHADHM C[C@H](NCc1ccc([C@@H]2C[C@H]2C)o1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824614193 609133718 /nfs/dbraw/zinc/13/37/18/609133718.db2.gz ZHQJBAFGATXRPQ-JRPNMDOOSA-N -1 3 341.390 3.573 20 0 EHADHM C[C@@H](N[C@H]1CSc2ccccc21)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824553459 609144216 /nfs/dbraw/zinc/14/42/16/609144216.db2.gz BQWSVDFGBVHXPB-BMIGLBTASA-N -1 3 341.415 3.503 20 0 EHADHM C[C@@H](Nc1cccc(OC(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824663035 609164495 /nfs/dbraw/zinc/16/44/95/609164495.db2.gz UZEXIIHYWNEAKP-SNVBAGLBSA-N -1 3 349.316 3.938 20 0 EHADHM C[C@@H](Nc1cccc(OC(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824663035 609164496 /nfs/dbraw/zinc/16/44/96/609164496.db2.gz UZEXIIHYWNEAKP-SNVBAGLBSA-N -1 3 349.316 3.938 20 0 EHADHM CCOc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1F ZINC000825643525 609179884 /nfs/dbraw/zinc/17/98/84/609179884.db2.gz PMLKMDDRMHJAIE-JTQLQIEISA-N -1 3 345.353 3.717 20 0 EHADHM CCOc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1F ZINC000825643525 609179886 /nfs/dbraw/zinc/17/98/86/609179886.db2.gz PMLKMDDRMHJAIE-JTQLQIEISA-N -1 3 345.353 3.717 20 0 EHADHM Cc1ccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1OC(F)F ZINC000826291477 609237808 /nfs/dbraw/zinc/23/78/08/609237808.db2.gz IJLREWSPSJAAAF-NSHDSACASA-N -1 3 345.353 3.950 20 0 EHADHM Cc1ccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OC(F)F ZINC000826291477 609237810 /nfs/dbraw/zinc/23/78/10/609237810.db2.gz IJLREWSPSJAAAF-NSHDSACASA-N -1 3 345.353 3.950 20 0 EHADHM C[C@@H](N[C@@H](C)c1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824531043 609342015 /nfs/dbraw/zinc/34/20/15/609342015.db2.gz OEHNOHLSMZBEGS-ZJUUUORDSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@@H](N[C@@H](C)c1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000824531043 609342017 /nfs/dbraw/zinc/34/20/17/609342017.db2.gz OEHNOHLSMZBEGS-ZJUUUORDSA-N -1 3 347.344 3.696 20 0 EHADHM CCOc1cc(C)ccc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825616153 609349803 /nfs/dbraw/zinc/34/98/03/609349803.db2.gz YCVRAULWLOIYDH-LBPRGKRZSA-N -1 3 341.390 3.886 20 0 EHADHM CCOc1cc(C)ccc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825616153 609349805 /nfs/dbraw/zinc/34/98/05/609349805.db2.gz YCVRAULWLOIYDH-LBPRGKRZSA-N -1 3 341.390 3.886 20 0 EHADHM COc1ccc(-c2nnn[n-]2)cc1CNc1csc2ccccc12 ZINC000826184438 609440413 /nfs/dbraw/zinc/44/04/13/609440413.db2.gz WUTPMRRWEFSFSX-UHFFFAOYSA-N -1 3 337.408 3.702 20 0 EHADHM COc1ccc(-c2nn[n-]n2)cc1CNc1csc2ccccc12 ZINC000826184438 609440415 /nfs/dbraw/zinc/44/04/15/609440415.db2.gz WUTPMRRWEFSFSX-UHFFFAOYSA-N -1 3 337.408 3.702 20 0 EHADHM CC(C)Nc1cccc(F)c1NCc1cccc(-c2nnn[n-]2)c1F ZINC000824304621 609480070 /nfs/dbraw/zinc/48/00/70/609480070.db2.gz DCGAEHZDXWBNDX-UHFFFAOYSA-N -1 3 344.369 3.577 20 0 EHADHM CC(C)Nc1cccc(F)c1NCc1cccc(-c2nn[n-]n2)c1F ZINC000824304621 609480073 /nfs/dbraw/zinc/48/00/73/609480073.db2.gz DCGAEHZDXWBNDX-UHFFFAOYSA-N -1 3 344.369 3.577 20 0 EHADHM COc1cccc2cc(CNc3cccc(-c4nnn[n-]4)c3C)oc21 ZINC000826218006 609485875 /nfs/dbraw/zinc/48/58/75/609485875.db2.gz KYPWSXJCAKIJGB-UHFFFAOYSA-N -1 3 335.367 3.542 20 0 EHADHM COc1cccc2cc(CNc3cccc(-c4nn[n-]n4)c3C)oc21 ZINC000826218006 609485876 /nfs/dbraw/zinc/48/58/76/609485876.db2.gz KYPWSXJCAKIJGB-UHFFFAOYSA-N -1 3 335.367 3.542 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(-c2ccccc2)o1 ZINC000826278903 609500212 /nfs/dbraw/zinc/50/02/12/609500212.db2.gz XWKOZRNCUUFZGF-UHFFFAOYSA-N -1 3 345.362 3.687 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(-c2ccccc2)o1 ZINC000826278903 609500214 /nfs/dbraw/zinc/50/02/14/609500214.db2.gz XWKOZRNCUUFZGF-UHFFFAOYSA-N -1 3 345.362 3.687 20 0 EHADHM Cc1nc2c(s1)[C@@H](Nc1cc(Cl)ccc1-c1nnn[n-]1)CCC2 ZINC000826328138 609565566 /nfs/dbraw/zinc/56/55/66/609565566.db2.gz HDFJXBZTWGQNTD-LBPRGKRZSA-N -1 3 346.847 3.775 20 0 EHADHM Cc1nc2c(s1)[C@@H](Nc1cc(Cl)ccc1-c1nn[n-]n1)CCC2 ZINC000826328138 609565569 /nfs/dbraw/zinc/56/55/69/609565569.db2.gz HDFJXBZTWGQNTD-LBPRGKRZSA-N -1 3 346.847 3.775 20 0 EHADHM CS[C@H](CNc1nc2ccccc2cc1-c1nnn[n-]1)C(C)(C)C ZINC000826226246 609591334 /nfs/dbraw/zinc/59/13/34/609591334.db2.gz VPAFZDPMNLMHNN-CQSZACIVSA-N -1 3 342.472 3.605 20 0 EHADHM CS[C@H](CNc1nc2ccccc2cc1-c1nn[n-]n1)C(C)(C)C ZINC000826226246 609591337 /nfs/dbraw/zinc/59/13/37/609591337.db2.gz VPAFZDPMNLMHNN-CQSZACIVSA-N -1 3 342.472 3.605 20 0 EHADHM CC(C)CCCCCC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820073930 945346642 /nfs/dbraw/zinc/34/66/42/945346642.db2.gz XEDIJGGNAVCZAH-CQSZACIVSA-N -1 3 329.448 3.650 20 0 EHADHM CC(C)CCCCCC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820073930 945346654 /nfs/dbraw/zinc/34/66/54/945346654.db2.gz XEDIJGGNAVCZAH-CQSZACIVSA-N -1 3 329.448 3.650 20 0 EHADHM CC(C)Oc1cc(F)ccc1N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000824319338 946656945 /nfs/dbraw/zinc/65/69/45/946656945.db2.gz MPMNPFUPJQZWIK-GFCCVEGCSA-N -1 3 341.390 3.966 20 0 EHADHM CC(C)Oc1cc(F)ccc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000824319338 946656953 /nfs/dbraw/zinc/65/69/53/946656953.db2.gz MPMNPFUPJQZWIK-GFCCVEGCSA-N -1 3 341.390 3.966 20 0 EHADHM C[C@@H](N[C@@H](c1ccco1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824539853 946780220 /nfs/dbraw/zinc/78/02/20/946780220.db2.gz QDZJSCPLLZTYIW-AUUYWEPGSA-N -1 3 345.406 3.900 20 0 EHADHM C[C@@H]1CC[C@@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)C1 ZINC000824906916 946985276 /nfs/dbraw/zinc/98/52/76/946985276.db2.gz FFKGIPAGKMERFA-GHMZBOCLSA-N -1 3 345.472 3.572 20 0 EHADHM C[C@@H]1CC[C@@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)C1 ZINC000824906916 946985304 /nfs/dbraw/zinc/98/53/04/946985304.db2.gz FFKGIPAGKMERFA-GHMZBOCLSA-N -1 3 345.472 3.572 20 0 EHADHM CCCCC[C@@H](CC)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825266721 947136090 /nfs/dbraw/zinc/13/60/90/947136090.db2.gz GTXJUSACVOFZKY-CQSZACIVSA-N -1 3 341.459 3.579 20 0 EHADHM CCCCC[C@@H](CC)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825266721 947136096 /nfs/dbraw/zinc/13/60/96/947136096.db2.gz GTXJUSACVOFZKY-CQSZACIVSA-N -1 3 341.459 3.579 20 0 EHADHM CCc1cnccc1[C@H](C)[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000825736221 947307067 /nfs/dbraw/zinc/30/70/67/947307067.db2.gz XXRTWJRVWYRQEA-NWDGAFQWSA-N -1 3 325.391 3.870 20 0 EHADHM CCc1cnccc1[C@H](C)[C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000825736221 947307081 /nfs/dbraw/zinc/30/70/81/947307081.db2.gz XXRTWJRVWYRQEA-NWDGAFQWSA-N -1 3 325.391 3.870 20 0 EHADHM C[C@@H](C(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1)[C@H](C)C(C)(C)C ZINC001573654442 947966729 /nfs/dbraw/zinc/96/67/29/947966729.db2.gz QVPARPLTJKWXGE-OLZOCXBDSA-N -1 3 343.475 3.536 20 0 EHADHM C[C@@H](C(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1)[C@H](C)C(C)(C)C ZINC001573654442 947966731 /nfs/dbraw/zinc/96/67/31/947966731.db2.gz QVPARPLTJKWXGE-OLZOCXBDSA-N -1 3 343.475 3.536 20 0 EHADHM CC(C)c1ccccc1NC(=O)c1ccc2c(c1)[nH]cc2-c1nnn[n-]1 ZINC001574420837 948805212 /nfs/dbraw/zinc/80/52/12/948805212.db2.gz BJSWJJLMUVTILZ-UHFFFAOYSA-N -1 3 346.394 3.724 20 0 EHADHM CC(C)c1ccccc1NC(=O)c1ccc2c(c1)[nH]cc2-c1nn[n-]n1 ZINC001574420837 948805229 /nfs/dbraw/zinc/80/52/29/948805229.db2.gz BJSWJJLMUVTILZ-UHFFFAOYSA-N -1 3 346.394 3.724 20 0 EHADHM CC[C@]1(C(=O)[O-])CCCN(Cc2cccc(Br)c2)C1 ZINC000062877593 948963770 /nfs/dbraw/zinc/96/37/70/948963770.db2.gz IJVYOBLUICYWLI-HNNXBMFYSA-N -1 3 326.234 3.526 20 0 EHADHM C[C@H](c1cccc(Cl)c1)N(C)c1cc(F)ccc1-c1nnn[n-]1 ZINC001575513314 949146579 /nfs/dbraw/zinc/14/65/79/949146579.db2.gz RLBKQXLKDROXFV-SNVBAGLBSA-N -1 3 331.782 3.857 20 0 EHADHM C[C@H](c1cccc(Cl)c1)N(C)c1cc(F)ccc1-c1nn[n-]n1 ZINC001575513314 949146585 /nfs/dbraw/zinc/14/65/85/949146585.db2.gz RLBKQXLKDROXFV-SNVBAGLBSA-N -1 3 331.782 3.857 20 0 EHADHM C[C@@H]1CCC[C@@]1(C)C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001576155645 949415042 /nfs/dbraw/zinc/41/50/42/949415042.db2.gz VRUYANHHTXLSPN-ADLMAVQZSA-N -1 3 325.416 3.509 20 0 EHADHM C[C@@H]1CCC[C@@]1(C)C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001576155645 949415054 /nfs/dbraw/zinc/41/50/54/949415054.db2.gz VRUYANHHTXLSPN-ADLMAVQZSA-N -1 3 325.416 3.509 20 0 EHADHM C[C@@H]1CCC[C@@H](C(=O)Nc2scc(C(C)(C)C)c2-c2nnn[n-]2)C1 ZINC001576156563 949449968 /nfs/dbraw/zinc/44/99/68/949449968.db2.gz XGRDGOWGWBRZJZ-GHMZBOCLSA-N -1 3 347.488 3.991 20 0 EHADHM C[C@@H]1CCC[C@@H](C(=O)Nc2scc(C(C)(C)C)c2-c2nn[n-]n2)C1 ZINC001576156563 949449979 /nfs/dbraw/zinc/44/99/79/949449979.db2.gz XGRDGOWGWBRZJZ-GHMZBOCLSA-N -1 3 347.488 3.991 20 0 EHADHM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001576169838 949694744 /nfs/dbraw/zinc/69/47/44/949694744.db2.gz JWADLKRHKWTOPP-GHMZBOCLSA-N -1 3 333.823 3.675 20 0 EHADHM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001576169838 949694757 /nfs/dbraw/zinc/69/47/57/949694757.db2.gz JWADLKRHKWTOPP-GHMZBOCLSA-N -1 3 333.823 3.675 20 0 EHADHM C[C@@H](OC(=O)C[C@@H]1CCCC[C@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC001576171947 949782416 /nfs/dbraw/zinc/78/24/16/949782416.db2.gz RQZDBJUXSUSKST-MCIONIFRSA-N -1 3 328.416 3.687 20 0 EHADHM C[C@@H](OC(=O)C[C@@H]1CCCC[C@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC001576171947 949782437 /nfs/dbraw/zinc/78/24/37/949782437.db2.gz RQZDBJUXSUSKST-MCIONIFRSA-N -1 3 328.416 3.687 20 0 EHADHM O=C([O-])CCC1CCN(C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC001595023425 951324952 /nfs/dbraw/zinc/32/49/52/951324952.db2.gz OIJSBQCSNNYCGF-HNNXBMFYSA-N -1 3 346.254 3.604 20 0 EHADHM O=C([O-])c1ccccc1OCCN1CC[C@H](c2c(F)cccc2F)C1 ZINC000573330874 953673349 /nfs/dbraw/zinc/67/33/49/953673349.db2.gz CTXRKQFTSNTTRQ-ZDUSSCGKSA-N -1 3 347.361 3.531 20 0 EHADHM O=C([O-])[C@H]1CCN(Cc2cc(Br)c3ccccc3c2)C1 ZINC000903401453 956831172 /nfs/dbraw/zinc/83/11/72/956831172.db2.gz NXDONQQDQOHPGM-ZDUSSCGKSA-N -1 3 334.213 3.509 20 0 EHADHM CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1OCC ZINC000903709577 956906472 /nfs/dbraw/zinc/90/64/72/956906472.db2.gz HVMIDXRUURPHRO-GOSISDBHSA-N -1 3 347.386 3.539 20 0 EHADHM Cc1ccc(OC(F)F)c(CN[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC001594374500 958577416 /nfs/dbraw/zinc/57/74/16/958577416.db2.gz PDLOETIDTORKON-SFHVURJKSA-N -1 3 335.350 3.686 20 0 EHADHM CC[C@@H]1c2ccccc2CCN1Cc1ccccc1OCC(=O)[O-] ZINC001231796960 960629476 /nfs/dbraw/zinc/62/94/76/960629476.db2.gz OCIWHEYKSFRPSF-GOSISDBHSA-N -1 3 325.408 3.659 20 0 EHADHM CCc1oc(CNCCc2nc(C(C)(C)C)cs2)cc1C(=O)[O-] ZINC001332433127 961576765 /nfs/dbraw/zinc/57/67/65/961576765.db2.gz OHVBGWVOJPSMNG-UHFFFAOYSA-N -1 3 336.457 3.627 20 0 EHADHM C[C@H]1CCc2nc(CNCCCCC3(C(=O)[O-])CCC3)sc2C1 ZINC001335193215 961903958 /nfs/dbraw/zinc/90/39/58/961903958.db2.gz RVNXLIWXCKOJTG-ZDUSSCGKSA-N -1 3 336.501 3.783 20 0 EHADHM Cc1cc(Br)ccc1CN1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263348926 962501299 /nfs/dbraw/zinc/50/12/99/962501299.db2.gz OUIFTFIKTNTGRF-ZDUSSCGKSA-N -1 3 340.261 3.834 20 0 EHADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ncc(Cl)cc1Cl ZINC000263571598 962737274 /nfs/dbraw/zinc/73/72/74/962737274.db2.gz JPQDLQVTPALEIH-HERUPUMHSA-N -1 3 329.227 3.606 20 0 EHADHM CC(C)Oc1ccc(CN2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1Cl ZINC000263334555 967873842 /nfs/dbraw/zinc/87/38/42/967873842.db2.gz MEGJPIBDJKADRI-TZMCWYRMSA-N -1 3 325.836 3.670 20 0 EHADHM CCc1noc(C)c1CN1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000364046541 968055663 /nfs/dbraw/zinc/05/56/63/968055663.db2.gz XUXCTXGMNPGTJP-UHFFFAOYSA-N -1 3 328.412 3.623 20 0 EHADHM CC(C)c1nn(Cc2ccccc2)c(Cl)c1CNC[C@H](C)C(=O)[O-] ZINC000841803723 969225041 /nfs/dbraw/zinc/22/50/41/969225041.db2.gz XXXGHZITQOUAIM-ZDUSSCGKSA-N -1 3 349.862 3.519 20 0 EHADHM Cc1ccccc1-n1nccc1CN[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001605351503 973259571 /nfs/dbraw/zinc/25/95/71/973259571.db2.gz QLKMPAFHBAMILJ-MOPGFXCFSA-N -1 3 347.418 3.584 20 0 EHADHM O=C([O-])[C@@]1(c2ccccc2)CCN(Cc2ccc(Cl)cc2F)C1 ZINC000565109892 974572700 /nfs/dbraw/zinc/57/27/00/974572700.db2.gz KTTKFNIWJBQFKS-SFHVURJKSA-N -1 3 333.790 3.707 20 0 EHADHM COc1cccc(C2CCN(Cc3cc(C(=O)[O-])oc3C)CC2)c1 ZINC000567280149 974631686 /nfs/dbraw/zinc/63/16/86/974631686.db2.gz RMPGYJPCTSBTIW-UHFFFAOYSA-N -1 3 329.396 3.674 20 0 EHADHM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccccc1Cl ZINC000445725606 1029083176 /nfs/dbraw/zinc/08/31/76/1029083176.db2.gz POVKLLKUINAQDI-SNVBAGLBSA-N -1 3 329.771 3.595 20 0 EHADHM O=C([O-])[C@@]1(c2ccccc2)CCN(Cc2c(F)cccc2Cl)C1 ZINC000576881378 974824621 /nfs/dbraw/zinc/82/46/21/974824621.db2.gz MMDMIZUQAXPKRJ-SFHVURJKSA-N -1 3 333.790 3.707 20 0 EHADHM Cc1oc(CN2CCC[C@@H](c3ccc(F)c(F)c3)C2)cc1C(=O)[O-] ZINC000625970942 975066706 /nfs/dbraw/zinc/06/67/06/975066706.db2.gz FKYXACDYZBJCBW-CYBMUJFWSA-N -1 3 335.350 3.944 20 0 EHADHM O=C([O-])c1ccc(NC[C@H](c2cccc(Cl)c2)N2CCCC2)nc1 ZINC000647445713 975359869 /nfs/dbraw/zinc/35/98/69/975359869.db2.gz OGMPZORASCHCHY-MRXNPFEDSA-N -1 3 345.830 3.682 20 0 EHADHM Cc1oc(CN2CCC[C@H](c3nc4ccccc4o3)C2)cc1C(=O)[O-] ZINC000652386640 975518952 /nfs/dbraw/zinc/51/89/52/975518952.db2.gz AIEAARXXNIIVIN-ZDUSSCGKSA-N -1 3 340.379 3.807 20 0 EHADHM O=C([O-])[C@H]1CN(CCc2nsc3ccccc32)Cc2ccccc21 ZINC000662227519 975908847 /nfs/dbraw/zinc/90/88/47/975908847.db2.gz UFPIVUYCGPWOHR-INIZCTEOSA-N -1 3 338.432 3.523 20 0 EHADHM O=C([O-])[C@@H](NCc1cccc(F)c1)c1cccc(Br)c1 ZINC000683174514 976079488 /nfs/dbraw/zinc/07/94/88/976079488.db2.gz OWAWXEYNXFRKHU-AWEZNQCLSA-N -1 3 338.176 3.504 20 0 EHADHM Cc1ccc(CNCc2cccc(C(=O)[O-])c2)cc1Br ZINC000683176948 976081896 /nfs/dbraw/zinc/08/18/96/976081896.db2.gz YRWQITFUFFGSIU-UHFFFAOYSA-N -1 3 334.213 3.746 20 0 EHADHM C[C@@H](CNCc1ccc(C(=O)[O-])cc1F)Oc1ccccc1Cl ZINC001592710793 979198203 /nfs/dbraw/zinc/19/82/03/979198203.db2.gz VVZJVLBRYBCYJS-NSHDSACASA-N -1 3 337.778 3.734 20 0 EHADHM CCSc1cccc(F)c1[N-]C(=O)c1cc2c(cn1)OCCC2 ZINC000484929489 1032095164 /nfs/dbraw/zinc/09/51/64/1032095164.db2.gz YJDHOAVKRAWULH-UHFFFAOYSA-N -1 3 332.400 3.910 20 0 EHADHM O=C([O-])/C=C/c1ccc(CN2CCC(OCc3ccccc3)CC2)o1 ZINC000901422093 980268220 /nfs/dbraw/zinc/26/82/20/980268220.db2.gz MKRNLCBWENSCCN-CMDGGOBGSA-N -1 3 341.407 3.559 20 0 EHADHM C[C@@H](CC(C)(C)CC(=O)[O-])N[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000901457627 980296488 /nfs/dbraw/zinc/29/64/88/980296488.db2.gz NVLGUBKAYLVLIZ-RYUDHWBXSA-N -1 3 349.406 3.806 20 0 EHADHM O=C([O-])CCC1CCN(Cc2ccccc2CC(F)(F)F)CC1 ZINC000901496095 980316782 /nfs/dbraw/zinc/31/67/82/980316782.db2.gz REPIOORLLCJYGV-UHFFFAOYSA-N -1 3 329.362 3.868 20 0 EHADHM CC(C)O[C@@H](CN[C@H](C(=O)[O-])c1cc(F)ccc1F)c1ccccc1 ZINC000901639045 980420093 /nfs/dbraw/zinc/42/00/93/980420093.db2.gz YJUYDHSIXCFVAQ-ROUUACIJSA-N -1 3 349.377 3.846 20 0 EHADHM CC[C@H](NCc1ccccc1CC(=O)[O-])c1cccc(OC)c1OC ZINC001595305476 980447396 /nfs/dbraw/zinc/44/73/96/980447396.db2.gz PULDWXQREOZMCX-KRWDZBQOSA-N -1 3 343.423 3.572 20 0 EHADHM COC[C@@](C)(CC(=O)[O-])NCc1ccc(-c2ccccc2Cl)o1 ZINC000901794671 980524205 /nfs/dbraw/zinc/52/42/05/980524205.db2.gz ICJPNWGVQMQURH-QGZVFWFLSA-N -1 3 337.803 3.569 20 0 EHADHM CCOc1cc(CN2CCCCC[C@H]2C(=O)[O-])cc(Cl)c1OC ZINC000902039085 980709461 /nfs/dbraw/zinc/70/94/61/980709461.db2.gz LJIVXPRILKEUIB-AWEZNQCLSA-N -1 3 341.835 3.577 20 0 EHADHM Cc1cccc(C)c1OCCCN1CCc2cc(C(=O)[O-])ccc2C1 ZINC000903619337 980996831 /nfs/dbraw/zinc/99/68/31/980996831.db2.gz XHRJLYJCGNRWNR-UHFFFAOYSA-N -1 3 339.435 3.829 20 0 EHADHM Cc1sc(C(=O)[O-])cc1CN1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000903626516 981001871 /nfs/dbraw/zinc/00/18/71/981001871.db2.gz DPWVZAYKSWBFPI-GFCCVEGCSA-N -1 3 337.338 3.621 20 0 EHADHM O=C([O-])c1ccc(CN[C@H](c2ccc(F)cc2)C2CCCC2)nc1 ZINC000905724903 981123783 /nfs/dbraw/zinc/12/37/83/981123783.db2.gz PBHGUKQIGMPHKT-SFHVURJKSA-N -1 3 328.387 3.940 20 0 EHADHM CC[C@@H]1Cc2ccccc2CN1Cc1cc(C(=O)[O-])ccc1OC ZINC001595500358 981272020 /nfs/dbraw/zinc/27/20/20/981272020.db2.gz YGSLNXRLHBVLCA-GOSISDBHSA-N -1 3 325.408 3.730 20 0 EHADHM CC[C@@H](C)Oc1cc(CN[C@@H](C(=O)[O-])c2ccsc2)ccc1OC ZINC000683173658 1014747256 /nfs/dbraw/zinc/74/72/56/1014747256.db2.gz NNYQEPIKLUOSRE-SJKOYZFVSA-N -1 3 349.452 3.850 20 0 EHADHM CC[C@](C)(CC(=O)[O-])NCc1oc2ccccc2c1Br ZINC001594828758 981999159 /nfs/dbraw/zinc/99/91/59/981999159.db2.gz NODLIJQZJDQBRV-OAHLLOKOSA-N -1 3 340.217 3.928 20 0 EHADHM CC[C@](C)(NCC(=O)Nc1cc(C(=O)[O-])ccc1C)c1ccccc1 ZINC001594849099 982084665 /nfs/dbraw/zinc/08/46/65/982084665.db2.gz RTSQRFYRACOALQ-FQEVSTJZSA-N -1 3 340.423 3.547 20 0 EHADHM CCCCCN(C)[C@@H](C(=O)[O-])c1cc(OC)ccc1Br ZINC001595716221 982319683 /nfs/dbraw/zinc/31/96/83/982319683.db2.gz SGOKYAAVFULSJX-CQSZACIVSA-N -1 3 344.249 3.705 20 0 EHADHM CCCCO[C@@H]1C[C@H](NCc2ccc(Cl)c(C(=O)[O-])n2)C1(C)C ZINC001595770468 982508536 /nfs/dbraw/zinc/50/85/36/982508536.db2.gz INPLAPLKJNDGJH-UONOGXRCSA-N -1 3 340.851 3.507 20 0 EHADHM CCCCOc1cccc(CNCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001595781125 982558926 /nfs/dbraw/zinc/55/89/26/982558926.db2.gz XWGPECVMDFGBCV-UHFFFAOYSA-N -1 3 331.387 3.993 20 0 EHADHM CCOc1ccccc1C[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC001125289926 1014870942 /nfs/dbraw/zinc/87/09/42/1014870942.db2.gz ORSODPQATHYVPR-UHFFFAOYSA-N -1 3 341.304 3.772 20 0 EHADHM CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H]2CCC[C@H](CCCC(=O)[O-])C2)[n-]1 ZINC001595014785 982956107 /nfs/dbraw/zinc/95/61/07/982956107.db2.gz CKCFCAAYPLMDEF-BYNSBNAKSA-N -1 3 336.480 3.783 20 0 EHADHM CC(C)c1ccc(CN(C)C(=O)c2cc3c(cc2[O-])OCO3)cc1 ZINC000048207046 1014954865 /nfs/dbraw/zinc/95/48/65/1014954865.db2.gz VZLCHCUHGCQPFX-UHFFFAOYSA-N -1 3 327.380 3.517 20 0 EHADHM C[C@H]1CCC[C@H]1CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000187700380 1014971218 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CC(=O)c1cccc(NC(=O)c2cccc(C)c2Br)c1[O-] ZINC000581451093 1020933316 /nfs/dbraw/zinc/93/33/16/1020933316.db2.gz LUKDBXVQICTWKQ-UHFFFAOYSA-N -1 3 348.196 3.918 20 0 EHADHM Cc1c(C(=O)Nc2cccc([O-])c2F)cnn1-c1ccccc1Cl ZINC000129145687 1021006413 /nfs/dbraw/zinc/00/64/13/1021006413.db2.gz IKYLUBQAUGSBTO-UHFFFAOYSA-N -1 3 345.761 3.931 20 0 EHADHM COc1cc(Cl)c([N-]S(=O)(=O)c2cc(C)oc2C)cc1C ZINC000341167835 1021038385 /nfs/dbraw/zinc/03/83/85/1021038385.db2.gz HXQHOPXECSUHMG-UHFFFAOYSA-N -1 3 329.805 3.668 20 0 EHADHM COc1cccc([C@@H](C)NCc2nc3c4ccccc4oc3c(=O)[n-]2)c1 ZINC000341204899 1021093698 /nfs/dbraw/zinc/09/36/98/1021093698.db2.gz GBTUKFNIDDBKKP-GFCCVEGCSA-N -1 3 349.390 3.941 20 0 EHADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@@H](c3ccc(F)c(F)c3)C2)n1 ZINC000625656080 1021233435 /nfs/dbraw/zinc/23/34/35/1021233435.db2.gz SJSFRLFPEOJYEH-GXTWGEPZSA-N -1 3 333.382 3.709 20 0 EHADHM CCc1ccc(C(=O)Nc2ccc(NC(C)=O)c(Cl)c2)c([O-])c1 ZINC000436802474 1021249586 /nfs/dbraw/zinc/24/95/86/1021249586.db2.gz 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346.770 3.840 20 0 EHADHM COc1ccc([O-])c(-c2nc([C@@H](OC)c3ccccc3Cl)no2)c1 ZINC000436953731 1021419745 /nfs/dbraw/zinc/41/97/45/1021419745.db2.gz RSHPDXGNZBSRIN-HNNXBMFYSA-N -1 3 346.770 3.840 20 0 EHADHM CCCCOc1ccc(C(=O)N(C)Cc2cccc(OC)c2)c([O-])c1 ZINC000436970237 1021441739 /nfs/dbraw/zinc/44/17/39/1021441739.db2.gz CZHMQNOEVAYAGK-UHFFFAOYSA-N -1 3 343.423 3.852 20 0 EHADHM CCCCOc1ccc(C(=O)NCc2sc(C)nc2C)c([O-])c1 ZINC000436991092 1021445492 /nfs/dbraw/zinc/44/54/92/1021445492.db2.gz XHYJUPLZBJTUAF-UHFFFAOYSA-N -1 3 334.441 3.574 20 0 EHADHM CCN(Cc1coc(-c2cccc(F)c2)n1)C1CCC(C(=O)[O-])CC1 ZINC000519835866 1021711805 /nfs/dbraw/zinc/71/18/05/1021711805.db2.gz YQLGVKSJFLLXLA-UHFFFAOYSA-N -1 3 346.402 3.946 20 0 EHADHM CCc1ccc(-c2nc(-c3ccc(N4CCCC4=O)cc3)no2)c([O-])c1 ZINC000516811287 1021747242 /nfs/dbraw/zinc/74/72/42/1021747242.db2.gz MDMLKEQMXKTCAW-UHFFFAOYSA-N -1 3 349.390 3.798 20 0 EHADHM Cc1ccccc1NC(=O)[C@H](C)SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000519122066 1021873913 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CCOC([O-])=NC(=S)Nc1cc(-c2ccccc2)nn1C(C)(C)C ZINC001195458698 1135426658 /nfs/dbraw/zinc/42/66/58/1135426658.db2.gz ZUHNWJBIDVIJGV-UHFFFAOYSA-N -1 3 346.456 3.748 20 0 EHADHM CCOC(=O)[N-]C(=S)Nc1cc(-c2ccccc2)nn1C(C)(C)C ZINC001195458698 1135426666 /nfs/dbraw/zinc/42/66/66/1135426666.db2.gz ZUHNWJBIDVIJGV-UHFFFAOYSA-N -1 3 346.456 3.748 20 0 EHADHM O=C(Nc1ncccc1[O-])c1ccc(-c2ccccn2)cc1Cl ZINC001195642825 1135446472 /nfs/dbraw/zinc/44/64/72/1135446472.db2.gz UISRSUXRMVKHQZ-UHFFFAOYSA-N -1 3 325.755 3.755 20 0 EHADHM Cn1nc(C(F)(F)F)c(C=Cc2cc(=O)[n-]c(C3CC3)n2)c1Cl ZINC000806565082 1135461806 /nfs/dbraw/zinc/46/18/06/1135461806.db2.gz ZIKQNZURPSMMLT-SNAWJCMRSA-N -1 3 344.724 3.636 20 0 EHADHM O=S(=O)(Nc1ccc(Cl)c(F)c1Cl)c1ccc([O-])cc1 ZINC001195802522 1135472294 /nfs/dbraw/zinc/47/22/94/1135472294.db2.gz FVUPVRFFGKHJTD-UHFFFAOYSA-N -1 3 336.171 3.639 20 0 EHADHM Cc1cc([N-]S(=O)(=O)c2ccc(O)cc2)ccc1C(F)(F)F ZINC001195810729 1135474144 /nfs/dbraw/zinc/47/41/44/1135474144.db2.gz KZAVTGRPORDWTL-UHFFFAOYSA-N -1 3 331.315 3.520 20 0 EHADHM Cc1cc(NS(=O)(=O)c2ccc([O-])cc2)ccc1C(F)(F)F ZINC001195810729 1135474145 /nfs/dbraw/zinc/47/41/45/1135474145.db2.gz KZAVTGRPORDWTL-UHFFFAOYSA-N -1 3 331.315 3.520 20 0 EHADHM Cc1[nH]c2ccc(F)cc2c1CCNC(=O)c1ccc(C)cc1[O-] ZINC001170527343 1135552050 /nfs/dbraw/zinc/55/20/50/1135552050.db2.gz YSVPNSLCPDBJDZ-UHFFFAOYSA-N -1 3 326.371 3.602 20 0 EHADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2F)c(Cl)c1 ZINC001196383458 1135553157 /nfs/dbraw/zinc/55/31/57/1135553157.db2.gz SGAWQCHHGSYZIA-UHFFFAOYSA-N -1 3 329.780 3.597 20 0 EHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(C)=O)c2C)c(C)c1 ZINC001196884896 1135621391 /nfs/dbraw/zinc/62/13/91/1135621391.db2.gz AOHVEBZPDWAWHV-UHFFFAOYSA-N -1 3 347.436 3.624 20 0 EHADHM CCC(=O)c1ccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)cc1 ZINC001196888668 1135622418 /nfs/dbraw/zinc/62/24/18/1135622418.db2.gz STVBNIOXPGDJMV-UHFFFAOYSA-N -1 3 347.436 3.706 20 0 EHADHM COc1cccc(C)c1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC001197672957 1135720602 /nfs/dbraw/zinc/72/06/02/1135720602.db2.gz RGSWTTWFASECLH-UHFFFAOYSA-N -1 3 343.807 3.738 20 0 EHADHM O=S(=O)(Cc1ccccn1)[N-]c1ccc(-c2ccccc2)cc1F ZINC001197829847 1135745041 /nfs/dbraw/zinc/74/50/41/1135745041.db2.gz PAEHDKCLFISAAE-UHFFFAOYSA-N -1 3 342.395 3.830 20 0 EHADHM O=C(NC[C@H](O)c1cc2ccccc2s1)c1cc([O-])ccc1Cl ZINC000810522350 1135969239 /nfs/dbraw/zinc/96/92/39/1135969239.db2.gz VRGULDDNFOIOOA-AWEZNQCLSA-N -1 3 347.823 3.724 20 0 EHADHM Cc1ncc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c(=O)[n-]1 ZINC001201158543 1135990300 /nfs/dbraw/zinc/99/03/00/1135990300.db2.gz OCSRRINFEAPZJP-UHFFFAOYSA-N -1 3 329.212 3.606 20 0 EHADHM CC(C)(C)N1CC[C@@](F)(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC000810822561 1136008642 /nfs/dbraw/zinc/00/86/42/1136008642.db2.gz VKCACGJKQCBSJJ-HNNXBMFYSA-N -1 3 349.233 3.850 20 0 EHADHM CCc1noc([C@H](C)OC(=O)c2cc3cc(Cl)sc3[n-]2)n1 ZINC000811394612 1136082047 /nfs/dbraw/zinc/08/20/47/1136082047.db2.gz GVTWYZUVLHWSAY-LURJTMIESA-N -1 3 325.777 3.746 20 0 EHADHM CCOC(=O)c1nc(C2CC2)oc1[N-]C(=O)Nc1ccccc1F ZINC001201987637 1136083254 /nfs/dbraw/zinc/08/32/54/1136083254.db2.gz KMANPYAJQLUTMW-UHFFFAOYSA-N -1 3 333.319 3.512 20 0 EHADHM COc1ccccc1CN(OC)C(=O)c1cc([O-])c2ccccc2c1 ZINC000812366779 1136199663 /nfs/dbraw/zinc/19/96/63/1136199663.db2.gz NJCRIYUGJNTZGC-UHFFFAOYSA-N -1 3 337.375 3.758 20 0 EHADHM CCCCCC[C@@H](C)CC(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000812385656 1136203343 /nfs/dbraw/zinc/20/33/43/1136203343.db2.gz ZHLVQCWPGOMUTL-CYBMUJFWSA-N -1 3 347.459 3.518 20 0 EHADHM CC(C)OCCO[N-]C(=O)Cc1coc2ccc3ccccc3c12 ZINC000812806035 1136254329 /nfs/dbraw/zinc/25/43/29/1136254329.db2.gz LJKRGCYTEINOLI-UHFFFAOYSA-N -1 3 327.380 3.601 20 0 EHADHM Cc1ccc(N2CCC[C@H](NCc3cccc([O-])c3Cl)C2=O)cc1 ZINC000815126848 1136553924 /nfs/dbraw/zinc/55/39/24/1136553924.db2.gz GVEFPUUSQTVXPQ-INIZCTEOSA-N -1 3 344.842 3.639 20 0 EHADHM [O-]c1cccc(CNC[C@@H](O)c2c(F)cccc2Cl)c1Cl ZINC000815125461 1136554168 /nfs/dbraw/zinc/55/41/68/1136554168.db2.gz 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Cc1cnccc1/C=C/C(=O)Nc1ccc(Br)cc1[O-] ZINC001136219599 1136941896 /nfs/dbraw/zinc/94/18/96/1136941896.db2.gz XAZSKXHCZGTYHH-GORDUTHDSA-N -1 3 333.185 3.510 20 0 EHADHM Cc1cc(Cl)nc(C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC001136220413 1136942700 /nfs/dbraw/zinc/94/27/00/1136942700.db2.gz ZWUUSPWTYDSHFH-UHFFFAOYSA-N -1 3 341.592 3.764 20 0 EHADHM CSc1ccc(C=CC(=O)OCc2cc(=O)[n-]c(C3CC3)n2)s1 ZINC000860289343 1137054104 /nfs/dbraw/zinc/05/41/04/1137054104.db2.gz HKOQGJDEPGZRCX-XQRVVYSFSA-N -1 3 348.449 3.600 20 0 EHADHM Cc1ccc2c(ccc(C)c2C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c1 ZINC000823806522 1137115386 /nfs/dbraw/zinc/11/53/86/1137115386.db2.gz ZPRVXXLXSGFUSM-OAHLLOKOSA-N -1 3 335.407 3.515 20 0 EHADHM C[C@@H]1CC(=O)N(C)c2ccc(NCc3c(F)ccc([O-])c3F)cc21 ZINC000862535930 1137148431 /nfs/dbraw/zinc/14/84/31/1137148431.db2.gz BYFHYMLVFSULFX-SNVBAGLBSA-N -1 3 332.350 3.753 20 0 EHADHM C[C@@H]1CN(C(=O)c2cc([O-])cc(Br)c2)[C@H]1c1ccccc1 ZINC001137029541 1137175940 /nfs/dbraw/zinc/17/59/40/1137175940.db2.gz HUYONVJWMNTNJF-BDJLRTHQSA-N -1 3 346.224 3.988 20 0 EHADHM CC(C)N(C)S(=O)(=O)[N-]c1cc(C(C)(C)C)cc2cccnc21 ZINC000863427464 1137185892 /nfs/dbraw/zinc/18/58/92/1137185892.db2.gz YPBJRIDJJFTNSH-UHFFFAOYSA-N -1 3 335.473 3.529 20 0 EHADHM CC(C)c1ncc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)cn1 ZINC000794616518 1137221089 /nfs/dbraw/zinc/22/10/89/1137221089.db2.gz MAINBBITNDPAPG-BQYQJAHWSA-N -1 3 337.832 3.666 20 0 EHADHM CC(C)=CC[C@H](NCc1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC000864527216 1137232638 /nfs/dbraw/zinc/23/26/38/1137232638.db2.gz BJKIMLRXHPGWOU-LBPRGKRZSA-N -1 3 335.297 3.623 20 0 EHADHM CC(C)=CC[C@@H](NCc1c(Cl)cccc1OC(F)F)C(=O)[O-] ZINC000864528303 1137232694 /nfs/dbraw/zinc/23/26/94/1137232694.db2.gz NMCOTHFUJDZESS-GFCCVEGCSA-N -1 3 333.762 3.841 20 0 EHADHM CC(C)(C)[C@@H]1CCCN(Cn2[n-]c(-c3ccccn3)nc2=S)C1 ZINC000794708165 1137239915 /nfs/dbraw/zinc/23/99/15/1137239915.db2.gz XAISCDAQJZZOMO-CYBMUJFWSA-N -1 3 331.489 3.718 20 0 EHADHM Cc1cc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)cc(C)c1OC(F)F 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EHADHM O=C([O-])[C@]12CCC[C@@H]1CN(Cc1csc(-c3ccsc3)n1)C2 ZINC000846285436 1137345091 /nfs/dbraw/zinc/34/50/91/1137345091.db2.gz SYDXHGNJZNHVLT-WBMJQRKESA-N -1 3 334.466 3.558 20 0 EHADHM Cc1ccc(N(CC(C)C)C(=O)Cc2c(C)nc(C)[n-]c2=O)c(C)c1 ZINC000846299807 1137345965 /nfs/dbraw/zinc/34/59/65/1137345965.db2.gz VOITWYCHVKCFDS-UHFFFAOYSA-N -1 3 341.455 3.648 20 0 EHADHM CCC[C@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc(Cl)cc1 ZINC000866628926 1137370986 /nfs/dbraw/zinc/37/09/86/1137370986.db2.gz UOQJFLRHIJNMRR-HNNXBMFYSA-N -1 3 347.846 3.539 20 0 EHADHM CC[C@@H](C)[C@@](C)(O)CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001146507168 1137390966 /nfs/dbraw/zinc/39/09/66/1137390966.db2.gz COAILZWZWKZNTH-VFNWGFHPSA-N -1 3 341.451 3.510 20 0 EHADHM CCc1ccc([O-])c(C(=O)Nc2nc3cc(F)c(Cl)cc3[nH]2)c1 ZINC001148517250 1137426400 /nfs/dbraw/zinc/42/64/00/1137426400.db2.gz QYHZWBOSLPJLDD-UHFFFAOYSA-N -1 3 333.750 3.876 20 0 EHADHM COc1ccc(OC(F)(F)F)cc1NC(=O)c1ccc(C)cc1[O-] ZINC001148500154 1137427029 /nfs/dbraw/zinc/42/70/29/1137427029.db2.gz KNRWSMKIDRUTFX-UHFFFAOYSA-N -1 3 341.285 3.860 20 0 EHADHM Cc1ccc(C(=O)N2CCC[C@@]3(CCc4c3cccc4F)C2)c([O-])c1 ZINC001148500864 1137427164 /nfs/dbraw/zinc/42/71/64/1137427164.db2.gz XQKLIVSKOFNZSH-OAQYLSRUSA-N -1 3 339.410 3.960 20 0 EHADHM CC(=O)c1cc(C(=O)Nc2cc(-c3ccc(F)cc3)no2)ccc1[O-] ZINC001148656563 1137429273 /nfs/dbraw/zinc/42/92/73/1137429273.db2.gz YMCUWBPQNYKDPA-UHFFFAOYSA-N -1 3 340.310 3.641 20 0 EHADHM CCc1cccc(C(=O)N2CCCC[C@H]2c2noc(C(C)C)n2)c1[O-] ZINC001148819538 1137435760 /nfs/dbraw/zinc/43/57/60/1137435760.db2.gz SXLCVASYORDKJW-HNNXBMFYSA-N -1 3 343.427 3.828 20 0 EHADHM CCOCCN(C(=O)c1ccc(C)cc1[O-])[C@@H]1CCc2ccccc21 ZINC001171415432 1137475978 /nfs/dbraw/zinc/47/59/78/1137475978.db2.gz WJVQPGDHTRDJPM-LJQANCHMSA-N -1 3 339.435 3.867 20 0 EHADHM C[C@@H](NCc1cc(Cl)c2c(c1)OCCO2)c1cccc([O-])c1F ZINC000872027518 1137566025 /nfs/dbraw/zinc/56/60/25/1137566025.db2.gz KIYLOWYKXQEHQT-SNVBAGLBSA-N -1 3 337.778 3.807 20 0 EHADHM C[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1cccc([O-])c1F ZINC000872059825 1137568708 /nfs/dbraw/zinc/56/87/08/1137568708.db2.gz LGOTXPIXBOBNRG-MJBXVCDLSA-N -1 3 345.418 3.713 20 0 EHADHM Cc1nc(C2CCN(Cc3cc(F)ccc3C)CC2)sc1C(=O)[O-] ZINC000872165661 1137574743 /nfs/dbraw/zinc/57/47/43/1137574743.db2.gz ZAZAWSFVNVNLTH-UHFFFAOYSA-N -1 3 348.443 3.977 20 0 EHADHM COc1ccc(C(=O)[O-])c2c1CN(CC/C=C\c1ccccc1)CC2 ZINC000872168796 1137574949 /nfs/dbraw/zinc/57/49/49/1137574949.db2.gz ZAZGFYZVRNNHLO-UITAMQMPSA-N -1 3 337.419 3.855 20 0 EHADHM CCC(F)(F)c1ccccc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000876428414 1137651602 /nfs/dbraw/zinc/65/16/02/1137651602.db2.gz MITBOSFATGNNFS-UHFFFAOYSA-N -1 3 349.381 3.872 20 0 EHADHM O=C(OCc1nc(-c2ccsc2)no1)c1cc(Cl)c(Cl)[n-]1 ZINC000021730852 1137656520 /nfs/dbraw/zinc/65/65/20/1137656520.db2.gz VWRLAKCLUSXJBF-UHFFFAOYSA-N -1 3 344.179 3.790 20 0 EHADHM COc1ccc(C)cc1[C@H](C)NCc1nnc(-c2ccccc2[O-])o1 ZINC000878347118 1137711765 /nfs/dbraw/zinc/71/17/65/1137711765.db2.gz ZXRCRKZXJHMLPR-ZDUSSCGKSA-N -1 3 339.395 3.610 20 0 EHADHM COc1ccc(C)cc1[C@@H](C)NCc1nnc(-c2ccccc2[O-])o1 ZINC000878347117 1137711776 /nfs/dbraw/zinc/71/17/76/1137711776.db2.gz ZXRCRKZXJHMLPR-CYBMUJFWSA-N -1 3 339.395 3.610 20 0 EHADHM CCCCO[C@H]1C[C@H](NCc2nnc(-c3ccccc3[O-])o2)C1(C)C ZINC000878600070 1137721691 /nfs/dbraw/zinc/72/16/91/1137721691.db2.gz ZWICKRPVWOMLCV-HOTGVXAUSA-N -1 3 345.443 3.516 20 0 EHADHM C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000879348203 1137745082 /nfs/dbraw/zinc/74/50/82/1137745082.db2.gz GPAINKASHZOTII-WPPNPWJKSA-N -1 3 340.210 3.727 20 0 EHADHM CCc1c[nH]c(SCc2cc(=O)oc3cc([O-])c(CC)cc23)n1 ZINC000129115655 1137811145 /nfs/dbraw/zinc/81/11/45/1137811145.db2.gz ACPOLSWCFBHDOL-UHFFFAOYSA-N -1 3 330.409 3.639 20 0 EHADHM Cc1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)c(Cl)n1 ZINC000881882316 1137816933 /nfs/dbraw/zinc/81/69/33/1137816933.db2.gz FPKDRGVJXZXGOH-UHFFFAOYSA-N -1 3 336.794 3.527 20 0 EHADHM COc1cc(C(=O)N2CCC[C@@]2(C)c2ccccc2)cc(OC)c1[O-] ZINC000882023194 1137819157 /nfs/dbraw/zinc/81/91/57/1137819157.db2.gz KXHSABNFTYCCMM-FQEVSTJZSA-N -1 3 341.407 3.561 20 0 EHADHM CC1(C)CCC[C@@H](CSc2nc(=O)cc([O-])n2C2CCCC2)O1 ZINC000882096425 1137821141 /nfs/dbraw/zinc/82/11/41/1137821141.db2.gz RZCHEVMCRSGDCT-ZDUSSCGKSA-N -1 3 338.473 3.504 20 0 EHADHM COc1cc2c(cc1OC)[C@@H]([N-]c1nnc(C(F)F)o1)CCCC2 ZINC000882946615 1137839355 /nfs/dbraw/zinc/83/93/55/1137839355.db2.gz PTAZKMQOBZRCNX-NSHDSACASA-N -1 3 339.342 3.904 20 0 EHADHM CC(C)(C)OC(=O)N1CCC(COC(=O)c2cc3occc3[n-]2)CC1 ZINC000800220867 1137903036 /nfs/dbraw/zinc/90/30/36/1137903036.db2.gz YKOAZQSKOAERSA-UHFFFAOYSA-N -1 3 348.399 3.565 20 0 EHADHM Cc1ccc([C@@H]2COCCN2C(=O)c2ccc(C(C)C)cc2[O-])o1 ZINC000331905930 1137925243 /nfs/dbraw/zinc/92/52/43/1137925243.db2.gz IHFVXKIEKSBGMW-INIZCTEOSA-N -1 3 329.396 3.631 20 0 EHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(Br)c(Cl)c1 ZINC000119729715 1137944051 /nfs/dbraw/zinc/94/40/51/1137944051.db2.gz AFRGAHFRHFYZPI-LLVKDONJSA-N -1 3 349.612 3.682 20 0 EHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(Br)c(Cl)c1 ZINC000119729715 1137944052 /nfs/dbraw/zinc/94/40/52/1137944052.db2.gz AFRGAHFRHFYZPI-LLVKDONJSA-N -1 3 349.612 3.682 20 0 EHADHM C[C@H]1CCC[C@@H](OCCCCCC(=O)[N-]OCc2cccnc2)C1 ZINC000120798779 1137952397 /nfs/dbraw/zinc/95/23/97/1137952397.db2.gz FTSICVSWUVCPBQ-FUHWJXTLSA-N -1 3 334.460 3.785 20 0 EHADHM O=C(NCC[C@@H]1CCC2(CCC2)O1)c1cc([O-])c2ccccc2c1 ZINC000886053786 1138035909 /nfs/dbraw/zinc/03/59/09/1138035909.db2.gz PMZAYXCOMGCHJN-INIZCTEOSA-N -1 3 325.408 3.767 20 0 EHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCCC[C@@H]2c2ccco2)c1 ZINC000122668321 1138260648 /nfs/dbraw/zinc/26/06/48/1138260648.db2.gz SCXYSFOGZWYOGB-MRXNPFEDSA-N -1 3 342.395 3.701 20 0 EHADHM O=C(Cc1csc([N-]c2ncnc3ccncc32)n1)c1ccccc1 ZINC000337536719 1138598367 /nfs/dbraw/zinc/59/83/67/1138598367.db2.gz YJAMEYFEUAMFLZ-UHFFFAOYSA-N -1 3 347.403 3.650 20 0 EHADHM Cc1cccc(OCCCCC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000132752654 1138600468 /nfs/dbraw/zinc/60/04/68/1138600468.db2.gz HACPIUBQJRXSTO-UHFFFAOYSA-N -1 3 331.387 3.705 20 0 EHADHM C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ncccc1[O-] ZINC000338083406 1138744822 /nfs/dbraw/zinc/74/48/22/1138744822.db2.gz KEHQCBJHRRXXPX-MRVPVSSYSA-N -1 3 327.167 3.500 20 0 EHADHM O=C(NCC1(Cc2ccccc2)CCC1)c1c[n-]c2ccccc2c1=O ZINC000136939452 1138823320 /nfs/dbraw/zinc/82/33/20/1138823320.db2.gz CMRZJRCMXYXUBL-UHFFFAOYSA-N -1 3 346.430 3.671 20 0 EHADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(OC2CCOCC2)cc1 ZINC000153711241 1139148432 /nfs/dbraw/zinc/14/84/32/1139148432.db2.gz HHEPGUOCEDQDRL-UHFFFAOYSA-N -1 3 347.798 3.856 20 0 EHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCC3CCC3)c2)n1 ZINC000175608642 1139503968 /nfs/dbraw/zinc/50/39/68/1139503968.db2.gz UTKWKJKVTZFQIJ-UHFFFAOYSA-N -1 3 325.412 3.518 20 0 EHADHM CCc1ccc([C@@H](C)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000182733455 1139988902 /nfs/dbraw/zinc/98/89/02/1139988902.db2.gz GAVWIYLVSQSNIC-CYBMUJFWSA-N -1 3 348.468 3.802 20 0 EHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)[C@@H](C)CC)c2)n1 ZINC000183177062 1140018152 /nfs/dbraw/zinc/01/81/52/1140018152.db2.gz MLRPHPQTJFHNII-QWHCGFSZSA-N -1 3 327.428 3.620 20 0 EHADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](C)c2ccc(-c3cccnc3)cc2)n1 ZINC000192762058 1140549310 /nfs/dbraw/zinc/54/93/10/1140549310.db2.gz DLNPJBHBNBXEJF-LSDHHAIUSA-N -1 3 334.423 3.964 20 0 EHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2ccc(C)cc2C)c1 ZINC000270041623 1141172261 /nfs/dbraw/zinc/17/22/61/1141172261.db2.gz KLBPIDSLJGSYAD-AWEZNQCLSA-N -1 3 340.423 3.801 20 0 EHADHM CCCc1cc(=O)[n-]c(C(=Cc2ncc(CN(C)C)s2)CC)n1 ZINC000349113083 1141641326 /nfs/dbraw/zinc/64/13/26/1141641326.db2.gz PTDXCPVTOKNINR-WQLSENKSSA-N -1 3 332.473 3.603 20 0 EHADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1Br ZINC000037377136 213142952 /nfs/dbraw/zinc/14/29/52/213142952.db2.gz BWHXSEVUZXRRPI-UHFFFAOYSA-N -1 3 344.205 3.697 20 0 EHADHM CSc1cccc(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000737191607 598851215 /nfs/dbraw/zinc/85/12/15/598851215.db2.gz PMLRXELLZQXIKS-UHFFFAOYSA-N -1 3 340.412 3.541 20 0 EHADHM CSc1cccc(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000737191607 598851216 /nfs/dbraw/zinc/85/12/16/598851216.db2.gz PMLRXELLZQXIKS-UHFFFAOYSA-N -1 3 340.412 3.541 20 0 EHADHM CSCc1ccc(Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737182756 598941412 /nfs/dbraw/zinc/94/14/12/598941412.db2.gz STCHITLCOXKUSG-UHFFFAOYSA-N -1 3 332.820 3.522 20 0 EHADHM CSCc1ccc(Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737182756 598941414 /nfs/dbraw/zinc/94/14/14/598941414.db2.gz STCHITLCOXKUSG-UHFFFAOYSA-N -1 3 332.820 3.522 20 0 EHADHM Cc1ccccc1[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC000737421932 598942838 /nfs/dbraw/zinc/94/28/38/598942838.db2.gz NSZQEMHLFLFNKW-HNNXBMFYSA-N -1 3 340.818 3.787 20 0 EHADHM Cc1ccccc1[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC000737421932 598942840 /nfs/dbraw/zinc/94/28/40/598942840.db2.gz NSZQEMHLFLFNKW-HNNXBMFYSA-N -1 3 340.818 3.787 20 0 EHADHM Cc1ccccc1[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC000737421938 598943167 /nfs/dbraw/zinc/94/31/67/598943167.db2.gz NSZQEMHLFLFNKW-OAHLLOKOSA-N -1 3 340.818 3.787 20 0 EHADHM Cc1ccccc1[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC000737421938 598943168 /nfs/dbraw/zinc/94/31/68/598943168.db2.gz NSZQEMHLFLFNKW-OAHLLOKOSA-N -1 3 340.818 3.787 20 0 EHADHM CCC(CC)c1cc(CNc2c(F)cc(-c3nnn[n-]3)cc2F)on1 ZINC000820897834 599045823 /nfs/dbraw/zinc/04/58/23/599045823.db2.gz OYQNYESZRIUJBA-UHFFFAOYSA-N -1 3 348.357 3.649 20 0 EHADHM CCC(CC)c1cc(CNc2c(F)cc(-c3nn[n-]n3)cc2F)on1 ZINC000820897834 599045827 /nfs/dbraw/zinc/04/58/27/599045827.db2.gz OYQNYESZRIUJBA-UHFFFAOYSA-N -1 3 348.357 3.649 20 0 EHADHM C[C@H](CNc1cc(Cl)ccc1-c1nnn[n-]1)Oc1cccc(F)c1 ZINC000820274872 599059161 /nfs/dbraw/zinc/05/91/61/599059161.db2.gz LFDWERVOQDEDSB-SNVBAGLBSA-N -1 3 347.781 3.539 20 0 EHADHM C[C@H](CNc1cc(Cl)ccc1-c1nn[n-]n1)Oc1cccc(F)c1 ZINC000820274872 599059162 /nfs/dbraw/zinc/05/91/62/599059162.db2.gz LFDWERVOQDEDSB-SNVBAGLBSA-N -1 3 347.781 3.539 20 0 EHADHM Cc1ccc(CC[C@H](C)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000822236322 599065056 /nfs/dbraw/zinc/06/50/56/599065056.db2.gz UEUHNADCMQFEEZ-JTQLQIEISA-N -1 3 331.807 3.855 20 0 EHADHM Cc1ccc(CC[C@H](C)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000822236322 599065059 /nfs/dbraw/zinc/06/50/59/599065059.db2.gz UEUHNADCMQFEEZ-JTQLQIEISA-N -1 3 331.807 3.855 20 0 EHADHM CC(C)CN(C(=O)[C@@H]1CCC[C@H](C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735819493 599070065 /nfs/dbraw/zinc/07/00/65/599070065.db2.gz WRIRFYXNZGZCNO-GOEBONIOSA-N -1 3 341.459 3.682 20 0 EHADHM CC(C)CN(C(=O)[C@@H]1CCC[C@H](C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735819493 599070067 /nfs/dbraw/zinc/07/00/67/599070067.db2.gz WRIRFYXNZGZCNO-GOEBONIOSA-N -1 3 341.459 3.682 20 0 EHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)s1 ZINC000736678433 599071183 /nfs/dbraw/zinc/07/11/83/599071183.db2.gz CFFYQZPWHIADPN-OLZOCXBDSA-N -1 3 345.472 3.646 20 0 EHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)s1 ZINC000736678433 599071186 /nfs/dbraw/zinc/07/11/86/599071186.db2.gz CFFYQZPWHIADPN-OLZOCXBDSA-N -1 3 345.472 3.646 20 0 EHADHM Clc1ccc2c(c1Cl)OC[C@H]2Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822581167 599075821 /nfs/dbraw/zinc/07/58/21/599075821.db2.gz CNSJQPPTGYHIEW-GFCCVEGCSA-N -1 3 348.193 3.719 20 0 EHADHM C[C@H](COCc1ccccc1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820286359 599080137 /nfs/dbraw/zinc/08/01/37/599080137.db2.gz AOIRHPNANHISSZ-GFCCVEGCSA-N -1 3 343.818 3.537 20 0 EHADHM C[C@H](COCc1ccccc1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820286359 599080140 /nfs/dbraw/zinc/08/01/40/599080140.db2.gz AOIRHPNANHISSZ-GFCCVEGCSA-N -1 3 343.818 3.537 20 0 EHADHM O=C(/C=C\C1CC1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000822923242 599145432 /nfs/dbraw/zinc/14/54/32/599145432.db2.gz PCJLTZUSJZGGPN-GHXNOFRVSA-N -1 3 347.378 3.564 20 0 EHADHM O=C(/C=C\C1CC1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000822923242 599145435 /nfs/dbraw/zinc/14/54/35/599145435.db2.gz PCJLTZUSJZGGPN-GHXNOFRVSA-N -1 3 347.378 3.564 20 0 EHADHM COc1ccc(C=Cc2nc3ccccc3s2)cc1-c1nnn[n-]1 ZINC000737080971 599150793 /nfs/dbraw/zinc/15/07/93/599150793.db2.gz KAOPJIFRJUYCBP-CLFYSBASSA-N -1 3 335.392 3.655 20 0 EHADHM COc1ccc(C=Cc2nc3ccccc3s2)cc1-c1nn[n-]n1 ZINC000737080971 599150795 /nfs/dbraw/zinc/15/07/95/599150795.db2.gz KAOPJIFRJUYCBP-CLFYSBASSA-N -1 3 335.392 3.655 20 0 EHADHM Cc1ccccc1[C@@H](C)CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737422794 599161366 /nfs/dbraw/zinc/16/13/66/599161366.db2.gz OXCXMVIGMCFMMQ-LSDHHAIUSA-N -1 3 349.438 3.546 20 0 EHADHM Cc1ccccc1[C@@H](C)CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737422794 599161369 /nfs/dbraw/zinc/16/13/69/599161369.db2.gz OXCXMVIGMCFMMQ-LSDHHAIUSA-N -1 3 349.438 3.546 20 0 EHADHM Fc1cc(-c2nnn[n-]2)ccc1SCc1ccc2ccccc2n1 ZINC000737643271 599171708 /nfs/dbraw/zinc/17/17/08/599171708.db2.gz DUSIPUCATJJTNN-UHFFFAOYSA-N -1 3 337.383 3.846 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1SCc1ccc2ccccc2n1 ZINC000737643271 599171711 /nfs/dbraw/zinc/17/17/11/599171711.db2.gz DUSIPUCATJJTNN-UHFFFAOYSA-N -1 3 337.383 3.846 20 0 EHADHM CCCC[C@@H](CC)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736436210 599221886 /nfs/dbraw/zinc/22/18/86/599221886.db2.gz BIJRYDOYEYLFFU-LLVKDONJSA-N -1 3 347.488 3.962 20 0 EHADHM CCCC[C@@H](CC)CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736436210 599221888 /nfs/dbraw/zinc/22/18/88/599221888.db2.gz BIJRYDOYEYLFFU-LLVKDONJSA-N -1 3 347.488 3.962 20 0 EHADHM CCSc1ccccc1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821460998 607294063 /nfs/dbraw/zinc/29/40/63/607294063.db2.gz IPTYVILWWDCNIO-UHFFFAOYSA-N -1 3 339.424 3.539 20 0 EHADHM CCSc1ccccc1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821460998 607294064 /nfs/dbraw/zinc/29/40/64/607294064.db2.gz IPTYVILWWDCNIO-UHFFFAOYSA-N -1 3 339.424 3.539 20 0 EHADHM CCCOc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1Cl ZINC000821134278 607308730 /nfs/dbraw/zinc/30/87/30/607308730.db2.gz RSJWCBWIMMNOFT-UHFFFAOYSA-N -1 3 349.847 3.983 20 0 EHADHM CCCOc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1Cl ZINC000821134278 607308731 /nfs/dbraw/zinc/30/87/31/607308731.db2.gz RSJWCBWIMMNOFT-UHFFFAOYSA-N -1 3 349.847 3.983 20 0 EHADHM CCCCOc1ccccc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000821077721 607311565 /nfs/dbraw/zinc/31/15/65/607311565.db2.gz QZLRVDYRQMRFNK-UHFFFAOYSA-N -1 3 329.429 3.719 20 0 EHADHM CCCCOc1ccccc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000821077721 607311566 /nfs/dbraw/zinc/31/15/66/607311566.db2.gz QZLRVDYRQMRFNK-UHFFFAOYSA-N -1 3 329.429 3.719 20 0 EHADHM Clc1cc2cccnc2c(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822567462 607311927 /nfs/dbraw/zinc/31/19/27/607311927.db2.gz BTAKHBGLTVTDRV-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM Clc1cc2cccnc2c(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822567462 607311928 /nfs/dbraw/zinc/31/19/28/607311928.db2.gz BTAKHBGLTVTDRV-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM Cc1csc(-c2ccc(NCc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000822409101 607315152 /nfs/dbraw/zinc/31/51/52/607315152.db2.gz MAQVDPFDXYTONO-UHFFFAOYSA-N -1 3 348.435 3.911 20 0 EHADHM Cc1csc(-c2ccc(NCc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000822409101 607315153 /nfs/dbraw/zinc/31/51/53/607315153.db2.gz MAQVDPFDXYTONO-UHFFFAOYSA-N -1 3 348.435 3.911 20 0 EHADHM C[C@@H](Nc1nc(C(F)(F)F)cs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820461457 607303738 /nfs/dbraw/zinc/30/37/38/607303738.db2.gz KDOIBWPUDZSNHW-SSDOTTSWSA-N -1 3 340.334 3.515 20 0 EHADHM C[C@@H](Nc1nc(C(F)(F)F)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461457 607303739 /nfs/dbraw/zinc/30/37/39/607303739.db2.gz KDOIBWPUDZSNHW-SSDOTTSWSA-N -1 3 340.334 3.515 20 0 EHADHM CCc1ccc([C@@H]2CCCN2c2cccc(F)c2-c2nnn[n-]2)o1 ZINC000736683598 599266028 /nfs/dbraw/zinc/26/60/28/599266028.db2.gz FAFGHQUFJPUJHT-ZDUSSCGKSA-N -1 3 327.363 3.503 20 0 EHADHM CCc1ccc([C@@H]2CCCN2c2cccc(F)c2-c2nn[n-]n2)o1 ZINC000736683598 599266029 /nfs/dbraw/zinc/26/60/29/599266029.db2.gz FAFGHQUFJPUJHT-ZDUSSCGKSA-N -1 3 327.363 3.503 20 0 EHADHM FC(F)Sc1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000822736980 607316566 /nfs/dbraw/zinc/31/65/66/607316566.db2.gz NGDPUIXKVFXTOG-UHFFFAOYSA-N -1 3 339.396 3.855 20 0 EHADHM Cc1cccc(-c2ccc(CNc3ccc(-c4nnn[n-]4)cn3)cc2)c1 ZINC000737380853 599268997 /nfs/dbraw/zinc/26/89/97/599268997.db2.gz SJRVDRIFKIABBF-UHFFFAOYSA-N -1 3 342.406 3.849 20 0 EHADHM Cc1cccc(-c2ccc(CNc3ccc(-c4nn[n-]n4)cn3)cc2)c1 ZINC000737380853 599269003 /nfs/dbraw/zinc/26/90/03/599269003.db2.gz SJRVDRIFKIABBF-UHFFFAOYSA-N -1 3 342.406 3.849 20 0 EHADHM Cc1coc(-c2cc(NCc3cccc(-c4nnn[n-]4)c3)ccc2C)n1 ZINC000822402502 607319765 /nfs/dbraw/zinc/31/97/65/607319765.db2.gz BSRAOFZRLYCGMT-UHFFFAOYSA-N -1 3 346.394 3.751 20 0 EHADHM Cc1coc(-c2cc(NCc3cccc(-c4nn[n-]n4)c3)ccc2C)n1 ZINC000822402502 607319766 /nfs/dbraw/zinc/31/97/66/607319766.db2.gz BSRAOFZRLYCGMT-UHFFFAOYSA-N -1 3 346.394 3.751 20 0 EHADHM c1cc(NCc2ccc(-c3nnn[n-]3)cc2)cc(N2CCCCCC2)c1 ZINC000823756991 607318128 /nfs/dbraw/zinc/31/81/28/607318128.db2.gz IUAHYQYQWBHJEN-UHFFFAOYSA-N -1 3 348.454 3.859 20 0 EHADHM c1cc(NCc2ccc(-c3nn[n-]n3)cc2)cc(N2CCCCCC2)c1 ZINC000823756991 607318129 /nfs/dbraw/zinc/31/81/29/607318129.db2.gz IUAHYQYQWBHJEN-UHFFFAOYSA-N -1 3 348.454 3.859 20 0 EHADHM C[C@@H](Oc1ccc2c(c1)CCCC2=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736174807 599289138 /nfs/dbraw/zinc/28/91/38/599289138.db2.gz OTPVECBMRATMKA-GFCCVEGCSA-N -1 3 334.379 3.526 20 0 EHADHM C[C@@H](Oc1ccc2c(c1)CCCC2=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736174807 599289140 /nfs/dbraw/zinc/28/91/40/599289140.db2.gz OTPVECBMRATMKA-GFCCVEGCSA-N -1 3 334.379 3.526 20 0 EHADHM CCCOc1ccc([C@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736491242 598242943 /nfs/dbraw/zinc/24/29/43/598242943.db2.gz VZHPPOSAFDDQLE-LBPRGKRZSA-N -1 3 341.390 3.968 20 0 EHADHM c1ccc(Oc2ccc(CNc3ncccc3-c3nnn[n-]3)cc2)cc1 ZINC000738433042 598245841 /nfs/dbraw/zinc/24/58/41/598245841.db2.gz NKUFJIVUNPEJBD-UHFFFAOYSA-N -1 3 344.378 3.666 20 0 EHADHM c1ccc(Oc2ccc(CNc3ncccc3-c3nn[n-]n3)cc2)cc1 ZINC000738433042 598245842 /nfs/dbraw/zinc/24/58/42/598245842.db2.gz NKUFJIVUNPEJBD-UHFFFAOYSA-N -1 3 344.378 3.666 20 0 EHADHM CCC1(C)CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000736398202 598263947 /nfs/dbraw/zinc/26/39/47/598263947.db2.gz YXHAEENNMKYBNK-UHFFFAOYSA-N -1 3 348.838 3.564 20 0 EHADHM CCC1(C)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000736398202 598263948 /nfs/dbraw/zinc/26/39/48/598263948.db2.gz YXHAEENNMKYBNK-UHFFFAOYSA-N -1 3 348.838 3.564 20 0 EHADHM Cc1cccc(N(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000737395980 598328517 /nfs/dbraw/zinc/32/85/17/598328517.db2.gz DHGCHKIYSRBNFC-UHFFFAOYSA-N -1 3 349.438 3.549 20 0 EHADHM Cc1cccc(N(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000737395980 598328519 /nfs/dbraw/zinc/32/85/19/598328519.db2.gz DHGCHKIYSRBNFC-UHFFFAOYSA-N -1 3 349.438 3.549 20 0 EHADHM C[C@H](Cc1ccccc1Cl)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000736056359 598388926 /nfs/dbraw/zinc/38/89/26/598388926.db2.gz BCLPYQDESRFLSW-SECBINFHSA-N -1 3 349.225 3.612 20 0 EHADHM C[C@H](Cc1ccccc1Cl)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000736056359 598388929 /nfs/dbraw/zinc/38/89/29/598388929.db2.gz BCLPYQDESRFLSW-SECBINFHSA-N -1 3 349.225 3.612 20 0 EHADHM c1cc(-c2nc(CNc3ccccc3-c3nnn[n-]3)cs2)cs1 ZINC000738422663 598418928 /nfs/dbraw/zinc/41/89/28/598418928.db2.gz KFGQVVPGPNMXPI-UHFFFAOYSA-N -1 3 340.437 3.664 20 0 EHADHM c1cc(-c2nc(CNc3ccccc3-c3nn[n-]n3)cs2)cs1 ZINC000738422663 598418930 /nfs/dbraw/zinc/41/89/30/598418930.db2.gz KFGQVVPGPNMXPI-UHFFFAOYSA-N -1 3 340.437 3.664 20 0 EHADHM CSc1ccc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737193464 598486451 /nfs/dbraw/zinc/48/64/51/598486451.db2.gz SDHDLPPZSPBRQO-NSHDSACASA-N -1 3 340.408 3.507 20 0 EHADHM CSc1ccc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737193464 598486453 /nfs/dbraw/zinc/48/64/53/598486453.db2.gz SDHDLPPZSPBRQO-NSHDSACASA-N -1 3 340.408 3.507 20 0 EHADHM CCOCc1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000736625624 598507667 /nfs/dbraw/zinc/50/76/67/598507667.db2.gz JJCBWVSIIOJLNG-UHFFFAOYSA-N -1 3 343.818 3.669 20 0 EHADHM CCOCc1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000736625624 598507669 /nfs/dbraw/zinc/50/76/69/598507669.db2.gz JJCBWVSIIOJLNG-UHFFFAOYSA-N -1 3 343.818 3.669 20 0 EHADHM O=C(CCCCCc1cccs1)Nc1sccc1-c1nnn[n-]1 ZINC000737827050 598568730 /nfs/dbraw/zinc/56/87/30/598568730.db2.gz VRIBGCAFDXAJBN-UHFFFAOYSA-N -1 3 347.469 3.731 20 0 EHADHM O=C(CCCCCc1cccs1)Nc1sccc1-c1nn[n-]n1 ZINC000737827050 598568731 /nfs/dbraw/zinc/56/87/31/598568731.db2.gz VRIBGCAFDXAJBN-UHFFFAOYSA-N -1 3 347.469 3.731 20 0 EHADHM c1ccc2c(c1)nccc2SCCOc1ccccc1-c1nnn[n-]1 ZINC000738424612 598585685 /nfs/dbraw/zinc/58/56/85/598585685.db2.gz HEECJSILNOXJNO-UHFFFAOYSA-N -1 3 349.419 3.586 20 0 EHADHM c1ccc2c(c1)nccc2SCCOc1ccccc1-c1nn[n-]n1 ZINC000738424612 598585687 /nfs/dbraw/zinc/58/56/87/598585687.db2.gz HEECJSILNOXJNO-UHFFFAOYSA-N -1 3 349.419 3.586 20 0 EHADHM Clc1ccc(-c2nn[n-]n2)c(N2CCC[C@H]2c2cccs2)c1 ZINC000737570637 598630852 /nfs/dbraw/zinc/63/08/52/598630852.db2.gz JGCMYRWYSRURLK-LBPRGKRZSA-N -1 3 331.832 3.923 20 0 EHADHM Clc1ccc(-c2nnn[n-]2)c(N2CCC[C@H]2c2cccs2)c1 ZINC000737570637 598630851 /nfs/dbraw/zinc/63/08/51/598630851.db2.gz JGCMYRWYSRURLK-LBPRGKRZSA-N -1 3 331.832 3.923 20 0 EHADHM Fc1ccc(OCCCNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737657815 598667179 /nfs/dbraw/zinc/66/71/79/598667179.db2.gz ZVUUSYPFTAYBAK-UHFFFAOYSA-N -1 3 347.781 3.540 20 0 EHADHM Fc1ccc(OCCCNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737657815 598667177 /nfs/dbraw/zinc/66/71/77/598667177.db2.gz ZVUUSYPFTAYBAK-UHFFFAOYSA-N -1 3 347.781 3.540 20 0 EHADHM CCN(C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCCCC1 ZINC000736504505 598727701 /nfs/dbraw/zinc/72/77/01/598727701.db2.gz BAAXIDWLQOWDCS-UHFFFAOYSA-N -1 3 348.838 3.707 20 0 EHADHM CCN(C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCCCC1 ZINC000736504505 598727702 /nfs/dbraw/zinc/72/77/02/598727702.db2.gz BAAXIDWLQOWDCS-UHFFFAOYSA-N -1 3 348.838 3.707 20 0 EHADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCCC(C)(C)C ZINC000735875584 598735536 /nfs/dbraw/zinc/73/55/36/598735536.db2.gz WGABPHZKIYLKLL-UHFFFAOYSA-N -1 3 343.475 3.820 20 0 EHADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCCC(C)(C)C ZINC000735875584 598735537 /nfs/dbraw/zinc/73/55/37/598735537.db2.gz WGABPHZKIYLKLL-UHFFFAOYSA-N -1 3 343.475 3.820 20 0 EHADHM CC[C@@H](CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736335303 598736199 /nfs/dbraw/zinc/73/61/99/598736199.db2.gz ZVCZPJDOBPFWBZ-GJZGRUSLSA-N -1 3 349.438 3.628 20 0 EHADHM CC[C@@H](CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736335303 598736200 /nfs/dbraw/zinc/73/62/00/598736200.db2.gz ZVCZPJDOBPFWBZ-GJZGRUSLSA-N -1 3 349.438 3.628 20 0 EHADHM CC[C@H](CC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736331385 598737587 /nfs/dbraw/zinc/73/75/87/598737587.db2.gz JMNCPRPNVQHDMA-GFCCVEGCSA-N -1 3 339.374 3.528 20 0 EHADHM CC[C@H](CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736331385 598737590 /nfs/dbraw/zinc/73/75/90/598737590.db2.gz JMNCPRPNVQHDMA-GFCCVEGCSA-N -1 3 339.374 3.528 20 0 EHADHM CCS[C@H]1CCCCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736663020 598748327 /nfs/dbraw/zinc/74/83/27/598748327.db2.gz ALPKSOTWQGRETD-LBPRGKRZSA-N -1 3 337.880 3.632 20 0 EHADHM CCS[C@H]1CCCCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736663020 598748329 /nfs/dbraw/zinc/74/83/29/598748329.db2.gz ALPKSOTWQGRETD-LBPRGKRZSA-N -1 3 337.880 3.632 20 0 EHADHM Cc1cc(Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)ncn1 ZINC000737280554 598787947 /nfs/dbraw/zinc/78/79/47/598787947.db2.gz MIQUJDZMZGTVEF-UHFFFAOYSA-N -1 3 345.366 3.501 20 0 EHADHM Clc1ccc(N2CC[C@@H](c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000737573867 598794960 /nfs/dbraw/zinc/79/49/60/598794960.db2.gz DJONNXJZUZCPNV-CYBMUJFWSA-N -1 3 325.803 3.514 20 0 EHADHM Clc1ccc(N2CC[C@@H](c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000737573867 598794962 /nfs/dbraw/zinc/79/49/62/598794962.db2.gz DJONNXJZUZCPNV-CYBMUJFWSA-N -1 3 325.803 3.514 20 0 EHADHM COc1ccc(Cl)cc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737099441 599324126 /nfs/dbraw/zinc/32/41/26/599324126.db2.gz LUXHGPRQLIASLL-JTQLQIEISA-N -1 3 329.791 3.702 20 0 EHADHM COc1ccc(Cl)cc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737099441 599324128 /nfs/dbraw/zinc/32/41/28/599324128.db2.gz LUXHGPRQLIASLL-JTQLQIEISA-N -1 3 329.791 3.702 20 0 EHADHM CC(C)OCc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820145601 599370186 /nfs/dbraw/zinc/37/01/86/599370186.db2.gz BQKAUFFFNUWWIW-AWEZNQCLSA-N -1 3 337.427 3.965 20 0 EHADHM CC(C)OCc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820145601 599370188 /nfs/dbraw/zinc/37/01/88/599370188.db2.gz BQKAUFFFNUWWIW-AWEZNQCLSA-N -1 3 337.427 3.965 20 0 EHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cc3occc3s2)s1 ZINC000736679215 599372474 /nfs/dbraw/zinc/37/24/74/599372474.db2.gz OMXIXJKISPELEH-UHFFFAOYSA-N -1 3 345.409 3.551 20 0 EHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc3occc3s2)s1 ZINC000736679215 599372475 /nfs/dbraw/zinc/37/24/75/599372475.db2.gz OMXIXJKISPELEH-UHFFFAOYSA-N -1 3 345.409 3.551 20 0 EHADHM Cc1ccc2c(c1)CC[C@H]2Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737376681 599416920 /nfs/dbraw/zinc/41/69/20/599416920.db2.gz KQYXGIYJOSGECQ-GOSISDBHSA-N -1 3 342.406 3.823 20 0 EHADHM Cc1ccc2c(c1)CC[C@H]2Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737376681 599416927 /nfs/dbraw/zinc/41/69/27/599416927.db2.gz KQYXGIYJOSGECQ-GOSISDBHSA-N -1 3 342.406 3.823 20 0 EHADHM Cc1ccc2c(c1)CC[C@@H]2Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737376683 599417173 /nfs/dbraw/zinc/41/71/73/599417173.db2.gz KQYXGIYJOSGECQ-SFHVURJKSA-N -1 3 342.406 3.823 20 0 EHADHM Cc1ccc2c(c1)CC[C@@H]2Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737376683 599417174 /nfs/dbraw/zinc/41/71/74/599417174.db2.gz KQYXGIYJOSGECQ-SFHVURJKSA-N -1 3 342.406 3.823 20 0 EHADHM C[C@@H](CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)CC(C)(C)C ZINC000820220161 599527952 /nfs/dbraw/zinc/52/79/52/599527952.db2.gz ODSUHSLSWIETLY-QWHCGFSZSA-N -1 3 329.448 3.506 20 0 EHADHM C[C@@H](CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)CC(C)(C)C ZINC000820220161 599527954 /nfs/dbraw/zinc/52/79/54/599527954.db2.gz ODSUHSLSWIETLY-QWHCGFSZSA-N -1 3 329.448 3.506 20 0 EHADHM Cc1ccc(C[C@H](C)Nc2c(F)cc(-c3nnn[n-]3)cc2F)s1 ZINC000737334398 599528693 /nfs/dbraw/zinc/52/86/93/599528693.db2.gz HDDMUSZSAOSYEV-QMMMGPOBSA-N -1 3 335.383 3.558 20 0 EHADHM Cc1ccc(C[C@H](C)Nc2c(F)cc(-c3nn[n-]n3)cc2F)s1 ZINC000737334398 599528696 /nfs/dbraw/zinc/52/86/96/599528696.db2.gz HDDMUSZSAOSYEV-QMMMGPOBSA-N -1 3 335.383 3.558 20 0 EHADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2C[C@H](c3ccccc3C)C[C@H]2C)n1 ZINC000737243542 599528708 /nfs/dbraw/zinc/52/87/08/599528708.db2.gz AEHURPCKWITNIC-HZPDHXFCSA-N -1 3 348.454 3.569 20 0 EHADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2C[C@H](c3ccccc3C)C[C@H]2C)n1 ZINC000737243542 599528711 /nfs/dbraw/zinc/52/87/11/599528711.db2.gz AEHURPCKWITNIC-HZPDHXFCSA-N -1 3 348.454 3.569 20 0 EHADHM CC[C@H](CC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(C)cc1 ZINC000606347549 599537964 /nfs/dbraw/zinc/53/79/64/599537964.db2.gz AYJKEVFDXKNMOL-CQSZACIVSA-N -1 3 335.411 3.698 20 0 EHADHM CC[C@H](CC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(C)cc1 ZINC000606347549 599537969 /nfs/dbraw/zinc/53/79/69/599537969.db2.gz AYJKEVFDXKNMOL-CQSZACIVSA-N -1 3 335.411 3.698 20 0 EHADHM CC[C@H](CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1)c1ccc(C)cc1 ZINC000736335169 599544007 /nfs/dbraw/zinc/54/40/07/599544007.db2.gz YNIZJZVSEATRHU-OAHLLOKOSA-N -1 3 349.438 3.722 20 0 EHADHM CC[C@H](CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1)c1ccc(C)cc1 ZINC000736335169 599544009 /nfs/dbraw/zinc/54/40/09/599544009.db2.gz YNIZJZVSEATRHU-OAHLLOKOSA-N -1 3 349.438 3.722 20 0 EHADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1ccc(F)cc1-c1nnn[n-]1 ZINC000820668439 599563242 /nfs/dbraw/zinc/56/32/42/599563242.db2.gz SNFUCVITHZLDDO-AAEUAGOBSA-N -1 3 341.365 3.527 20 0 EHADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1ccc(F)cc1-c1nn[n-]n1 ZINC000820668439 599563244 /nfs/dbraw/zinc/56/32/44/599563244.db2.gz SNFUCVITHZLDDO-AAEUAGOBSA-N -1 3 341.365 3.527 20 0 EHADHM CC[C@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000820927150 599563782 /nfs/dbraw/zinc/56/37/82/599563782.db2.gz ZVXPHTPFHQNMSH-AWEZNQCLSA-N -1 3 333.317 3.847 20 0 EHADHM CC[C@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000820927150 599563784 /nfs/dbraw/zinc/56/37/84/599563784.db2.gz ZVXPHTPFHQNMSH-AWEZNQCLSA-N -1 3 333.317 3.847 20 0 EHADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1ccc(F)cc1-c1nnn[n-]1 ZINC000820668442 599564377 /nfs/dbraw/zinc/56/43/77/599564377.db2.gz SNFUCVITHZLDDO-YPMHNXCESA-N -1 3 341.365 3.527 20 0 EHADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1ccc(F)cc1-c1nn[n-]n1 ZINC000820668442 599564379 /nfs/dbraw/zinc/56/43/79/599564379.db2.gz SNFUCVITHZLDDO-YPMHNXCESA-N -1 3 341.365 3.527 20 0 EHADHM Clc1ccc(-c2nnn[n-]2)c(N2CC[C@H](Cc3ccccc3)C2)c1 ZINC000822568427 599579505 /nfs/dbraw/zinc/57/95/05/599579505.db2.gz QSRYFQZTFNZMQE-CQSZACIVSA-N -1 3 339.830 3.589 20 0 EHADHM Clc1ccc(-c2nn[n-]n2)c(N2CC[C@H](Cc3ccccc3)C2)c1 ZINC000822568427 599579506 /nfs/dbraw/zinc/57/95/06/599579506.db2.gz QSRYFQZTFNZMQE-CQSZACIVSA-N -1 3 339.830 3.589 20 0 EHADHM Fc1cccc(Nc2ccc(CC(F)(F)F)cc2)c1-c1nnn[n-]1 ZINC000822791658 599580890 /nfs/dbraw/zinc/58/08/90/599580890.db2.gz KLTKCJZGSUIEDZ-UHFFFAOYSA-N -1 3 337.280 3.854 20 0 EHADHM Fc1cccc(Nc2ccc(CC(F)(F)F)cc2)c1-c1nn[n-]n1 ZINC000822791658 599580892 /nfs/dbraw/zinc/58/08/92/599580892.db2.gz KLTKCJZGSUIEDZ-UHFFFAOYSA-N -1 3 337.280 3.854 20 0 EHADHM CCCCC[C@H](C)CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000821043956 599630215 /nfs/dbraw/zinc/63/02/15/599630215.db2.gz WGIPGCPFRBWAEK-LBPRGKRZSA-N -1 3 333.411 3.575 20 0 EHADHM CCCCC[C@H](C)CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000821043956 599630216 /nfs/dbraw/zinc/63/02/16/599630216.db2.gz WGIPGCPFRBWAEK-LBPRGKRZSA-N -1 3 333.411 3.575 20 0 EHADHM Fc1ccc(NCC2CCC(C(F)(F)F)CC2)c(-c2nnn[n-]2)c1 ZINC000822778927 599689540 /nfs/dbraw/zinc/68/95/40/599689540.db2.gz OLOHVJGVZBVOHL-UHFFFAOYSA-N -1 3 343.328 3.786 20 0 EHADHM Fc1ccc(NCC2CCC(C(F)(F)F)CC2)c(-c2nn[n-]n2)c1 ZINC000822778927 599689541 /nfs/dbraw/zinc/68/95/41/599689541.db2.gz OLOHVJGVZBVOHL-UHFFFAOYSA-N -1 3 343.328 3.786 20 0 EHADHM Cc1nc2ccccc2nc1CN(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000583505017 599887630 /nfs/dbraw/zinc/88/76/30/599887630.db2.gz ORQJURFHUTWRQE-HNNXBMFYSA-N -1 3 349.434 3.661 20 0 EHADHM O=C([O-])c1ccc(-c2nc(CN3CCC[C@H]3C3CC3)cs2)cc1 ZINC000740099367 599965455 /nfs/dbraw/zinc/96/54/55/599965455.db2.gz XDXHROJPHSIAIK-INIZCTEOSA-N -1 3 328.437 3.883 20 0 EHADHM CCCC[C@@H](CC)CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825259260 607417032 /nfs/dbraw/zinc/41/70/32/607417032.db2.gz HVCOHOISTCNXTM-CQSZACIVSA-N -1 3 341.459 3.579 20 0 EHADHM CCCC[C@@H](CC)CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825259260 607417033 /nfs/dbraw/zinc/41/70/33/607417033.db2.gz HVCOHOISTCNXTM-CQSZACIVSA-N -1 3 341.459 3.579 20 0 EHADHM Cc1cc(CNC(C)(C)c2cccc(F)c2)cc(C)c1OCC(=O)[O-] ZINC000738390297 600267285 /nfs/dbraw/zinc/26/72/85/600267285.db2.gz XUKRAWHSCZJPGU-UHFFFAOYSA-N -1 3 345.414 3.931 20 0 EHADHM O=C([O-])[C@@H]1CC12CCN(Cc1cc(Cl)ccc1OC(F)F)CC2 ZINC000405292271 600288896 /nfs/dbraw/zinc/28/88/96/600288896.db2.gz KWIPFPQGUYJGQQ-LBPRGKRZSA-N -1 3 345.773 3.628 20 0 EHADHM C[C@H](c1ccccc1Br)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405363574 600301906 /nfs/dbraw/zinc/30/19/06/600301906.db2.gz RHWBVWLOUFOOFB-DGCLKSJQSA-N -1 3 338.245 3.697 20 0 EHADHM Cc1nc2c(s1)[C@@H](N(C)Cc1ccc(F)cc1C(=O)[O-])CCC2 ZINC000581374776 600336066 /nfs/dbraw/zinc/33/60/66/600336066.db2.gz ANKGLBVDHUMHFH-HNNXBMFYSA-N -1 3 334.416 3.798 20 0 EHADHM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCC(OC2CCCC2)CC1 ZINC000583636386 600402288 /nfs/dbraw/zinc/40/22/88/600402288.db2.gz UVHNDGLZVMISQT-KRWDZBQOSA-N -1 3 337.847 3.889 20 0 EHADHM O=C([O-])c1cccc(OCCN2CCS[C@@H](c3ccccc3)C2)c1 ZINC000740232769 600413312 /nfs/dbraw/zinc/41/33/12/600413312.db2.gz WIWRRRWLZZLPMG-GOSISDBHSA-N -1 3 343.448 3.554 20 0 EHADHM O=C([O-])[C@H](NCc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000739499930 600417529 /nfs/dbraw/zinc/41/75/29/600417529.db2.gz LGQPYMLPIAANGR-CQSZACIVSA-N -1 3 327.277 3.760 20 0 EHADHM O=C([O-])[C@@H](NCc1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000391357043 600423430 /nfs/dbraw/zinc/42/34/30/600423430.db2.gz AWGSFINERXRWBK-AWEZNQCLSA-N -1 3 327.277 3.760 20 0 EHADHM CCCCOc1cccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000736999762 600424395 /nfs/dbraw/zinc/42/43/95/600424395.db2.gz HTQHOUBYKPMAAK-GOSISDBHSA-N -1 3 331.387 3.920 20 0 EHADHM COc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1OC ZINC000737951491 600425626 /nfs/dbraw/zinc/42/56/26/600425626.db2.gz VWYHBAJPXXALKD-APPDUMDISA-N -1 3 349.814 3.834 20 0 EHADHM O=C([O-])[C@H](NCc1ccc(OC2CCCCC2)nc1)c1ccccc1 ZINC000738523190 600432071 /nfs/dbraw/zinc/43/20/71/600432071.db2.gz ADNJPGKGMVUHIO-LJQANCHMSA-N -1 3 340.423 3.709 20 0 EHADHM Cc1cc(CNCc2coc3ccccc23)cc(C)c1OCC(=O)[O-] ZINC000738393743 600451196 /nfs/dbraw/zinc/45/11/96/600451196.db2.gz XVGTZFAOQFQWIU-UHFFFAOYSA-N -1 3 339.391 3.803 20 0 EHADHM O=C([O-])[C@@H](NCCSc1ccc(Cl)cc1)c1ccccc1F ZINC000833165317 600733892 /nfs/dbraw/zinc/73/38/92/600733892.db2.gz IMUIYANLVUVSDA-HNNXBMFYSA-N -1 3 339.819 3.987 20 0 EHADHM CC[C@](NCc1cc2c(c(Cl)c1)OCO2)(C(=O)[O-])c1ccccc1 ZINC000828988974 601003664 /nfs/dbraw/zinc/00/36/64/601003664.db2.gz LTCOBQZJBOYMCN-GOSISDBHSA-N -1 3 347.798 3.548 20 0 EHADHM CCc1oc(C(=O)[O-])cc1CN[C@H](c1ccc(OC)cc1)C1CC1 ZINC000830375246 601411458 /nfs/dbraw/zinc/41/14/58/601411458.db2.gz KBABHMQMHXIAIK-SFHVURJKSA-N -1 3 329.396 3.790 20 0 EHADHM CC(C)[C@H]1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000826735873 601496907 /nfs/dbraw/zinc/49/69/07/601496907.db2.gz JNVHBSPGAKUMBX-HNNXBMFYSA-N -1 3 330.453 3.986 20 0 EHADHM O=C([O-])c1sccc1CN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000576949102 601821462 /nfs/dbraw/zinc/82/14/62/601821462.db2.gz CTPHOTFFNWLXTO-CYBMUJFWSA-N -1 3 331.393 3.512 20 0 EHADHM CCc1ccc([C@H](C)N[C@H](C(=O)[O-])c2cc(OC)cc(OC)c2)cc1 ZINC000830237378 602163357 /nfs/dbraw/zinc/16/33/57/602163357.db2.gz JNDLVPOSKVRZCB-DJJJIMSYSA-N -1 3 343.423 3.743 20 0 EHADHM COc1cc(OC)cc([C@H](NCc2ccc(C(C)C)cc2)C(=O)[O-])c1 ZINC000832057758 602168869 /nfs/dbraw/zinc/16/88/69/602168869.db2.gz SEAXNOQVHDOUAS-IBGZPJMESA-N -1 3 343.423 3.743 20 0 EHADHM CN(C)Cc1c2ccccc2oc1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000830619395 602182867 /nfs/dbraw/zinc/18/28/67/602182867.db2.gz FJNGTCRXMVNAEA-UHFFFAOYSA-N -1 3 344.392 3.506 20 0 EHADHM CC[C@@](C)(CC(=O)[O-])NCc1csc(CCc2ccccc2)n1 ZINC000828673044 602222269 /nfs/dbraw/zinc/22/22/69/602222269.db2.gz ZTXHFBDBMBQWCQ-SFHVURJKSA-N -1 3 332.469 3.661 20 0 EHADHM O=C([O-])NC1CCC(NCc2c(Cl)cccc2OC(F)F)CC1 ZINC000740560154 603089867 /nfs/dbraw/zinc/08/98/67/603089867.db2.gz WZYAWBPFGCSSEH-UHFFFAOYSA-N -1 3 348.777 3.610 20 0 EHADHM CC(C)c1nc([C@@H](C)NCCC2CCN(C(=O)[O-])CC2)cs1 ZINC000738880926 603304816 /nfs/dbraw/zinc/30/48/16/603304816.db2.gz XKNCQVMPXOIINZ-GFCCVEGCSA-N -1 3 325.478 3.697 20 0 EHADHM Cc1ccc(-c2cc(CN3CCC[C@H]([C@@H](C)NC(=O)[O-])C3)on2)cc1 ZINC000830148732 604234649 /nfs/dbraw/zinc/23/46/49/604234649.db2.gz HGDCTXYDOMZCHN-ZBFHGGJFSA-N -1 3 343.427 3.518 20 0 EHADHM CCCOc1c(Cl)cc(CN2CCCC[C@H]2C(=O)[O-])cc1OC ZINC000263412575 604522289 /nfs/dbraw/zinc/52/22/89/604522289.db2.gz LZGGAUAJNSKUEB-AWEZNQCLSA-N -1 3 341.835 3.577 20 0 EHADHM C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CC[C@](C)(C(=O)[O-])C1 ZINC000574644320 605072933 /nfs/dbraw/zinc/07/29/33/605072933.db2.gz FHJLUHHOOGLZJO-DIFFPNOSSA-N -1 3 334.803 3.853 20 0 EHADHM C[C@@H](NCc1ccc([C@H](C)NC(=O)[O-])cc1)c1ccnc(Cl)c1 ZINC000825502295 605118601 /nfs/dbraw/zinc/11/86/01/605118601.db2.gz HYPGMTKXCQQWSV-NEPJUHHUSA-N -1 3 333.819 3.914 20 0 EHADHM CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1CNC(C)(C)C(=O)[O-] ZINC000833460478 605235213 /nfs/dbraw/zinc/23/52/13/605235213.db2.gz FXWFOOMBGXWVNJ-UHFFFAOYSA-N -1 3 349.862 3.776 20 0 EHADHM CC(C)(CN[C@H](C(=O)[O-])c1c(F)cccc1Cl)[C@H]1CCCCO1 ZINC000833458722 605360685 /nfs/dbraw/zinc/36/06/85/605360685.db2.gz XYGRISCZTLXMPM-HIFRSBDPSA-N -1 3 343.826 3.790 20 0 EHADHM CCCCCC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000825268611 607770364 /nfs/dbraw/zinc/77/03/64/607770364.db2.gz WFCBBYMOEGDNAC-UHFFFAOYSA-N -1 3 342.428 3.509 20 0 EHADHM CCCCCC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825268611 607770365 /nfs/dbraw/zinc/77/03/65/607770365.db2.gz WFCBBYMOEGDNAC-UHFFFAOYSA-N -1 3 342.428 3.509 20 0 EHADHM O=C([O-])c1ccc(F)c(CN[C@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000833780688 605845341 /nfs/dbraw/zinc/84/53/41/605845341.db2.gz AJUWOGDSBMTTPY-AUUYWEPGSA-N -1 3 343.398 3.781 20 0 EHADHM Fc1ccc2c(c1)CC[C@@H]2Nc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000822787059 606056904 /nfs/dbraw/zinc/05/69/04/606056904.db2.gz TZMNZGLYDGFHAU-KRWDZBQOSA-N -1 3 346.369 3.653 20 0 EHADHM Fc1ccc2c(c1)CC[C@@H]2Nc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000822787059 606056910 /nfs/dbraw/zinc/05/69/10/606056910.db2.gz TZMNZGLYDGFHAU-KRWDZBQOSA-N -1 3 346.369 3.653 20 0 EHADHM Fc1ccc(-c2nnn[n-]2)cc1CN1CC[C@H]1c1ccc(Cl)cc1 ZINC000822758774 606099305 /nfs/dbraw/zinc/09/93/05/606099305.db2.gz YJSDHSVQNXVUCR-INIZCTEOSA-N -1 3 343.793 3.606 20 0 EHADHM Fc1ccc(-c2nn[n-]n2)cc1CN1CC[C@H]1c1ccc(Cl)cc1 ZINC000822758774 606099308 /nfs/dbraw/zinc/09/93/08/606099308.db2.gz YJSDHSVQNXVUCR-INIZCTEOSA-N -1 3 343.793 3.606 20 0 EHADHM CCOc1ccc(-c2nnn[n-]2)cc1N[C@H]1CCc2ccc(F)cc21 ZINC000821412414 606326700 /nfs/dbraw/zinc/32/67/00/606326700.db2.gz KZKYRNMRUKQZNU-HNNXBMFYSA-N -1 3 339.374 3.504 20 0 EHADHM CCOc1ccc(-c2nn[n-]n2)cc1N[C@H]1CCc2ccc(F)cc21 ZINC000821412414 606326702 /nfs/dbraw/zinc/32/67/02/606326702.db2.gz KZKYRNMRUKQZNU-HNNXBMFYSA-N -1 3 339.374 3.504 20 0 EHADHM C[C@@H](OC(=O)c1cc2ccccc2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820507601 606341162 /nfs/dbraw/zinc/34/11/62/606341162.db2.gz INEJLWUHSPEPMO-LLVKDONJSA-N -1 3 334.335 3.531 20 0 EHADHM C[C@@H](OC(=O)c1cc2ccccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820507601 606341164 /nfs/dbraw/zinc/34/11/64/606341164.db2.gz INEJLWUHSPEPMO-LLVKDONJSA-N -1 3 334.335 3.531 20 0 EHADHM C[C@H](OC(=O)CC/C=C/c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820496708 606356045 /nfs/dbraw/zinc/35/60/45/606356045.db2.gz OONGIWVGQDHZED-BOSPYUDASA-N -1 3 348.406 3.965 20 0 EHADHM C[C@H](OC(=O)CC/C=C/c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820496708 606356046 /nfs/dbraw/zinc/35/60/46/606356046.db2.gz OONGIWVGQDHZED-BOSPYUDASA-N -1 3 348.406 3.965 20 0 EHADHM CSc1ccccc1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821984795 606358879 /nfs/dbraw/zinc/35/88/79/606358879.db2.gz TUKVWVTUJZAJFG-LLVKDONJSA-N -1 3 340.408 3.507 20 0 EHADHM CSc1ccccc1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821984795 606358881 /nfs/dbraw/zinc/35/88/81/606358881.db2.gz TUKVWVTUJZAJFG-LLVKDONJSA-N -1 3 340.408 3.507 20 0 EHADHM COc1ccc([C@@H](C)Nc2ccc(Cl)cc2-c2nnn[n-]2)cc1F ZINC000821778339 606422807 /nfs/dbraw/zinc/42/28/07/606422807.db2.gz YPYZAKLVAUYUSR-SECBINFHSA-N -1 3 347.781 3.841 20 0 EHADHM COc1ccc([C@@H](C)Nc2ccc(Cl)cc2-c2nn[n-]n2)cc1F ZINC000821778339 606422809 /nfs/dbraw/zinc/42/28/09/606422809.db2.gz YPYZAKLVAUYUSR-SECBINFHSA-N -1 3 347.781 3.841 20 0 EHADHM O=C(Oc1ccccc1-c1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823455052 606462358 /nfs/dbraw/zinc/46/23/58/606462358.db2.gz WBGGYVMMACPTOB-UHFFFAOYSA-N -1 3 348.387 3.814 20 0 EHADHM O=C(Oc1ccccc1-c1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823455052 606462359 /nfs/dbraw/zinc/46/23/59/606462359.db2.gz WBGGYVMMACPTOB-UHFFFAOYSA-N -1 3 348.387 3.814 20 0 EHADHM CCN(C(=O)C(C)=C1CCCC1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149361 606619525 /nfs/dbraw/zinc/61/95/25/606619525.db2.gz WSQXGLNNFWSERG-CQSZACIVSA-N -1 3 339.443 3.667 20 0 EHADHM CCN(C(=O)C(C)=C1CCCC1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149361 606619527 /nfs/dbraw/zinc/61/95/27/606619527.db2.gz WSQXGLNNFWSERG-CQSZACIVSA-N -1 3 339.443 3.667 20 0 EHADHM CCN(C(=O)C(C)=C1CCCC1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149360 606619576 /nfs/dbraw/zinc/61/95/76/606619576.db2.gz WSQXGLNNFWSERG-AWEZNQCLSA-N -1 3 339.443 3.667 20 0 EHADHM CCN(C(=O)C(C)=C1CCCC1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149360 606619578 /nfs/dbraw/zinc/61/95/78/606619578.db2.gz WSQXGLNNFWSERG-AWEZNQCLSA-N -1 3 339.443 3.667 20 0 EHADHM CC1(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCC1 ZINC000820577086 606628036 /nfs/dbraw/zinc/62/80/36/606628036.db2.gz JKQVDDVSECEKTF-UHFFFAOYSA-N -1 3 349.394 3.788 20 0 EHADHM CC1(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCC1 ZINC000820577086 606628037 /nfs/dbraw/zinc/62/80/37/606628037.db2.gz JKQVDDVSECEKTF-UHFFFAOYSA-N -1 3 349.394 3.788 20 0 EHADHM Cc1nc(CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)sc1C ZINC000822444240 606695183 /nfs/dbraw/zinc/69/51/83/606695183.db2.gz IGYATMDOKPYRCX-NSHDSACASA-N -1 3 331.470 3.934 20 0 EHADHM Cc1nc(CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)sc1C ZINC000822444240 606695184 /nfs/dbraw/zinc/69/51/84/606695184.db2.gz IGYATMDOKPYRCX-NSHDSACASA-N -1 3 331.470 3.934 20 0 EHADHM Cc1ccc(Cl)c(NC(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000822239883 606777396 /nfs/dbraw/zinc/77/73/96/606777396.db2.gz JAUOOCHAQSPUGB-UHFFFAOYSA-N -1 3 344.831 3.637 20 0 EHADHM Cc1ccc(Cl)c(NC(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000822239883 606777397 /nfs/dbraw/zinc/77/73/97/606777397.db2.gz JAUOOCHAQSPUGB-UHFFFAOYSA-N -1 3 344.831 3.637 20 0 EHADHM FC(F)Oc1cccc(CSc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822737519 607012009 /nfs/dbraw/zinc/01/20/09/607012009.db2.gz YJSCDHYMACSLRU-UHFFFAOYSA-N -1 3 334.351 3.760 20 0 EHADHM FC(F)Oc1cccc(CSc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822737519 607012011 /nfs/dbraw/zinc/01/20/11/607012011.db2.gz YJSCDHYMACSLRU-UHFFFAOYSA-N -1 3 334.351 3.760 20 0 EHADHM CCC(CC)CC(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820892909 607032514 /nfs/dbraw/zinc/03/25/14/607032514.db2.gz GXWHYTZMDHEJDU-CYBMUJFWSA-N -1 3 329.448 3.603 20 0 EHADHM CCC(CC)CC(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820892909 607032515 /nfs/dbraw/zinc/03/25/15/607032515.db2.gz GXWHYTZMDHEJDU-CYBMUJFWSA-N -1 3 329.448 3.603 20 0 EHADHM O=C(Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)[C@H]1CC12CCC2 ZINC000823444683 607113741 /nfs/dbraw/zinc/11/37/41/607113741.db2.gz NHMWKCSOZZKZRC-QGZVFWFLSA-N -1 3 346.390 3.629 20 0 EHADHM O=C(Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)[C@H]1CC12CCC2 ZINC000823444683 607113743 /nfs/dbraw/zinc/11/37/43/607113743.db2.gz NHMWKCSOZZKZRC-QGZVFWFLSA-N -1 3 346.390 3.629 20 0 EHADHM CCCc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821139101 607189837 /nfs/dbraw/zinc/18/98/37/607189837.db2.gz OCPBALRYWAAGFY-UHFFFAOYSA-N -1 3 341.802 3.725 20 0 EHADHM CCCc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821139101 607189838 /nfs/dbraw/zinc/18/98/38/607189838.db2.gz OCPBALRYWAAGFY-UHFFFAOYSA-N -1 3 341.802 3.725 20 0 EHADHM C[C@@H]1CCC[C@@H](N(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820697575 607197307 /nfs/dbraw/zinc/19/73/07/607197307.db2.gz JDORHYVQQDYRPB-ZYHUDNBSSA-N -1 3 348.838 3.563 20 0 EHADHM C[C@@H]1CCC[C@@H](N(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820697575 607197308 /nfs/dbraw/zinc/19/73/08/607197308.db2.gz JDORHYVQQDYRPB-ZYHUDNBSSA-N -1 3 348.838 3.563 20 0 EHADHM COc1ccc(-c2nnn[n-]2)cc1CSCCCCC(F)(F)F ZINC000826184538 607785821 /nfs/dbraw/zinc/78/58/21/607785821.db2.gz ARVMQHHSNLZUAE-UHFFFAOYSA-N -1 3 346.378 3.841 20 0 EHADHM COc1ccc(-c2nn[n-]n2)cc1CSCCCCC(F)(F)F ZINC000826184538 607785822 /nfs/dbraw/zinc/78/58/22/607785822.db2.gz ARVMQHHSNLZUAE-UHFFFAOYSA-N -1 3 346.378 3.841 20 0 EHADHM CC[C@H](CC(=O)N(C)c1ccccc1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000825083283 607788624 /nfs/dbraw/zinc/78/86/24/607788624.db2.gz ZGNNEZBHMMUUGG-OAHLLOKOSA-N -1 3 349.438 3.722 20 0 EHADHM CC[C@H](CC(=O)N(C)c1ccccc1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000825083283 607788625 /nfs/dbraw/zinc/78/86/25/607788625.db2.gz ZGNNEZBHMMUUGG-OAHLLOKOSA-N -1 3 349.438 3.722 20 0 EHADHM c1csc(CN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C2CC2)c1 ZINC000826525839 607840118 /nfs/dbraw/zinc/84/01/18/607840118.db2.gz AYZDOYDRIJYCBO-UHFFFAOYSA-N -1 3 348.435 3.645 20 0 EHADHM c1csc(CN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C2CC2)c1 ZINC000826525839 607840119 /nfs/dbraw/zinc/84/01/19/607840119.db2.gz AYZDOYDRIJYCBO-UHFFFAOYSA-N -1 3 348.435 3.645 20 0 EHADHM Cc1csc(-c2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000826320413 608152842 /nfs/dbraw/zinc/15/28/42/608152842.db2.gz PQGUAQOSKLFUJL-UHFFFAOYSA-N -1 3 349.419 3.878 20 0 EHADHM Cc1csc(-c2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000826320413 608152843 /nfs/dbraw/zinc/15/28/43/608152843.db2.gz PQGUAQOSKLFUJL-UHFFFAOYSA-N -1 3 349.419 3.878 20 0 EHADHM c1cc([C@@H]2CCCN2c2ccc3cc(-c4nnn[n-]4)ccc3n2)cs1 ZINC000826514833 608224390 /nfs/dbraw/zinc/22/43/90/608224390.db2.gz DZIGYTCEZFERRA-INIZCTEOSA-N -1 3 348.435 3.818 20 0 EHADHM c1cc([C@@H]2CCCN2c2ccc3cc(-c4nn[n-]n4)ccc3n2)cs1 ZINC000826514833 608224392 /nfs/dbraw/zinc/22/43/92/608224392.db2.gz DZIGYTCEZFERRA-INIZCTEOSA-N -1 3 348.435 3.818 20 0 EHADHM c1oc2ccccc2c1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826522792 608229704 /nfs/dbraw/zinc/22/97/04/608229704.db2.gz OIQWCJXDTUAMED-UHFFFAOYSA-N -1 3 342.362 3.773 20 0 EHADHM c1oc2ccccc2c1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826522792 608229705 /nfs/dbraw/zinc/22/97/05/608229705.db2.gz OIQWCJXDTUAMED-UHFFFAOYSA-N -1 3 342.362 3.773 20 0 EHADHM Cc1nc(CCSc2ccc(-c3nnn[n-]3)cc2Cl)cs1 ZINC000826326018 608403917 /nfs/dbraw/zinc/40/39/17/608403917.db2.gz VRVDYCJSNKOTEG-UHFFFAOYSA-N -1 3 337.861 3.620 20 0 EHADHM Cc1nc(CCSc2ccc(-c3nn[n-]n3)cc2Cl)cs1 ZINC000826326018 608403918 /nfs/dbraw/zinc/40/39/18/608403918.db2.gz VRVDYCJSNKOTEG-UHFFFAOYSA-N -1 3 337.861 3.620 20 0 EHADHM CC[C@H](C)n1ncc(NCc2ccc(-c3nnn[n-]3)s2)c1C1CC1 ZINC000825082069 608427791 /nfs/dbraw/zinc/42/77/91/608427791.db2.gz PWEXLDLATGNDFW-JTQLQIEISA-N -1 3 343.460 3.585 20 0 EHADHM C[C@H](NCc1cc(-c2nn[n-]n2)ccc1F)c1c(F)cccc1Cl ZINC000824606144 608553196 /nfs/dbraw/zinc/55/31/96/608553196.db2.gz NUKIXJIPFRWYCZ-VIFPVBQESA-N -1 3 349.772 3.649 20 0 EHADHM FCc1ccc(CSCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826370246 609185643 /nfs/dbraw/zinc/18/56/43/609185643.db2.gz JZFUGEXLKHVAJS-UHFFFAOYSA-N -1 3 332.379 3.909 20 0 EHADHM FCc1ccc(CSCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826370246 609185645 /nfs/dbraw/zinc/18/56/45/609185645.db2.gz JZFUGEXLKHVAJS-UHFFFAOYSA-N -1 3 332.379 3.909 20 0 EHADHM CC(C)(C)c1ncc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)s1 ZINC000824141709 609198780 /nfs/dbraw/zinc/19/87/80/609198780.db2.gz MMAGHDMWIUWYKD-UHFFFAOYSA-N -1 3 348.863 3.886 20 0 EHADHM CC(C)(C)c1ncc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)s1 ZINC000824141709 609198781 /nfs/dbraw/zinc/19/87/81/609198781.db2.gz MMAGHDMWIUWYKD-UHFFFAOYSA-N -1 3 348.863 3.886 20 0 EHADHM C[C@H](NCc1cc2ccccc2o1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824612237 609329108 /nfs/dbraw/zinc/32/91/08/609329108.db2.gz LGNNJLBRDZDKGN-NSHDSACASA-N -1 3 337.358 3.603 20 0 EHADHM CC[C@@H](C)CCCCC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825061930 609504616 /nfs/dbraw/zinc/50/46/16/609504616.db2.gz ZRRNCZKYXWFBQF-KGLIPLIRSA-N -1 3 329.448 3.650 20 0 EHADHM CC[C@@H](C)CCCCC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825061930 609504618 /nfs/dbraw/zinc/50/46/18/609504618.db2.gz ZRRNCZKYXWFBQF-KGLIPLIRSA-N -1 3 329.448 3.650 20 0 EHADHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)C1CCCCCCC1 ZINC000738207845 945254963 /nfs/dbraw/zinc/25/49/63/945254963.db2.gz IXLWHTHBNRQOPC-UHFFFAOYSA-N -1 3 345.472 3.716 20 0 EHADHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)C1CCCCCCC1 ZINC000738207845 945254971 /nfs/dbraw/zinc/25/49/71/945254971.db2.gz IXLWHTHBNRQOPC-UHFFFAOYSA-N -1 3 345.472 3.716 20 0 EHADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)C1CC1 ZINC000819877641 945305929 /nfs/dbraw/zinc/30/59/29/945305929.db2.gz ZMOJHVQJJLULTH-JTQLQIEISA-N -1 3 345.472 3.572 20 0 EHADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)C1CC1 ZINC000819877641 945305938 /nfs/dbraw/zinc/30/59/38/945305938.db2.gz ZMOJHVQJJLULTH-JTQLQIEISA-N -1 3 345.472 3.572 20 0 EHADHM CC(C)Cc1cccc([C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000509180812 944634861 /nfs/dbraw/zinc/63/48/61/944634861.db2.gz DIHTWSPOUJQDDG-CQSZACIVSA-N -1 3 349.438 3.807 20 0 EHADHM CC(C)Cc1cccc([C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000509180812 944634864 /nfs/dbraw/zinc/63/48/64/944634864.db2.gz DIHTWSPOUJQDDG-CQSZACIVSA-N -1 3 349.438 3.807 20 0 EHADHM C[C@H](N[C@H](c1ccco1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824539859 946779970 /nfs/dbraw/zinc/77/99/70/946779970.db2.gz QDZJSCPLLZTYIW-LIRRHRJNSA-N -1 3 345.406 3.900 20 0 EHADHM C[C@@H](OC(=O)CCCc1ccsc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824713895 946909313 /nfs/dbraw/zinc/90/93/13/946909313.db2.gz KQOPRONFSHRDAL-GFCCVEGCSA-N -1 3 342.424 3.555 20 0 EHADHM C[C@@H](OC(=O)CCCc1ccsc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824713895 946909321 /nfs/dbraw/zinc/90/93/21/946909321.db2.gz KQOPRONFSHRDAL-GFCCVEGCSA-N -1 3 342.424 3.555 20 0 EHADHM CC[C@H](C)n1nc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825082166 947072189 /nfs/dbraw/zinc/07/21/89/947072189.db2.gz QXYNBIMIQDZNSN-AAEUAGOBSA-N -1 3 325.420 3.516 20 0 EHADHM CC[C@H](C)n1nc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825082166 947072202 /nfs/dbraw/zinc/07/22/02/947072202.db2.gz QXYNBIMIQDZNSN-AAEUAGOBSA-N -1 3 325.420 3.516 20 0 EHADHM CC(C)c1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC001574419657 948788400 /nfs/dbraw/zinc/78/84/00/948788400.db2.gz IMTZOSUWBACDCT-UHFFFAOYSA-N -1 3 341.802 3.896 20 0 EHADHM CC(C)c1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC001574419657 948788410 /nfs/dbraw/zinc/78/84/10/948788410.db2.gz IMTZOSUWBACDCT-UHFFFAOYSA-N -1 3 341.802 3.896 20 0 EHADHM C[C@H]1CCCC[C@@]1(C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001576155103 949380763 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334.803 3.538 20 0 EHADHM COc1ccc([C@H](C)NCc2ccc(C(=O)[O-])cc2)c(C)c1OC ZINC000263413552 962580729 /nfs/dbraw/zinc/58/07/29/962580729.db2.gz MHYUWFYOZDJECS-ZDUSSCGKSA-N -1 3 329.396 3.561 20 0 EHADHM CC(C)(C)CN(CC(=O)[O-])Cc1cc(F)ccc1Br ZINC000662228046 968759895 /nfs/dbraw/zinc/75/98/95/968759895.db2.gz SPOVXEZHOHQOGI-UHFFFAOYSA-N -1 3 332.213 3.521 20 0 EHADHM O=C([O-])[C@@H]1C[C@@H](N[C@H](c2cncc(F)c2)C2CC2)c2ccccc21 ZINC001605982765 973015917 /nfs/dbraw/zinc/01/59/17/973015917.db2.gz DAIYUEHTFNGCAI-KURKYZTESA-N -1 3 326.371 3.575 20 0 EHADHM COc1cccc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)c1 ZINC000349012054 1014174085 /nfs/dbraw/zinc/17/40/85/1014174085.db2.gz WPSYGQIQHPCXIN-UHFFFAOYSA-N -1 3 349.159 3.500 20 0 EHADHM O=C([O-])c1cnc(CN2CCCC[C@H]2CCCc2ccccc2)cn1 ZINC000530162919 974359091 /nfs/dbraw/zinc/35/90/91/974359091.db2.gz KZYRBEMDUMYGIT-SFHVURJKSA-N -1 3 339.439 3.552 20 0 EHADHM CCC[C@]1(CO)CCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000563455359 974533975 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O=C(NCc1ncccc1[O-])Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000471116996 1014542884 /nfs/dbraw/zinc/54/28/84/1014542884.db2.gz QZHBTBMYOUOWFR-UHFFFAOYSA-N -1 3 331.375 3.680 20 0 EHADHM C[C@H](CN[C@H](C(=O)[O-])c1ccccc1Cl)Oc1ccc(F)cc1 ZINC001592706427 979176243 /nfs/dbraw/zinc/17/62/43/979176243.db2.gz KBCKTQXGPDSBAO-BZNIZROVSA-N -1 3 337.778 3.662 20 0 EHADHM C[C@H](CSc1ccccc1)N(C)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001592831784 979559561 /nfs/dbraw/zinc/55/95/61/979559561.db2.gz GGDSXPIIOYDTMK-IWMPZKFUSA-N -1 3 331.437 3.990 20 0 EHADHM CC[C@@H](N[C@@H]1CCCn2nc(C(=O)[O-])cc21)c1cccc(Cl)c1 ZINC001595282486 980343134 /nfs/dbraw/zinc/34/31/34/980343134.db2.gz FOUNJELPTDPVAI-ZIAGYGMSSA-N -1 3 333.819 3.811 20 0 EHADHM O=C([O-])C[C@@]1(NCc2ccc(-c3ccccc3Cl)o2)CCCOC1 ZINC000901527024 980352865 /nfs/dbraw/zinc/35/28/65/980352865.db2.gz TXGIVDYVYPXPOK-SFHVURJKSA-N -1 3 349.814 3.714 20 0 EHADHM CC[C@](NCc1cccc(OC2CC2)c1F)(C(=O)[O-])c1ccccc1 ZINC001595305212 980443629 /nfs/dbraw/zinc/44/36/29/980443629.db2.gz MUAHLKLKERWWOX-HXUWFJFHSA-N -1 3 343.398 3.847 20 0 EHADHM Cc1ncccc1CN[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000901746227 980476094 /nfs/dbraw/zinc/47/60/94/980476094.db2.gz MJWSBUMIYHEAMT-MRXNPFEDSA-N -1 3 339.222 3.786 20 0 EHADHM C[C@@H](NCCCCCOc1ccccc1)c1ncc(C(=O)[O-])s1 ZINC000901906932 980619380 /nfs/dbraw/zinc/61/93/80/980619380.db2.gz ARWMNZVJLSCFAZ-CYBMUJFWSA-N -1 3 334.441 3.741 20 0 EHADHM C[C@@H](CN(Cc1cnc(CCc2ccccc2)s1)C1CC1)C(=O)[O-] ZINC000901992148 980672565 /nfs/dbraw/zinc/67/25/65/980672565.db2.gz GWTVWNWBKWNTBU-AWEZNQCLSA-N -1 3 344.480 3.613 20 0 EHADHM CC[C@H](c1ccccc1OC)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001595364011 980789144 /nfs/dbraw/zinc/78/91/44/980789144.db2.gz MPYXBUGZKDJUJU-GOSISDBHSA-N -1 3 343.423 3.742 20 0 EHADHM CC(C)CO[C@@H]1CCN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000902402755 980872335 /nfs/dbraw/zinc/87/23/35/980872335.db2.gz AGOWHKNKQYXLNN-OAHLLOKOSA-N -1 3 343.423 3.892 20 0 EHADHM Cc1cccc(OCCCNCc2ccc(/C=C\C(=O)[O-])o2)c1C ZINC000902449563 980892981 /nfs/dbraw/zinc/89/29/81/980892981.db2.gz BTRWIAPAYHVIND-KTKRTIGZSA-N -1 3 329.396 3.553 20 0 EHADHM O=C([O-])c1ccc(CN2CCC[C@@H]3CCC[C@@H]32)cc1Br ZINC000902523292 980920157 /nfs/dbraw/zinc/92/01/57/980920157.db2.gz BLXQVROIUZWHEO-WFASDCNBSA-N -1 3 338.245 3.912 20 0 EHADHM O=C([O-])c1ccc(CN2CCC[C@H]2[C@H]2CCCO2)c(C(F)(F)F)c1 ZINC000902546529 980928774 /nfs/dbraw/zinc/92/87/74/980928774.db2.gz WMKKVELFCKISAZ-LSDHHAIUSA-N -1 3 343.345 3.547 20 0 EHADHM Cc1cc([C@H](C)N2CCC[C@H](Cc3nccs3)C2)oc1C(=O)[O-] ZINC000903632326 981009658 /nfs/dbraw/zinc/00/96/58/981009658.db2.gz WTKLJLMTJCLTDR-QWHCGFSZSA-N -1 3 334.441 3.758 20 0 EHADHM CC[C@H]1CN(Cc2cc(C(=O)[O-])cs2)CCN1Cc1ccccc1 ZINC001595486935 981229850 /nfs/dbraw/zinc/22/98/50/981229850.db2.gz GLMBFXDITZDIQF-KRWDZBQOSA-N -1 3 344.480 3.543 20 0 EHADHM COc1ccc([C@H](CC(=O)[O-])NCc2cccc(OC(C)C)c2)cc1 ZINC000683172026 1014724949 /nfs/dbraw/zinc/72/49/49/1014724949.db2.gz UEQHYCZMDMBIOA-IBGZPJMESA-N -1 3 343.423 3.788 20 0 EHADHM COC[C@H](NCc1cccc([O-])c1Br)c1ccccc1 ZINC000459423178 1032103297 /nfs/dbraw/zinc/10/32/97/1032103297.db2.gz ZBUPEFNFLKAKQB-AWEZNQCLSA-N -1 3 336.229 3.632 20 0 EHADHM CC[C@@H](C)N(CC(=O)[O-])Cc1cc(F)c(C(F)(F)F)cc1F ZINC001594979228 982765199 /nfs/dbraw/zinc/76/51/99/982765199.db2.gz FILSQXFLIFVOIJ-MRVPVSSYSA-N -1 3 325.277 3.669 20 0 EHADHM Cc1cc2c(cc1Br)CN([C@@H](CC(C)C)C(=O)[O-])CC2 ZINC000923271086 982854000 /nfs/dbraw/zinc/85/40/00/982854000.db2.gz KKRYQCXZIZKNOZ-HNNXBMFYSA-N -1 3 340.261 3.615 20 0 EHADHM CCCc1cccc(CN2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)c1 ZINC001596068485 983381700 /nfs/dbraw/zinc/38/17/00/983381700.db2.gz GMCGCOIWOIGRFK-LSDHHAIUSA-N -1 3 329.362 3.724 20 0 EHADHM CCc1cccc(CC)c1NC(=O)[C@@H](C)[S@](=O)c1ccc([O-])cc1 ZINC000108085601 1014950816 /nfs/dbraw/zinc/95/08/16/1014950816.db2.gz YZGMCAKKRVURNM-YEBMWUKDSA-N -1 3 345.464 3.652 20 0 EHADHM CCN(Cc1cc(C(=O)[O-])ccc1OC)[C@@H](C)c1cccc(OC)c1 ZINC001596356627 983826345 /nfs/dbraw/zinc/82/63/45/983826345.db2.gz 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Cc1ccc(-c2nc(CCCOCCc3ccccc3)no2)c([O-])c1 ZINC000436934649 1021395891 /nfs/dbraw/zinc/39/58/91/1021395891.db2.gz YBTSDXODGBCPCN-UHFFFAOYSA-N -1 3 338.407 3.943 20 0 EHADHM O=c1[n-]c(CN2CCCC(F)(F)CC2)nc2c3ccccc3oc21 ZINC000625769866 1021396728 /nfs/dbraw/zinc/39/67/28/1021396728.db2.gz YHXQMTXIIGDDKS-UHFFFAOYSA-N -1 3 333.338 3.703 20 0 EHADHM CC[C@H](C)Oc1cc(-c2noc(-c3cccc(OC)c3[O-])n2)ccn1 ZINC000436943158 1021403556 /nfs/dbraw/zinc/40/35/56/1021403556.db2.gz KKXWWVDPSDGPMA-NSHDSACASA-N -1 3 341.367 3.690 20 0 EHADHM CCCCOc1ccc(C(=O)N2CCCC[C@@H](CCOC)C2)c([O-])c1 ZINC000436987049 1021441232 /nfs/dbraw/zinc/44/12/32/1021441232.db2.gz HCWNOZLTKHWOTR-INIZCTEOSA-N -1 3 349.471 3.850 20 0 EHADHM CCCCOc1ccc(C(=O)NC[C@@]2(C)CCO[C@H]2C2CC2)c([O-])c1 ZINC000436989004 1021443781 /nfs/dbraw/zinc/44/37/81/1021443781.db2.gz LFLMFXZELYDNHR-AZUAARDMSA-N -1 3 347.455 3.506 20 0 EHADHM CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1[O-] ZINC000436993197 1021448672 /nfs/dbraw/zinc/44/86/72/1021448672.db2.gz ZOBBPEUFCLXGAT-KBMXLJTQSA-N -1 3 345.439 3.507 20 0 EHADHM Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436999928 1021471528 /nfs/dbraw/zinc/47/15/28/1021471528.db2.gz MJSDGYUAVCIZNE-UHFFFAOYSA-N -1 3 335.232 3.632 20 0 EHADHM CCCCc1nc(NC(=O)c2ccoc2CCC)c(C(=O)OCC)[n-]1 ZINC000341374088 1021596891 /nfs/dbraw/zinc/59/68/91/1021596891.db2.gz YEXMJRXREJTREL-UHFFFAOYSA-N -1 3 347.415 3.727 20 0 EHADHM CC(C)(C)c1cccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c1 ZINC000519703666 1021617050 /nfs/dbraw/zinc/61/70/50/1021617050.db2.gz JYOQYXARXQWYBQ-UHFFFAOYSA-N -1 3 346.452 3.608 20 0 EHADHM CC(=O)N[C@H](CC(=O)Nc1c([O-])cccc1Cl)c1ccc(C)cc1 ZINC000519724452 1021634005 /nfs/dbraw/zinc/63/40/05/1021634005.db2.gz LGCKKLZRUKBQCV-OAHLLOKOSA-N -1 3 346.814 3.560 20 0 EHADHM O=S(=O)(CCc1cccc(Cl)c1)[N-]c1cccc(F)c1F ZINC000506651938 1021647866 /nfs/dbraw/zinc/64/78/66/1021647866.db2.gz CUQKGROXVVHPNG-UHFFFAOYSA-N -1 3 331.771 3.603 20 0 EHADHM CCSCC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000437714509 1022090397 /nfs/dbraw/zinc/09/03/97/1022090397.db2.gz CVKZTWNQKQUDLF-VIFPVBQESA-N -1 3 342.313 3.803 20 0 EHADHM CC(C)N(Cc1ccc([O-])c(F)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000891645185 1022202026 /nfs/dbraw/zinc/20/20/26/1022202026.db2.gz PMIPDUZSYOEYTD-UHFFFAOYSA-N -1 3 341.386 3.591 20 0 EHADHM Cc1ccc(C(=O)N2C[C@H](c3ccccc3Cl)OC[C@@H]2C)c([O-])c1 ZINC000110517870 1022279268 /nfs/dbraw/zinc/27/92/68/1022279268.db2.gz MIEKNTINJAPKKK-SCLBCKFNSA-N -1 3 345.826 3.956 20 0 EHADHM CCc1ccc(-c2nc(Cc3cn4cccc(C)c4n3)no2)c([O-])c1 ZINC000581909458 1022299042 /nfs/dbraw/zinc/29/90/42/1022299042.db2.gz BPKGOIFNPXHQMQ-UHFFFAOYSA-N -1 3 334.379 3.552 20 0 EHADHM CCN(Cc1cccs1)C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC000341585713 1022412166 /nfs/dbraw/zinc/41/21/66/1022412166.db2.gz HBNIGTOMADSYAY-UHFFFAOYSA-N -1 3 346.839 3.905 20 0 EHADHM O=C(NCc1ncccc1[O-])N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000471831552 1022469148 /nfs/dbraw/zinc/46/91/48/1022469148.db2.gz HSBBCILQWIPOSD-QGZVFWFLSA-N -1 3 345.830 3.781 20 0 EHADHM Cc1ccc([O-])c(CN[C@@H](C)c2nc3ccccc3n2C(F)F)n1 ZINC000641706106 1033061164 /nfs/dbraw/zinc/06/11/64/1033061164.db2.gz XTRJWWNPZGKXJH-NSHDSACASA-N -1 3 332.354 3.691 20 0 EHADHM CN(CCc1ccccn1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000101630690 1022603091 /nfs/dbraw/zinc/60/30/91/1022603091.db2.gz PDWYQCVIPICOSX-UHFFFAOYSA-N -1 3 346.430 3.693 20 0 EHADHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000331151044 1022755856 /nfs/dbraw/zinc/75/58/56/1022755856.db2.gz BWGZLRPCDWRMCU-UHFFFAOYSA-N -1 3 342.848 3.876 20 0 EHADHM CC(=O)c1ccc(C(=O)N2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)cc1[O-] ZINC000331332197 1022788137 /nfs/dbraw/zinc/78/81/37/1022788137.db2.gz HXAJXIXIULBRLR-KSSFIOAISA-N -1 3 337.419 3.921 20 0 EHADHM O=S(=O)([N-]C(c1ccc(F)cc1)c1ccc(F)cc1)c1ccco1 ZINC000188629511 1022871582 /nfs/dbraw/zinc/87/15/82/1022871582.db2.gz WJNXJLXTASNJGM-UHFFFAOYSA-N -1 3 349.358 3.626 20 0 EHADHM Cc1ncc(/C=C/C(=O)Nc2ccc(Br)cc2[O-])s1 ZINC000112273654 1022901567 /nfs/dbraw/zinc/90/15/67/1022901567.db2.gz BVHXSVJIGDYFHC-HWKANZROSA-N -1 3 339.214 3.572 20 0 EHADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1ccc(F)c2ccccc21 ZINC000341668472 1022922508 /nfs/dbraw/zinc/92/25/08/1022922508.db2.gz WZDADQDFTJWYEJ-JTQLQIEISA-N -1 3 348.399 3.623 20 0 EHADHM COc1ccc([C@H](CCC(=O)[O-])NCc2cc(C)ccc2OC)cc1 ZINC000426715136 1022982033 /nfs/dbraw/zinc/98/20/33/1022982033.db2.gz GUWFLMBBVNGNPZ-SFHVURJKSA-N -1 3 343.423 3.708 20 0 EHADHM CCO[C@H](CC)c1noc(C(=O)[N-]c2ccc(Cl)c(F)c2)n1 ZINC000665041235 1022990779 /nfs/dbraw/zinc/99/07/79/1022990779.db2.gz RHLWUPUJMBGQON-LLVKDONJSA-N -1 3 327.743 3.602 20 0 EHADHM C[C@H](C(=O)[O-])[C@H](NCc1cccc2c1OC(C)(C)C2)c1ccccc1 ZINC000426740228 1023007584 /nfs/dbraw/zinc/00/75/84/1023007584.db2.gz AFLAYSOOSAELRH-KSSFIOAISA-N -1 3 339.435 3.952 20 0 EHADHM CCC(CC)[C@@H]1C[C@@H](NC(=O)c2cc([O-])ccc2Cl)CCO1 ZINC000548417351 1023033191 /nfs/dbraw/zinc/03/31/91/1023033191.db2.gz HVCQZCUWVYKPDI-LRDDRELGSA-N -1 3 325.836 3.759 20 0 EHADHM CC(=O)Nc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)cc1 ZINC000426806128 1023046597 /nfs/dbraw/zinc/04/65/97/1023046597.db2.gz ALPSYDJMGXYYPC-KRWDZBQOSA-N -1 3 346.814 3.522 20 0 EHADHM C[C@@H]1CCC[C@@H](C)N1Cc1ccc(C(=O)[O-])cc1Br ZINC000226718990 1023076290 /nfs/dbraw/zinc/07/62/90/1023076290.db2.gz HAPXISBQFQRYHP-GHMZBOCLSA-N -1 3 326.234 3.910 20 0 EHADHM CCc1ccc(C(=O)N2CCN([C@@H](C)c3ccsc3)CC2)c([O-])c1 ZINC000189772027 1023099917 /nfs/dbraw/zinc/09/99/17/1023099917.db2.gz LSCZVIUSDUVVSN-AWEZNQCLSA-N -1 3 344.480 3.535 20 0 EHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CSc3ccccc32)sc1Cl ZINC000473852781 1023156079 /nfs/dbraw/zinc/15/60/79/1023156079.db2.gz GCOBTBPTUKFPLC-SNVBAGLBSA-N -1 3 345.898 3.835 20 0 EHADHM C[C@@H](NC(=O)c1c([O-])cccc1O)c1ccc(-c2ccncc2)cc1 ZINC000092123758 1023303847 /nfs/dbraw/zinc/30/38/47/1023303847.db2.gz UWHKSUVQVWGUKA-CYBMUJFWSA-N -1 3 334.375 3.651 20 0 EHADHM O=C([N-]CCCOC(F)F)C(F)(F)c1cccc(Cl)c1Cl ZINC000843591618 1023379157 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ZINC000472038539 1024439351 /nfs/dbraw/zinc/43/93/51/1024439351.db2.gz OUNYGHYODIHDJZ-UHFFFAOYSA-N -1 3 340.402 3.985 20 0 EHADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1cccc2cc[nH]c21 ZINC000346162073 1024474461 /nfs/dbraw/zinc/47/44/61/1024474461.db2.gz OKOVDIJDOYHCFJ-UHFFFAOYSA-N -1 3 326.371 3.652 20 0 EHADHM CCc1ccc(C(=O)N2CC[C@@H](c3ccc(OC)cc3)C2)c([O-])c1 ZINC000190767096 1024475614 /nfs/dbraw/zinc/47/56/14/1024475614.db2.gz QLKUSTVVVBFIMN-MRXNPFEDSA-N -1 3 325.408 3.593 20 0 EHADHM CC(C)c1nnc([N-]C(=O)c2csc(Nc3ccccn3)n2)s1 ZINC000346179722 1024494867 /nfs/dbraw/zinc/49/48/67/1024494867.db2.gz RLMCYJZPTFQEIU-UHFFFAOYSA-N -1 3 346.441 3.509 20 0 EHADHM CCCCCC[C@@H](C)NC(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000026424394 1024507774 /nfs/dbraw/zinc/50/77/74/1024507774.db2.gz SUSRJTYYCCWBCJ-SNVBAGLBSA-N -1 3 349.258 3.953 20 0 EHADHM COc1ccc([O-])c(C(=O)Nc2nc(-c3cccs3)cs2)c1 ZINC000514520678 1024533235 /nfs/dbraw/zinc/53/32/35/1024533235.db2.gz XNDXLIFTYPZIQM-UHFFFAOYSA-N -1 3 332.406 3.838 20 0 EHADHM O=C([N-]c1cc(Br)c(F)cc1F)c1ncc(F)cc1F ZINC000190801774 1024543617 /nfs/dbraw/zinc/54/36/17/1024543617.db2.gz GODJJQNFDBMENI-UHFFFAOYSA-N -1 3 349.081 3.653 20 0 EHADHM CC[C@@H](C)CSc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1 ZINC000657283978 1024558486 /nfs/dbraw/zinc/55/84/86/1024558486.db2.gz JXSQEYIWRQCQAD-GFCCVEGCSA-N -1 3 328.441 3.718 20 0 EHADHM Cc1nc(-c2ccc(NC(=O)N3CCCCC[C@@H]3C)cc2)cc(=O)[n-]1 ZINC000548597211 1024629350 /nfs/dbraw/zinc/62/93/50/1024629350.db2.gz JJKWIKMUDBMVIU-ZDUSSCGKSA-N -1 3 340.427 3.954 20 0 EHADHM Cc1n[n-]c(=NCc2ccccc2OCc2ccccc2)n1C1CC1 ZINC000340715463 1024637800 /nfs/dbraw/zinc/63/78/00/1024637800.db2.gz VFDGAOTXTJRPHK-UHFFFAOYSA-N -1 3 334.423 3.534 20 0 EHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCCCC[C@H]1c1ccncc1 ZINC000363554247 1033228266 /nfs/dbraw/zinc/22/82/66/1033228266.db2.gz DFTLXMRAQAXMPF-KRWDZBQOSA-N -1 3 343.402 3.753 20 0 EHADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(C(=O)OCC)o2)CC)n1 ZINC000435336714 1024802369 /nfs/dbraw/zinc/80/23/69/1024802369.db2.gz QFXYVWNXDWPWOG-BENRWUELSA-N -1 3 330.384 3.855 20 0 EHADHM [O-]c1ccc(F)c(CN2CCO[C@H](c3ccccc3Cl)C2)c1F ZINC000508206633 1024948008 /nfs/dbraw/zinc/94/80/08/1024948008.db2.gz HZPHLHCMGLBJCR-INIZCTEOSA-N -1 3 339.769 3.897 20 0 EHADHM COCc1cccc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000277401793 1024964184 /nfs/dbraw/zinc/96/41/84/1024964184.db2.gz RZGLTBOMXJAWDJ-KRWDZBQOSA-N -1 3 333.815 3.792 20 0 EHADHM COc1ccc(Cc2noc(-c3cc4ccccc4cc3[O-])n2)cn1 ZINC000327485841 1024982792 /nfs/dbraw/zinc/98/27/92/1024982792.db2.gz BQIBGDHSDYNDCD-UHFFFAOYSA-N -1 3 333.347 3.590 20 0 EHADHM CCc1ccc(C(=O)N2C[C@@H](c3ccccc3)OC[C@@H]2C)c([O-])c1 ZINC000190964582 1025197409 /nfs/dbraw/zinc/19/74/09/1025197409.db2.gz KCGYALWZXWHYSZ-LIRRHRJNSA-N -1 3 325.408 3.557 20 0 EHADHM [O-]c1ccc(F)c(CN2CC[C@]3(CC(F)(F)C3(F)F)C2)c1F ZINC000896227415 1025263946 /nfs/dbraw/zinc/26/39/46/1025263946.db2.gz NKGFRIINBVMLIP-LBPRGKRZSA-N -1 3 325.252 3.537 20 0 EHADHM CCc1ccc([O-])c(C(=O)N2CCN(c3cccc(C)c3C)CC2)c1 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EHADHM CCc1ccccc1CC(=O)Nc1cc(Br)ccc1[O-] ZINC000443060292 1025676483 /nfs/dbraw/zinc/67/64/83/1025676483.db2.gz FXLQVNUZDNATKH-UHFFFAOYSA-N -1 3 334.213 3.898 20 0 EHADHM O=C(Cc1ccc([O-])c(F)c1)NC12CCC(C(F)(F)F)(CC1)CC2 ZINC000451238080 1025708066 /nfs/dbraw/zinc/70/80/66/1025708066.db2.gz COYIKNZKVDLBHD-UHFFFAOYSA-N -1 3 345.336 3.845 20 0 EHADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCc2cc(F)c(F)cc21 ZINC000436530377 1025839359 /nfs/dbraw/zinc/83/93/59/1025839359.db2.gz ULXNNSJVSGBOCP-UHFFFAOYSA-N -1 3 329.346 3.752 20 0 EHADHM COc1ccc(C(=O)N2CCC[C@H]2c2cccc(C)c2C)c([O-])c1 ZINC000436563213 1025889125 /nfs/dbraw/zinc/88/91/25/1025889125.db2.gz OIACFXIJTXZLGG-SFHVURJKSA-N -1 3 325.408 3.995 20 0 EHADHM Cc1cccc(C)c1C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000474923077 1025890717 /nfs/dbraw/zinc/89/07/17/1025890717.db2.gz FGLSTGPWBBIPFQ-UHFFFAOYSA-N -1 3 327.334 3.646 20 0 EHADHM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(OC)cc2[O-])C12CCCCC2 ZINC000436592702 1025906967 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EHADHM O=C(NCc1cnn(CC2CCC2)c1)c1cc2sccc2c([O-])c1 ZINC000887357582 1138279494 /nfs/dbraw/zinc/27/94/94/1138279494.db2.gz XBIJVCDOMBVFGE-UHFFFAOYSA-N -1 3 341.436 3.534 20 0 EHADHM COc1cc(CNC(=O)Nc2ccc(C)cc2C)cc(Cl)c1[O-] ZINC001202754766 1138295335 /nfs/dbraw/zinc/29/53/35/1138295335.db2.gz OXKUKAYOXHLSKM-UHFFFAOYSA-N -1 3 334.803 3.993 20 0 EHADHM COc1ccc(C)cc1[C@@H](C)NCc1cc(=O)oc2cc([O-])ccc12 ZINC000263842810 1138378884 /nfs/dbraw/zinc/37/88/84/1138378884.db2.gz LJLXGOHDIGSIOC-CYBMUJFWSA-N -1 3 339.391 3.666 20 0 EHADHM O=C(N[C@H]1C[C@H]1c1ccc2ccccc2c1)c1cc(F)cc2n[n-]nc21 ZINC000337570944 1138608852 /nfs/dbraw/zinc/60/88/52/1138608852.db2.gz SLIRWWYQMYSJLI-RDJZCZTQSA-N -1 3 346.365 3.536 20 0 EHADHM Cc1cccnc1[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C(C)C ZINC000265291248 1138797735 /nfs/dbraw/zinc/79/77/35/1138797735.db2.gz KOHFYTIUGCRYJB-GOSISDBHSA-N -1 3 335.407 3.771 20 0 EHADHM CCc1cnc([N-]C(=O)c2sc(Cl)nc2C(F)(F)F)o1 ZINC000889384324 1139199015 /nfs/dbraw/zinc/19/90/15/1139199015.db2.gz NOAKFTIVQOKGIJ-UHFFFAOYSA-N -1 3 325.699 3.618 20 0 EHADHM C[C@@H]1CC[C@H](C)CN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000174013152 1139394613 /nfs/dbraw/zinc/39/46/13/1139394613.db2.gz JWMJIKXIBAPSLY-NWDGAFQWSA-N -1 3 343.452 3.865 20 0 EHADHM O=C([N-]OC[C@H]1CCOC1)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000189227747 1140328800 /nfs/dbraw/zinc/32/88/00/1140328800.db2.gz IOECPYLENVFYFQ-HNNXBMFYSA-N -1 3 337.847 3.527 20 0 EHADHM CC(C)[C@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)c1cccnc1 ZINC000267725721 1140826184 /nfs/dbraw/zinc/82/61/84/1140826184.db2.gz VZQOASRNVQEXFB-INIZCTEOSA-N -1 3 335.407 3.505 20 0 EHADHM COc1cc(C(=O)N(C)[C@H](C)c2ccccc2C)cc(OC)c1[O-] ZINC000271002522 1141292903 /nfs/dbraw/zinc/29/29/03/1141292903.db2.gz LGPCMXXOWGPQGY-CYBMUJFWSA-N -1 3 329.396 3.551 20 0 EHADHM CC(C)Oc1ccc([N-]C(=O)c2noc(-c3ccccc3)n2)c(F)c1 ZINC000339254060 1141540893 /nfs/dbraw/zinc/54/08/93/1141540893.db2.gz LZZOBMWIVUIAHT-UHFFFAOYSA-N -1 3 341.342 3.915 20 0 EHADHM O=C(CCc1cc2ccccc2[nH]c1=O)Nc1ccc(Cl)cc1[O-] ZINC000348684099 1141566466 /nfs/dbraw/zinc/56/64/66/1141566466.db2.gz AZTCUAXKFZZATO-UHFFFAOYSA-N -1 3 342.782 3.871 20 0 EHADHM C[C@@H](NC(=O)NCc1ncccc1[O-])c1ccc(Cl)cc1Cl ZINC000349106487 1141640007 /nfs/dbraw/zinc/64/00/07/1141640007.db2.gz XJKZNGUUGMJWOV-SECBINFHSA-N -1 3 340.210 3.654 20 0 EHADHM C[C@@H]1CC(Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C[C@@H](C)C1 ZINC000736226034 598856705 /nfs/dbraw/zinc/85/67/05/598856705.db2.gz UWCCXDNQPYFPFL-IUCAKERBSA-N -1 3 340.353 3.517 20 0 EHADHM C[C@@H]1CC(Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C[C@@H](C)C1 ZINC000736226034 598856706 /nfs/dbraw/zinc/85/67/06/598856706.db2.gz UWCCXDNQPYFPFL-IUCAKERBSA-N -1 3 340.353 3.517 20 0 EHADHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000566590998 598910602 /nfs/dbraw/zinc/91/06/02/598910602.db2.gz OHFINDNDUZSDJK-QZTJIDSGSA-N -1 3 347.422 3.732 20 0 EHADHM CC(C)c1ccc([C@H]2C[C@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000566590998 598910604 /nfs/dbraw/zinc/91/06/04/598910604.db2.gz OHFINDNDUZSDJK-QZTJIDSGSA-N -1 3 347.422 3.732 20 0 EHADHM O=C(CCC1CC1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737824624 599005016 /nfs/dbraw/zinc/00/50/16/599005016.db2.gz SAVMBYXYGACLJM-UHFFFAOYSA-N -1 3 349.394 3.788 20 0 EHADHM O=C(CCC1CC1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737824624 599005018 /nfs/dbraw/zinc/00/50/18/599005018.db2.gz SAVMBYXYGACLJM-UHFFFAOYSA-N -1 3 349.394 3.788 20 0 EHADHM O=C(OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C1CC=CC1 ZINC000738237137 599019107 /nfs/dbraw/zinc/01/91/07/599019107.db2.gz XVHROTVJDULFPR-UHFFFAOYSA-N -1 3 346.390 3.543 20 0 EHADHM O=C(OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C1CC=CC1 ZINC000738237137 599019109 /nfs/dbraw/zinc/01/91/09/599019109.db2.gz XVHROTVJDULFPR-UHFFFAOYSA-N -1 3 346.390 3.543 20 0 EHADHM C[C@@H]1CCC[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)[C@@H]1C ZINC000736249795 599038614 /nfs/dbraw/zinc/03/86/14/599038614.db2.gz GDRNBVXZQOYJNJ-FXPVBKGRSA-N -1 3 340.353 3.517 20 0 EHADHM C[C@@H]1CCC[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)[C@@H]1C ZINC000736249795 599038617 /nfs/dbraw/zinc/03/86/17/599038617.db2.gz GDRNBVXZQOYJNJ-FXPVBKGRSA-N -1 3 340.353 3.517 20 0 EHADHM COC(C)(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821672502 599045689 /nfs/dbraw/zinc/04/56/89/599045689.db2.gz NBHJHUUGUCNTTK-VIFPVBQESA-N -1 3 343.353 3.501 20 0 EHADHM COC(C)(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821672502 599045692 /nfs/dbraw/zinc/04/56/92/599045692.db2.gz NBHJHUUGUCNTTK-VIFPVBQESA-N -1 3 343.353 3.501 20 0 EHADHM C[C@H]1CCCC[C@H]1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000736270296 599049028 /nfs/dbraw/zinc/04/90/28/599049028.db2.gz JLPPYGCAXVSMRM-UWVGGRQHSA-N -1 3 340.353 3.519 20 0 EHADHM C[C@H]1CCCC[C@H]1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000736270296 599049031 /nfs/dbraw/zinc/04/90/31/599049031.db2.gz JLPPYGCAXVSMRM-UWVGGRQHSA-N -1 3 340.353 3.519 20 0 EHADHM CC(C)[C@H](Nc1ncccc1-c1nnn[n-]1)c1ccccc1Cl ZINC000735734191 599058909 /nfs/dbraw/zinc/05/89/09/599058909.db2.gz LPDWROXKMQBPAF-AWEZNQCLSA-N -1 3 328.807 3.724 20 0 EHADHM CC(C)[C@H](Nc1ncccc1-c1nn[n-]n1)c1ccccc1Cl ZINC000735734191 599058912 /nfs/dbraw/zinc/05/89/12/599058912.db2.gz LPDWROXKMQBPAF-AWEZNQCLSA-N -1 3 328.807 3.724 20 0 EHADHM Clc1ccc([C@H]2CCN2c2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822573975 599063312 /nfs/dbraw/zinc/06/33/12/599063312.db2.gz MEBGVIXZOLDADJ-CYBMUJFWSA-N -1 3 347.209 3.520 20 0 EHADHM Clc1ccc([C@H]2CCN2c2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822573975 599063315 /nfs/dbraw/zinc/06/33/15/599063315.db2.gz MEBGVIXZOLDADJ-CYBMUJFWSA-N -1 3 347.209 3.520 20 0 EHADHM COc1ccc(C)cc1CSc1ccc(-c2nnn[n-]2)cc1F ZINC000737076083 599063469 /nfs/dbraw/zinc/06/34/69/599063469.db2.gz IEOCKRJCNVTTPF-UHFFFAOYSA-N -1 3 330.388 3.615 20 0 EHADHM COc1ccc(C)cc1CSc1ccc(-c2nn[n-]n2)cc1F ZINC000737076083 599063471 /nfs/dbraw/zinc/06/34/71/599063471.db2.gz IEOCKRJCNVTTPF-UHFFFAOYSA-N -1 3 330.388 3.615 20 0 EHADHM Fc1cc(-c2nnn[n-]2)ccc1SCc1nc2ccccc2s1 ZINC000737643722 599064278 /nfs/dbraw/zinc/06/42/78/599064278.db2.gz FDDAXSZLPHBZEN-UHFFFAOYSA-N -1 3 343.412 3.908 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1SCc1nc2ccccc2s1 ZINC000737643722 599064280 /nfs/dbraw/zinc/06/42/80/599064280.db2.gz FDDAXSZLPHBZEN-UHFFFAOYSA-N -1 3 343.412 3.908 20 0 EHADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)Sc1ccccc1 ZINC000820281641 599079866 /nfs/dbraw/zinc/07/98/66/599079866.db2.gz XGWVFXBHICCFDE-LLVKDONJSA-N -1 3 329.404 3.599 20 0 EHADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)Sc1ccccc1 ZINC000820281641 599079867 /nfs/dbraw/zinc/07/98/67/599079867.db2.gz XGWVFXBHICCFDE-LLVKDONJSA-N -1 3 329.404 3.599 20 0 EHADHM Fc1ccc(OCCCSc2ccccc2-c2nnn[n-]2)cc1 ZINC000737656111 599110974 /nfs/dbraw/zinc/11/09/74/599110974.db2.gz ISQHAAVKKKVVTF-UHFFFAOYSA-N -1 3 330.388 3.567 20 0 EHADHM Fc1ccc(OCCCSc2ccccc2-c2nn[n-]n2)cc1 ZINC000737656111 599110975 /nfs/dbraw/zinc/11/09/75/599110975.db2.gz ISQHAAVKKKVVTF-UHFFFAOYSA-N -1 3 330.388 3.567 20 0 EHADHM C[C@H](CCSc1ccccc1)Sc1ccc(-c2nnn[n-]2)cn1 ZINC000820248109 607258662 /nfs/dbraw/zinc/25/86/62/607258662.db2.gz COYBVGPYAQGGBQ-GFCCVEGCSA-N -1 3 343.481 3.925 20 0 EHADHM C[C@H](CCSc1ccccc1)Sc1ccc(-c2nn[n-]n2)cn1 ZINC000820248109 607258663 /nfs/dbraw/zinc/25/86/63/607258663.db2.gz COYBVGPYAQGGBQ-GFCCVEGCSA-N -1 3 343.481 3.925 20 0 EHADHM C[C@@H](SCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@H](C)O ZINC000820468611 599130019 /nfs/dbraw/zinc/13/00/19/599130019.db2.gz VJZBRRKNUPYTPC-QWHCGFSZSA-N -1 3 340.452 3.536 20 0 EHADHM C[C@@H](SCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)[C@H](C)O ZINC000820468611 599130022 /nfs/dbraw/zinc/13/00/22/599130022.db2.gz VJZBRRKNUPYTPC-QWHCGFSZSA-N -1 3 340.452 3.536 20 0 EHADHM O=C(CC1CCC1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822940881 599154582 /nfs/dbraw/zinc/15/45/82/599154582.db2.gz IMXOGMIJJDOAAI-UHFFFAOYSA-N -1 3 349.394 3.788 20 0 EHADHM O=C(CC1CCC1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822940881 599154585 /nfs/dbraw/zinc/15/45/85/599154585.db2.gz IMXOGMIJJDOAAI-UHFFFAOYSA-N -1 3 349.394 3.788 20 0 EHADHM FC(F)(F)c1cc(N2CCC[C@@H]2c2ccco2)ccc1-c1nnn[n-]1 ZINC000737631569 599169733 /nfs/dbraw/zinc/16/97/33/599169733.db2.gz GOMUJCSIRPPINQ-CYBMUJFWSA-N -1 3 349.316 3.820 20 0 EHADHM FC(F)(F)c1cc(N2CCC[C@@H]2c2ccco2)ccc1-c1nn[n-]n1 ZINC000737631569 599169734 /nfs/dbraw/zinc/16/97/34/599169734.db2.gz GOMUJCSIRPPINQ-CYBMUJFWSA-N -1 3 349.316 3.820 20 0 EHADHM c1csc([C@@H]2CCCN2c2c(-c3nnn[n-]3)cnc3ccccc32)c1 ZINC000738451076 599258227 /nfs/dbraw/zinc/25/82/27/599258227.db2.gz BNMRTFRPBKBCFI-HNNXBMFYSA-N -1 3 348.435 3.818 20 0 EHADHM c1csc([C@@H]2CCCN2c2c(-c3nn[n-]n3)cnc3ccccc32)c1 ZINC000738451076 599258229 /nfs/dbraw/zinc/25/82/29/599258229.db2.gz BNMRTFRPBKBCFI-HNNXBMFYSA-N -1 3 348.435 3.818 20 0 EHADHM CC[C@H](C)[C@H]1CCCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820863870 607289551 /nfs/dbraw/zinc/28/95/51/607289551.db2.gz VLJKFSNGARCWBH-BLLLJJGKSA-N -1 3 342.447 3.608 20 0 EHADHM CC[C@H](C)[C@H]1CCCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820863870 607289552 /nfs/dbraw/zinc/28/95/52/607289552.db2.gz VLJKFSNGARCWBH-BLLLJJGKSA-N -1 3 342.447 3.608 20 0 EHADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1ccc(OC(F)F)cc1 ZINC000737222257 599283661 /nfs/dbraw/zinc/28/36/61/599283661.db2.gz VQZLNBDFNUIZCZ-UHFFFAOYSA-N -1 3 346.337 3.664 20 0 EHADHM Cc1nc2ccccc2nc1S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737490888 599290352 /nfs/dbraw/zinc/29/03/52/599290352.db2.gz YXCMQXBBTQECQL-LBPRGKRZSA-N -1 3 348.435 3.972 20 0 EHADHM Cc1nc2ccccc2nc1S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737490888 599290354 /nfs/dbraw/zinc/29/03/54/599290354.db2.gz YXCMQXBBTQECQL-LBPRGKRZSA-N -1 3 348.435 3.972 20 0 EHADHM COc1cccc(CNc2ccc(C(F)(F)F)c(-c3nnn[n-]3)c2)c1 ZINC000821868478 607344911 /nfs/dbraw/zinc/34/49/11/607344911.db2.gz RJLVVXDHPOSQJB-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM COc1cccc(CNc2ccc(C(F)(F)F)c(-c3nn[n-]n3)c2)c1 ZINC000821868478 607344913 /nfs/dbraw/zinc/34/49/13/607344913.db2.gz RJLVVXDHPOSQJB-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM CCn1c(C)cc2c1CCC[C@@H]2Nc1cccc(F)c1-c1nnn[n-]1 ZINC000736720824 598243820 /nfs/dbraw/zinc/24/38/20/598243820.db2.gz XREGRDGCVJPTEQ-AWEZNQCLSA-N -1 3 340.406 3.625 20 0 EHADHM CCn1c(C)cc2c1CCC[C@@H]2Nc1cccc(F)c1-c1nn[n-]n1 ZINC000736720824 598243821 /nfs/dbraw/zinc/24/38/21/598243821.db2.gz XREGRDGCVJPTEQ-AWEZNQCLSA-N -1 3 340.406 3.625 20 0 EHADHM CCc1cccc2c1OCC[C@H]2Nc1cccc(F)c1-c1nnn[n-]1 ZINC000736695027 598248169 /nfs/dbraw/zinc/24/81/69/598248169.db2.gz GOZCVONGLKPZTE-CQSZACIVSA-N -1 3 339.374 3.504 20 0 EHADHM CCc1cccc2c1OCC[C@H]2Nc1cccc(F)c1-c1nn[n-]n1 ZINC000736695027 598248170 /nfs/dbraw/zinc/24/81/70/598248170.db2.gz GOZCVONGLKPZTE-CQSZACIVSA-N -1 3 339.374 3.504 20 0 EHADHM Fc1ccccc1CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737669152 598274986 /nfs/dbraw/zinc/27/49/86/598274986.db2.gz LDFCUQLDAKCBLW-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Fc1ccccc1CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737669152 598274987 /nfs/dbraw/zinc/27/49/87/598274987.db2.gz LDFCUQLDAKCBLW-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Cc1ccccc1N(C(=O)C=Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC000737428982 598298002 /nfs/dbraw/zinc/29/80/02/598298002.db2.gz ZXQFYZYFJQYTHS-SEYXRHQNSA-N -1 3 347.422 3.630 20 0 EHADHM Cc1ccccc1N(C(=O)C=Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC000737428982 598298004 /nfs/dbraw/zinc/29/80/04/598298004.db2.gz ZXQFYZYFJQYTHS-SEYXRHQNSA-N -1 3 347.422 3.630 20 0 EHADHM Cc1cc(C)cc([C@H](C)Nc2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000737252598 598426368 /nfs/dbraw/zinc/42/63/68/598426368.db2.gz KELJMTDZYOPYPE-NSHDSACASA-N -1 3 329.354 3.935 20 0 EHADHM Cc1cc(C)cc([C@H](C)Nc2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000737252598 598426370 /nfs/dbraw/zinc/42/63/70/598426370.db2.gz KELJMTDZYOPYPE-NSHDSACASA-N -1 3 329.354 3.935 20 0 EHADHM C[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)CC(C)(C)C ZINC000735975653 598489906 /nfs/dbraw/zinc/48/99/06/598489906.db2.gz NNTBVPYFJBXDRP-LBPRGKRZSA-N -1 3 346.479 3.824 20 0 EHADHM C[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)CC(C)(C)C ZINC000735975653 598489907 /nfs/dbraw/zinc/48/99/07/598489907.db2.gz NNTBVPYFJBXDRP-LBPRGKRZSA-N -1 3 346.479 3.824 20 0 EHADHM CC1(C)CCc2cc(C=Cc3ccc(-c4nnn[n-]4)cn3)ccc2O1 ZINC000736212136 598584481 /nfs/dbraw/zinc/58/44/81/598584481.db2.gz ZLTLDIOKPXCLJZ-UTCJRWHESA-N -1 3 333.395 3.536 20 0 EHADHM CC1(C)CCc2cc(C=Cc3ccc(-c4nn[n-]n4)cn3)ccc2O1 ZINC000736212136 598584483 /nfs/dbraw/zinc/58/44/83/598584483.db2.gz ZLTLDIOKPXCLJZ-UTCJRWHESA-N -1 3 333.395 3.536 20 0 EHADHM Fc1ccc(NCCOc2ccc3ccccc3c2)cc1-c1nnn[n-]1 ZINC000737656134 598602466 /nfs/dbraw/zinc/60/24/66/598602466.db2.gz JUDGDNXTDDBSFE-UHFFFAOYSA-N -1 3 349.369 3.650 20 0 EHADHM Fc1ccc(NCCOc2ccc3ccccc3c2)cc1-c1nn[n-]n1 ZINC000737656134 598602468 /nfs/dbraw/zinc/60/24/68/598602468.db2.gz JUDGDNXTDDBSFE-UHFFFAOYSA-N -1 3 349.369 3.650 20 0 EHADHM CCOc1ccc(CN(C)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000736644284 598636084 /nfs/dbraw/zinc/63/60/84/598636084.db2.gz WVKPTAVHEONYFQ-UHFFFAOYSA-N -1 3 343.818 3.555 20 0 EHADHM CCOc1ccc(CN(C)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000736644284 598636086 /nfs/dbraw/zinc/63/60/86/598636086.db2.gz WVKPTAVHEONYFQ-UHFFFAOYSA-N -1 3 343.818 3.555 20 0 EHADHM Clc1cc(NCCCOC2CCCCC2)ccc1-c1nnn[n-]1 ZINC000737567308 598637765 /nfs/dbraw/zinc/63/77/65/598637765.db2.gz ZVLLPDFQNJFJMM-UHFFFAOYSA-N -1 3 335.839 3.671 20 0 EHADHM Clc1cc(NCCCOC2CCCCC2)ccc1-c1nn[n-]n1 ZINC000737567308 598637767 /nfs/dbraw/zinc/63/77/67/598637767.db2.gz ZVLLPDFQNJFJMM-UHFFFAOYSA-N -1 3 335.839 3.671 20 0 EHADHM CC(C)[C@H](C)C(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000735701780 598803468 /nfs/dbraw/zinc/80/34/68/598803468.db2.gz MFPAQSYODVQOMR-NSHDSACASA-N -1 3 341.440 3.826 20 0 EHADHM CC(C)[C@H](C)C(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000735701780 598803470 /nfs/dbraw/zinc/80/34/70/598803470.db2.gz MFPAQSYODVQOMR-NSHDSACASA-N -1 3 341.440 3.826 20 0 EHADHM CC(C)[C@@H](C)C(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000735701062 598803652 /nfs/dbraw/zinc/80/36/52/598803652.db2.gz JPLNYYLTDRJLTQ-OAHLLOKOSA-N -1 3 349.438 3.692 20 0 EHADHM CC(C)[C@@H](C)C(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000735701062 598803653 /nfs/dbraw/zinc/80/36/53/598803653.db2.gz JPLNYYLTDRJLTQ-OAHLLOKOSA-N -1 3 349.438 3.692 20 0 EHADHM CC(C)(C)[C@H]1OCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735597667 599304692 /nfs/dbraw/zinc/30/46/92/599304692.db2.gz RRJTUBGRIKXTRW-ABAIWWIYSA-N -1 3 349.866 3.773 20 0 EHADHM CC(C)(C)[C@H]1OCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735597667 599304695 /nfs/dbraw/zinc/30/46/95/599304695.db2.gz RRJTUBGRIKXTRW-ABAIWWIYSA-N -1 3 349.866 3.773 20 0 EHADHM c1ccc2c(c1)cccc2NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000738417770 599324579 /nfs/dbraw/zinc/32/45/79/599324579.db2.gz BNFFKBRNCIMEHY-UHFFFAOYSA-N -1 3 331.379 3.511 20 0 EHADHM c1ccc2c(c1)cccc2NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000738417770 599324581 /nfs/dbraw/zinc/32/45/81/599324581.db2.gz BNFFKBRNCIMEHY-UHFFFAOYSA-N -1 3 331.379 3.511 20 0 EHADHM CCCCc1nc(CNc2cc(-c3nnn[n-]3)ccc2C)cs1 ZINC000736467232 599327418 /nfs/dbraw/zinc/32/74/18/599327418.db2.gz ZBCPVANOYGDCJQ-UHFFFAOYSA-N -1 3 328.445 3.586 20 0 EHADHM CCCCc1nc(CNc2cc(-c3nn[n-]n3)ccc2C)cs1 ZINC000736467232 599327421 /nfs/dbraw/zinc/32/74/21/599327421.db2.gz ZBCPVANOYGDCJQ-UHFFFAOYSA-N -1 3 328.445 3.586 20 0 EHADHM FC(F)Oc1ccccc1CSc1ccccc1-c1nnn[n-]1 ZINC000822737419 599345373 /nfs/dbraw/zinc/34/53/73/599345373.db2.gz UWKBMCHMJBUJLL-UHFFFAOYSA-N -1 3 334.351 3.760 20 0 EHADHM FC(F)Oc1ccccc1CSc1ccccc1-c1nn[n-]n1 ZINC000822737419 599345376 /nfs/dbraw/zinc/34/53/76/599345376.db2.gz UWKBMCHMJBUJLL-UHFFFAOYSA-N -1 3 334.351 3.760 20 0 EHADHM COc1ccccc1[C@H](C)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737142301 599395042 /nfs/dbraw/zinc/39/50/42/599395042.db2.gz MQUAWXZTLREZLG-LBPRGKRZSA-N -1 3 346.394 3.597 20 0 EHADHM COc1ccccc1[C@H](C)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737142301 599395047 /nfs/dbraw/zinc/39/50/47/599395047.db2.gz MQUAWXZTLREZLG-LBPRGKRZSA-N -1 3 346.394 3.597 20 0 EHADHM C[C@H](Nc1cc(Cl)ccc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000736138557 599413348 /nfs/dbraw/zinc/41/33/48/599413348.db2.gz NFTIEXBRWWVTEI-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@H](Nc1cc(Cl)ccc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000736138557 599413351 /nfs/dbraw/zinc/41/33/51/599413351.db2.gz NFTIEXBRWWVTEI-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccc(F)cc1 ZINC000736025526 599415452 /nfs/dbraw/zinc/41/54/52/599415452.db2.gz IAZGSEIASLQWRU-LBPRGKRZSA-N -1 3 348.385 3.770 20 0 EHADHM C[C@@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccc(F)cc1 ZINC000736025526 599415454 /nfs/dbraw/zinc/41/54/54/599415454.db2.gz IAZGSEIASLQWRU-LBPRGKRZSA-N -1 3 348.385 3.770 20 0 EHADHM Fc1ccc(N[C@@H]2CCSc3c(F)cccc32)c(-c2nnn[n-]2)c1 ZINC000822778300 599472819 /nfs/dbraw/zinc/47/28/19/599472819.db2.gz HHYUTUDNTBRISB-CQSZACIVSA-N -1 3 345.378 3.794 20 0 EHADHM Fc1ccc(N[C@@H]2CCSc3c(F)cccc32)c(-c2nn[n-]n2)c1 ZINC000822778300 599472820 /nfs/dbraw/zinc/47/28/20/599472820.db2.gz HHYUTUDNTBRISB-CQSZACIVSA-N -1 3 345.378 3.794 20 0 EHADHM CCC[C@H](C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000821008799 599503041 /nfs/dbraw/zinc/50/30/41/599503041.db2.gz LONZHFJLZWTPLE-KSSFIOAISA-N -1 3 349.438 3.628 20 0 EHADHM CCC[C@H](C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000821008799 599503044 /nfs/dbraw/zinc/50/30/44/599503044.db2.gz LONZHFJLZWTPLE-KSSFIOAISA-N -1 3 349.438 3.628 20 0 EHADHM CCCCCC[C@H](C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821048391 599509573 /nfs/dbraw/zinc/50/95/73/599509573.db2.gz CAPGPNLWBFDQST-KBPBESRZSA-N -1 3 329.448 3.650 20 0 EHADHM CCCCCC[C@H](C)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821048391 599509574 /nfs/dbraw/zinc/50/95/74/599509574.db2.gz CAPGPNLWBFDQST-KBPBESRZSA-N -1 3 329.448 3.650 20 0 EHADHM COc1ccc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cc1 ZINC000737095662 599518634 /nfs/dbraw/zinc/51/86/34/599518634.db2.gz MNUPUWXLFIISIG-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM CC[C@H](CC1CCCC1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820903410 599527020 /nfs/dbraw/zinc/52/70/20/599527020.db2.gz UCRRQFYPCMMNFO-UKRRQHHQSA-N -1 3 341.459 3.650 20 0 EHADHM CC[C@H](CC1CCCC1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820903410 599527023 /nfs/dbraw/zinc/52/70/23/599527023.db2.gz UCRRQFYPCMMNFO-UKRRQHHQSA-N -1 3 341.459 3.650 20 0 EHADHM C[C@@H](CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000820321686 599532943 /nfs/dbraw/zinc/53/29/43/599532943.db2.gz KWZGDICWNFKTIY-KBPBESRZSA-N -1 3 341.459 3.650 20 0 EHADHM C[C@@H](CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000820321686 599532946 /nfs/dbraw/zinc/53/29/46/599532946.db2.gz KWZGDICWNFKTIY-KBPBESRZSA-N -1 3 341.459 3.650 20 0 EHADHM Cc1ccccc1[C@H]1C[C@H](C)N(c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000822351208 599565121 /nfs/dbraw/zinc/56/51/21/599565121.db2.gz LTZGGMHDYOEFMM-KBPBESRZSA-N -1 3 337.402 3.697 20 0 EHADHM Cc1ccccc1[C@H]1C[C@H](C)N(c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000822351208 599565122 /nfs/dbraw/zinc/56/51/22/599565122.db2.gz LTZGGMHDYOEFMM-KBPBESRZSA-N -1 3 337.402 3.697 20 0 EHADHM COc1ccc([C@H](C)CCNc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000821778030 599588659 /nfs/dbraw/zinc/58/86/59/599588659.db2.gz SAHYHKCAYRHVGI-GFCCVEGCSA-N -1 3 341.390 3.620 20 0 EHADHM COc1ccc([C@H](C)CCNc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000821778030 599588661 /nfs/dbraw/zinc/58/86/61/599588661.db2.gz SAHYHKCAYRHVGI-GFCCVEGCSA-N -1 3 341.390 3.620 20 0 EHADHM O=C([O-])c1coc(CN2CCC[C@H]2COc2ccc(Cl)cc2)c1 ZINC000740271014 599847575 /nfs/dbraw/zinc/84/75/75/599847575.db2.gz YYSAUVBOFLWDAE-AWEZNQCLSA-N -1 3 335.787 3.675 20 0 EHADHM COc1ccc([C@H](C)N[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1F ZINC000737947436 600419463 /nfs/dbraw/zinc/41/94/63/600419463.db2.gz IELVHJBAQGUZHA-QFYYESIMSA-N -1 3 337.778 3.964 20 0 EHADHM O=C([O-])[C@H](NCc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 ZINC000739500582 600420050 /nfs/dbraw/zinc/42/00/50/600420050.db2.gz PLEOHUNCQBOFGN-CQSZACIVSA-N -1 3 343.276 3.640 20 0 EHADHM Cc1cc(CN2CCC[C@H]2c2cccc(N(C)C)c2)oc1C(=O)[O-] ZINC000738383942 600564607 /nfs/dbraw/zinc/56/46/07/600564607.db2.gz ZLYCLDVYYVFADC-KRWDZBQOSA-N -1 3 328.412 3.689 20 0 EHADHM Fc1cc(C=Cc2ccc(-c3nnn[n-]3)cn2)cc(C(F)(F)F)c1 ZINC000822748365 607458201 /nfs/dbraw/zinc/45/82/01/607458201.db2.gz WAGKFJQKPZKWAP-IWQZZHSRSA-N -1 3 335.264 3.590 20 0 EHADHM Fc1cc(C=Cc2ccc(-c3nn[n-]n3)cn2)cc(C(F)(F)F)c1 ZINC000822748365 607458203 /nfs/dbraw/zinc/45/82/03/607458203.db2.gz WAGKFJQKPZKWAP-IWQZZHSRSA-N -1 3 335.264 3.590 20 0 EHADHM CO[C@H](CN[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl)C(C)(C)C ZINC000831519416 600694987 /nfs/dbraw/zinc/69/49/87/600694987.db2.gz NXAHEWQNBBZRFD-OLZOCXBDSA-N -1 3 334.243 3.770 20 0 EHADHM Cc1noc(C)c1CCN[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833019632 600748230 /nfs/dbraw/zinc/74/82/30/600748230.db2.gz AQEZLZJHAIVAOQ-AWEZNQCLSA-N -1 3 343.210 3.556 20 0 EHADHM CC(C)c1csc([C@H]2CCCN(Cc3ccc(C(=O)[O-])o3)C2)n1 ZINC000572653592 600972645 /nfs/dbraw/zinc/97/26/45/600972645.db2.gz OBHHNMJYLDABTG-LBPRGKRZSA-N -1 3 334.441 3.937 20 0 EHADHM CCn1c(C)cc2c1CCC[C@H]2N[C@H](C(=O)[O-])c1ccccc1F ZINC000830412651 600994426 /nfs/dbraw/zinc/99/44/26/600994426.db2.gz XLIDKUYYAORBCA-AEFFLSMTSA-N -1 3 330.403 3.748 20 0 EHADHM C[C@@H](C(=O)[O-])[C@H](NCc1cc(Cl)nc(Cl)c1)c1ccccc1 ZINC000826054859 601203716 /nfs/dbraw/zinc/20/37/16/601203716.db2.gz RMLCISHCYRSMHS-BMIGLBTASA-N -1 3 339.222 3.940 20 0 EHADHM COc1ccc(Cl)cc1CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832367430 601206394 /nfs/dbraw/zinc/20/63/94/601206394.db2.gz DELRXVJNRTXXLJ-YVEFUNNKSA-N -1 3 333.815 3.900 20 0 EHADHM O=C([O-])CC1(NCc2nnc(-c3ccc(Cl)cc3)o2)CCCCC1 ZINC000833205875 601554379 /nfs/dbraw/zinc/55/43/79/601554379.db2.gz QCKNAZURACTKTA-UHFFFAOYSA-N -1 3 349.818 3.657 20 0 EHADHM CCc1csc([C@@H]2CCCN(Cc3ccc(C(=O)[O-])c(F)c3)C2)n1 ZINC000565249269 601625036 /nfs/dbraw/zinc/62/50/36/601625036.db2.gz DLIKEVGAMICTSX-CYBMUJFWSA-N -1 3 348.443 3.922 20 0 EHADHM O=C([O-])CC1(NCc2ncc(-c3cccc(F)c3)o2)CCCCC1 ZINC000833205976 601882865 /nfs/dbraw/zinc/88/28/65/601882865.db2.gz SOVDPKNHKANMBO-UHFFFAOYSA-N -1 3 332.375 3.748 20 0 EHADHM O=C([O-])c1ccc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)s1 ZINC000567116597 601937830 /nfs/dbraw/zinc/93/78/30/601937830.db2.gz DAAHSVNNHXBIPF-AWEZNQCLSA-N -1 3 345.420 3.555 20 0 EHADHM Cc1ccc(-c2nc(CNCC3CCN(C(=O)[O-])CC3)cs2)cc1 ZINC000740092620 602875130 /nfs/dbraw/zinc/87/51/30/602875130.db2.gz NRAFSGBFSPKQEL-UHFFFAOYSA-N -1 3 345.468 3.598 20 0 EHADHM C[C@@H](NC[C@@H]1CCCN(C(=O)[O-])C1)c1nc(-c2ccccc2)cs1 ZINC000739032938 603275325 /nfs/dbraw/zinc/27/53/25/603275325.db2.gz GAQVJQWJKRYJBQ-KGLIPLIRSA-N -1 3 345.468 3.851 20 0 EHADHM COc1ccc2cc(CNCc3ccc(NC(=O)[O-])nc3)ccc2c1 ZINC000829526718 603533098 /nfs/dbraw/zinc/53/30/98/603533098.db2.gz MXYHAQOXJQKODG-UHFFFAOYSA-N -1 3 337.379 3.623 20 0 EHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000826250246 607644618 /nfs/dbraw/zinc/64/46/18/607644618.db2.gz RCPVZQGERJAEKP-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000826250246 607644620 /nfs/dbraw/zinc/64/46/20/607644620.db2.gz RCPVZQGERJAEKP-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM CCOc1ccc(Cl)cc1[C@@H](C)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000830080265 604287918 /nfs/dbraw/zinc/28/79/18/604287918.db2.gz HKIRAAQKVMCMLN-YPMHNXCESA-N -1 3 326.824 3.532 20 0 EHADHM C[C@H](Oc1ccc(CN2CCC[C@@H]2c2ccsc2)cc1)C(=O)[O-] ZINC000833538516 604534841 /nfs/dbraw/zinc/53/48/41/604534841.db2.gz DBXXNFOTBKLYPT-SUMWQHHRSA-N -1 3 331.437 3.937 20 0 EHADHM O=C([O-])[C@H]1CC12CCN(Cc1ccccc1OC1CCCC1)CC2 ZINC000833771403 604648404 /nfs/dbraw/zinc/64/84/04/604648404.db2.gz DNAVMDJCJPRVBJ-QGZVFWFLSA-N -1 3 329.440 3.695 20 0 EHADHM Cc1cc(Cl)c2c(c1)[C@@H](N[C@@H]1CCCN(C(=O)[O-])C1)CCCO2 ZINC000832885926 604772523 /nfs/dbraw/zinc/77/25/23/604772523.db2.gz RFNGYBFLYXNMNK-DOMZBBRYSA-N -1 3 338.835 3.594 20 0 EHADHM C[C@@]1(NCc2coc(-c3ccc(F)cc3)n2)CCCC[C@H]1C(=O)[O-] ZINC000833568962 604813652 /nfs/dbraw/zinc/81/36/52/604813652.db2.gz JHLZPILYPSCJCZ-MAUKXSAKSA-N -1 3 332.375 3.604 20 0 EHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(OCc2ccccc2F)CC1 ZINC000833545928 605058266 /nfs/dbraw/zinc/05/82/66/605058266.db2.gz CGUTTYYFYDKEPJ-CYBMUJFWSA-N -1 3 347.386 3.859 20 0 EHADHM Cc1nc(C)c([C@@H](C)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)s1 ZINC000830716737 605119759 /nfs/dbraw/zinc/11/97/59/605119759.db2.gz XERUDZJHPUDVRJ-GHMZBOCLSA-N -1 3 333.457 3.939 20 0 EHADHM CC1(C)CN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)CCS1 ZINC000833559713 605266746 /nfs/dbraw/zinc/26/67/46/605266746.db2.gz FMEQYZVMDSEZEK-LBPRGKRZSA-N -1 3 333.375 3.659 20 0 EHADHM c1csc([C@H]2CCCN2c2nc3ccccc3cc2-c2nnn[n-]2)c1 ZINC000823816766 606028349 /nfs/dbraw/zinc/02/83/49/606028349.db2.gz XLPZRKFMQBGYRO-OAHLLOKOSA-N -1 3 348.435 3.818 20 0 EHADHM c1csc([C@H]2CCCN2c2nc3ccccc3cc2-c2nn[n-]n2)c1 ZINC000823816766 606028353 /nfs/dbraw/zinc/02/83/53/606028353.db2.gz XLPZRKFMQBGYRO-OAHLLOKOSA-N -1 3 348.435 3.818 20 0 EHADHM C[C@@H](N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ncc(C(C)(C)C)o1 ZINC000820413432 606173462 /nfs/dbraw/zinc/17/34/62/606173462.db2.gz PVONXBZBMUQJTA-VXGBXAGGSA-N -1 3 340.431 3.564 20 0 EHADHM C[C@@H](N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ncc(C(C)(C)C)o1 ZINC000820413432 606173464 /nfs/dbraw/zinc/17/34/64/606173464.db2.gz PVONXBZBMUQJTA-VXGBXAGGSA-N -1 3 340.431 3.564 20 0 EHADHM Cc1cc(OC(C)C)ccc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000822210591 606213186 /nfs/dbraw/zinc/21/31/86/606213186.db2.gz JGVMUZVQKNGYBK-UHFFFAOYSA-N -1 3 329.429 3.636 20 0 EHADHM Cc1cc(OC(C)C)ccc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000822210591 606213188 /nfs/dbraw/zinc/21/31/88/606213188.db2.gz JGVMUZVQKNGYBK-UHFFFAOYSA-N -1 3 329.429 3.636 20 0 EHADHM CC(C)CCOc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000820076919 606223787 /nfs/dbraw/zinc/22/37/87/606223787.db2.gz WJOYHBQNASKCMU-UHFFFAOYSA-N -1 3 343.456 3.965 20 0 EHADHM CC(C)CCOc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000820076919 606223790 /nfs/dbraw/zinc/22/37/90/606223790.db2.gz WJOYHBQNASKCMU-UHFFFAOYSA-N -1 3 343.456 3.965 20 0 EHADHM C[C@H](Cc1ccc2ccccc2n1)Sc1cc(-c2nnn[n-]2)ccn1 ZINC000820301442 606332352 /nfs/dbraw/zinc/33/23/52/606332352.db2.gz YPZCVZVLESHCOT-GFCCVEGCSA-N -1 3 348.435 3.533 20 0 EHADHM C[C@H](Cc1ccc2ccccc2n1)Sc1cc(-c2nn[n-]n2)ccn1 ZINC000820301442 606332354 /nfs/dbraw/zinc/33/23/54/606332354.db2.gz YPZCVZVLESHCOT-GFCCVEGCSA-N -1 3 348.435 3.533 20 0 EHADHM ClC(=Cc1ccc(-c2nnn[n-]2)s1)c1nc2ccccc2o1 ZINC000822563174 606389507 /nfs/dbraw/zinc/38/95/07/606389507.db2.gz GAZUJCNGAIQIGH-CLFYSBASSA-N -1 3 329.772 3.806 20 0 EHADHM CCCC[C@@H](CCC)NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000821042525 606392458 /nfs/dbraw/zinc/39/24/58/606392458.db2.gz DFXFTBIZFVJXDV-GFCCVEGCSA-N -1 3 332.477 3.512 20 0 EHADHM CCCC[C@@H](CCC)NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000821042525 606392460 /nfs/dbraw/zinc/39/24/60/606392460.db2.gz DFXFTBIZFVJXDV-GFCCVEGCSA-N -1 3 332.477 3.512 20 0 EHADHM CCOc1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)cc1Cl ZINC000821421661 606448283 /nfs/dbraw/zinc/44/82/83/606448283.db2.gz BUOLGQANSDQFBH-UHFFFAOYSA-N -1 3 347.781 3.670 20 0 EHADHM CCOc1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)cc1Cl ZINC000821421661 606448285 /nfs/dbraw/zinc/44/82/85/606448285.db2.gz BUOLGQANSDQFBH-UHFFFAOYSA-N -1 3 347.781 3.670 20 0 EHADHM CSc1ccc(Cl)cc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000821983783 606450988 /nfs/dbraw/zinc/45/09/88/606450988.db2.gz JGPGDLZMESKAOU-UHFFFAOYSA-N -1 3 331.832 3.854 20 0 EHADHM CSc1ccc(Cl)cc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000821983783 606450991 /nfs/dbraw/zinc/45/09/91/606450991.db2.gz JGPGDLZMESKAOU-UHFFFAOYSA-N -1 3 331.832 3.854 20 0 EHADHM CC(=O)c1c(C)cc(C)c(CNc2cccc(-c3nnn[n-]3)c2)c1C ZINC000819832845 606659830 /nfs/dbraw/zinc/65/98/30/606659830.db2.gz BPDPQFUDGIKYET-UHFFFAOYSA-N -1 3 335.411 3.607 20 0 EHADHM CC(=O)c1c(C)cc(C)c(CNc2cccc(-c3nn[n-]n3)c2)c1C ZINC000819832845 606659831 /nfs/dbraw/zinc/65/98/31/606659831.db2.gz BPDPQFUDGIKYET-UHFFFAOYSA-N -1 3 335.411 3.607 20 0 EHADHM O=C(C=C1CCC1)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000822917105 606671373 /nfs/dbraw/zinc/67/13/73/606671373.db2.gz NPDZOYUUXDGJOG-UHFFFAOYSA-N -1 3 345.406 3.510 20 0 EHADHM O=C(C=C1CCC1)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000822917105 606671374 /nfs/dbraw/zinc/67/13/74/606671374.db2.gz NPDZOYUUXDGJOG-UHFFFAOYSA-N -1 3 345.406 3.510 20 0 EHADHM CC(C)CC[C@H]1CCCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820073938 606722367 /nfs/dbraw/zinc/72/23/67/606722367.db2.gz XKKAYXCVJBLHNX-MRXNPFEDSA-N -1 3 342.447 3.689 20 0 EHADHM CC(C)CC[C@H]1CCCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820073938 606722369 /nfs/dbraw/zinc/72/23/69/606722369.db2.gz XKKAYXCVJBLHNX-MRXNPFEDSA-N -1 3 342.447 3.689 20 0 EHADHM CC(C)(C)c1cnc(SCc2ccc(F)cc2-c2nnn[n-]2)o1 ZINC000819966059 606785887 /nfs/dbraw/zinc/78/58/87/606785887.db2.gz UTMZBJFAXBVWOE-UHFFFAOYSA-N -1 3 333.392 3.584 20 0 EHADHM CC(C)(C)c1cnc(SCc2ccc(F)cc2-c2nn[n-]n2)o1 ZINC000819966059 606785889 /nfs/dbraw/zinc/78/58/89/606785889.db2.gz UTMZBJFAXBVWOE-UHFFFAOYSA-N -1 3 333.392 3.584 20 0 EHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)c1nc(C2CC2)no1 ZINC000820548717 606850818 /nfs/dbraw/zinc/85/08/18/606850818.db2.gz FUGFFXOBBRRXRC-SSDOTTSWSA-N -1 3 348.819 3.634 20 0 EHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)c1nc(C2CC2)no1 ZINC000820548717 606850820 /nfs/dbraw/zinc/85/08/20/606850820.db2.gz FUGFFXOBBRRXRC-SSDOTTSWSA-N -1 3 348.819 3.634 20 0 EHADHM Cc1ccccc1C(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822345944 606851729 /nfs/dbraw/zinc/85/17/29/606851729.db2.gz XCVOQTKNIAAVJC-UHFFFAOYSA-N -1 3 344.827 3.804 20 0 EHADHM Cc1ccccc1C(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822345944 606851730 /nfs/dbraw/zinc/85/17/30/606851730.db2.gz XCVOQTKNIAAVJC-UHFFFAOYSA-N -1 3 344.827 3.804 20 0 EHADHM C[C@@H]1CCCC[C@@H]1CC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820698214 606964179 /nfs/dbraw/zinc/96/41/79/606964179.db2.gz RFTKHTMRUKGJNQ-VXGBXAGGSA-N -1 3 347.850 3.699 20 0 EHADHM C[C@@H]1CCCC[C@@H]1CC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820698214 606964181 /nfs/dbraw/zinc/96/41/81/606964181.db2.gz RFTKHTMRUKGJNQ-VXGBXAGGSA-N -1 3 347.850 3.699 20 0 EHADHM CC(C)c1ccc(CCC(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1 ZINC000820192382 606969257 /nfs/dbraw/zinc/96/92/57/606969257.db2.gz LOYJPMCWKKJVEF-UHFFFAOYSA-N -1 3 349.438 3.586 20 0 EHADHM CC(C)c1ccc(CCC(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1 ZINC000820192382 606969259 /nfs/dbraw/zinc/96/92/59/606969259.db2.gz LOYJPMCWKKJVEF-UHFFFAOYSA-N -1 3 349.438 3.586 20 0 EHADHM CC=C(C=CC(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1)CC ZINC000820826498 607000677 /nfs/dbraw/zinc/00/06/77/607000677.db2.gz NBWIDBBGYOKTKS-RJUDUCFMSA-N -1 3 339.443 3.689 20 0 EHADHM CC=C(C=CC(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1)CC ZINC000820826498 607000679 /nfs/dbraw/zinc/00/06/79/607000679.db2.gz NBWIDBBGYOKTKS-RJUDUCFMSA-N -1 3 339.443 3.689 20 0 EHADHM CCOc1cc(Cl)ccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821394566 607032752 /nfs/dbraw/zinc/03/27/52/607032752.db2.gz LUBVPPPHZSFDKX-UHFFFAOYSA-N -1 3 347.781 3.670 20 0 EHADHM CCOc1cc(Cl)ccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821394566 607032753 /nfs/dbraw/zinc/03/27/53/607032753.db2.gz LUBVPPPHZSFDKX-UHFFFAOYSA-N -1 3 347.781 3.670 20 0 EHADHM Cc1ccc2oc(SCc3cc(F)ccc3-c3nnn[n-]3)nc2c1 ZINC000822283786 607040006 /nfs/dbraw/zinc/04/00/06/607040006.db2.gz CRLVTNPJVIUFOM-UHFFFAOYSA-N -1 3 341.371 3.748 20 0 EHADHM Cc1ccc2oc(SCc3cc(F)ccc3-c3nn[n-]n3)nc2c1 ZINC000822283786 607040007 /nfs/dbraw/zinc/04/00/07/607040007.db2.gz CRLVTNPJVIUFOM-UHFFFAOYSA-N -1 3 341.371 3.748 20 0 EHADHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c(Cl)cc1F ZINC000822177383 607124470 /nfs/dbraw/zinc/12/44/70/607124470.db2.gz YJERDFFTNOPTFF-UHFFFAOYSA-N -1 3 345.765 3.528 20 0 EHADHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c(Cl)cc1F ZINC000822177383 607124471 /nfs/dbraw/zinc/12/44/71/607124471.db2.gz YJERDFFTNOPTFF-UHFFFAOYSA-N -1 3 345.765 3.528 20 0 EHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCCC(F)(F)C1 ZINC000822736745 607131225 /nfs/dbraw/zinc/13/12/25/607131225.db2.gz JRAHHLFTKMDUEG-SECBINFHSA-N -1 3 347.291 3.875 20 0 EHADHM C[C@H]1CCC[C@H](N(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820697573 607197318 /nfs/dbraw/zinc/19/73/18/607197318.db2.gz JDORHYVQQDYRPB-JQWIXIFHSA-N -1 3 348.838 3.563 20 0 EHADHM C[C@H]1CCC[C@H](N(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820697573 607197319 /nfs/dbraw/zinc/19/73/19/607197319.db2.gz JDORHYVQQDYRPB-JQWIXIFHSA-N -1 3 348.838 3.563 20 0 EHADHM Fc1ccc(CNc2cc(-c3nnn[n-]3)ccc2C(F)(F)F)cc1 ZINC000822772163 607227122 /nfs/dbraw/zinc/22/71/22/607227122.db2.gz ROLCUHOYMQFHQO-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Fc1ccc(CNc2cc(-c3nn[n-]n3)ccc2C(F)(F)F)cc1 ZINC000822772163 607227123 /nfs/dbraw/zinc/22/71/23/607227123.db2.gz ROLCUHOYMQFHQO-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM C[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)CC(C)(C)C ZINC000820225469 607242015 /nfs/dbraw/zinc/24/20/15/607242015.db2.gz JNGGJCGKKIVUQG-SNVBAGLBSA-N -1 3 335.839 3.921 20 0 EHADHM C[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)CC(C)(C)C ZINC000820225469 607242016 /nfs/dbraw/zinc/24/20/16/607242016.db2.gz JNGGJCGKKIVUQG-SNVBAGLBSA-N -1 3 335.839 3.921 20 0 EHADHM Cc1ccc(NC(=S)Nc2cccc(-c3nnn[n-]3)c2C)cc1C ZINC000822254100 607252064 /nfs/dbraw/zinc/25/20/64/607252064.db2.gz AHHLUDOTRIMHDF-UHFFFAOYSA-N -1 3 338.440 3.601 20 0 EHADHM Cc1ccc(NC(=S)Nc2cccc(-c3nn[n-]n3)c2C)cc1C ZINC000822254100 607252065 /nfs/dbraw/zinc/25/20/65/607252065.db2.gz AHHLUDOTRIMHDF-UHFFFAOYSA-N -1 3 338.440 3.601 20 0 EHADHM O=Cc1cc(Cl)c(OCc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000826483816 607973941 /nfs/dbraw/zinc/97/39/41/607973941.db2.gz AWZMDJGRCKKILB-UHFFFAOYSA-N -1 3 349.177 3.565 20 0 EHADHM O=Cc1cc(Cl)c(OCc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000826483816 607973942 /nfs/dbraw/zinc/97/39/42/607973942.db2.gz AWZMDJGRCKKILB-UHFFFAOYSA-N -1 3 349.177 3.565 20 0 EHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)C(CC)CC ZINC000825313763 608053998 /nfs/dbraw/zinc/05/39/98/608053998.db2.gz QKODOZLSACRZPR-AWEZNQCLSA-N -1 3 343.475 3.678 20 0 EHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](C)C(CC)CC ZINC000825313763 608053999 /nfs/dbraw/zinc/05/39/99/608053999.db2.gz QKODOZLSACRZPR-AWEZNQCLSA-N -1 3 343.475 3.678 20 0 EHADHM CC(C)(C)[C@@H]1C[C@@H](Nc2ccc(Cl)cc2-c2nnn[n-]2)CCO1 ZINC000824077427 608149379 /nfs/dbraw/zinc/14/93/79/608149379.db2.gz BEMRAORVCNCYJE-FZMZJTMJSA-N -1 3 335.839 3.526 20 0 EHADHM CC(C)(C)[C@@H]1C[C@@H](Nc2ccc(Cl)cc2-c2nn[n-]n2)CCO1 ZINC000824077427 608149380 /nfs/dbraw/zinc/14/93/80/608149380.db2.gz BEMRAORVCNCYJE-FZMZJTMJSA-N -1 3 335.839 3.526 20 0 EHADHM COc1ccc([C@@H](C)Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000826188618 608225487 /nfs/dbraw/zinc/22/54/87/608225487.db2.gz BOBAIUZBPWIMIH-GFCCVEGCSA-N -1 3 346.394 3.597 20 0 EHADHM COc1ccc([C@@H](C)Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000826188618 608225488 /nfs/dbraw/zinc/22/54/88/608225488.db2.gz BOBAIUZBPWIMIH-GFCCVEGCSA-N -1 3 346.394 3.597 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H](c2ccc(Cl)cc2)C2CC2)n1 ZINC000826275246 608270721 /nfs/dbraw/zinc/27/07/21/608270721.db2.gz UBZRSNDHVAOSQD-HNNXBMFYSA-N -1 3 340.818 3.787 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H](c2ccc(Cl)cc2)C2CC2)n1 ZINC000826275246 608270723 /nfs/dbraw/zinc/27/07/23/608270723.db2.gz UBZRSNDHVAOSQD-HNNXBMFYSA-N -1 3 340.818 3.787 20 0 EHADHM Fc1cccc(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000826377118 608295469 /nfs/dbraw/zinc/29/54/69/608295469.db2.gz FUMKVYJWSXMKMM-UHFFFAOYSA-N -1 3 346.369 3.680 20 0 EHADHM Fc1cccc(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000826377118 608295470 /nfs/dbraw/zinc/29/54/70/608295470.db2.gz FUMKVYJWSXMKMM-UHFFFAOYSA-N -1 3 346.369 3.680 20 0 EHADHM CCN(C(=O)CCC(C)(C)C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371557 608343517 /nfs/dbraw/zinc/34/35/17/608343517.db2.gz IJQSSPLNOWDJEP-UHFFFAOYSA-N -1 3 335.839 3.699 20 0 EHADHM CCN(C(=O)CCC(C)(C)C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371557 608343518 /nfs/dbraw/zinc/34/35/18/608343518.db2.gz IJQSSPLNOWDJEP-UHFFFAOYSA-N -1 3 335.839 3.699 20 0 EHADHM c1ccc(Oc2ccc(CNc3cnccc3-c3nnn[n-]3)cc2)cc1 ZINC000826522868 608780685 /nfs/dbraw/zinc/78/06/85/608780685.db2.gz RQTQOTDQYZNVOH-UHFFFAOYSA-N -1 3 344.378 3.666 20 0 EHADHM c1ccc(Oc2ccc(CNc3cnccc3-c3nn[n-]n3)cc2)cc1 ZINC000826522868 608780687 /nfs/dbraw/zinc/78/06/87/608780687.db2.gz RQTQOTDQYZNVOH-UHFFFAOYSA-N -1 3 344.378 3.666 20 0 EHADHM Fc1cc(-c2ccncc2)ccc1CNc1cccc(-c2nnn[n-]2)c1 ZINC000826371311 608869454 /nfs/dbraw/zinc/86/94/54/608869454.db2.gz BJJCBXFRELNBEL-UHFFFAOYSA-N -1 3 346.369 3.680 20 0 EHADHM Fc1cc(-c2ccncc2)ccc1CNc1cccc(-c2nn[n-]n2)c1 ZINC000826371311 608869455 /nfs/dbraw/zinc/86/94/55/608869455.db2.gz BJJCBXFRELNBEL-UHFFFAOYSA-N -1 3 346.369 3.680 20 0 EHADHM C[C@@H](Nc1ccccc1OCC1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662444 609238964 /nfs/dbraw/zinc/23/89/64/609238964.db2.gz KLQGAYAHVLGPHQ-CYBMUJFWSA-N -1 3 335.411 3.829 20 0 EHADHM C[C@@H](Nc1ccccc1OCC1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662444 609238965 /nfs/dbraw/zinc/23/89/65/609238965.db2.gz KLQGAYAHVLGPHQ-CYBMUJFWSA-N -1 3 335.411 3.829 20 0 EHADHM Clc1ccc2nc(NCc3ccc(-c4nnn[n-]4)s3)sc2c1 ZINC000826352907 609264797 /nfs/dbraw/zinc/26/47/97/609264797.db2.gz SGKUDHWAHMGYQD-UHFFFAOYSA-N -1 3 348.844 3.803 20 0 EHADHM COc1ccc(Cl)c(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826208417 609282001 /nfs/dbraw/zinc/28/20/01/609282001.db2.gz JJSOOODTCRIGEV-SECBINFHSA-N -1 3 347.781 3.841 20 0 EHADHM COc1ccc(Cl)c(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826208417 609282003 /nfs/dbraw/zinc/28/20/03/609282003.db2.gz JJSOOODTCRIGEV-SECBINFHSA-N -1 3 347.781 3.841 20 0 EHADHM CCCc1ccc(CSc2nnc(C)c(C)c2-c2nnn[n-]2)cc1 ZINC000825348479 609305256 /nfs/dbraw/zinc/30/52/56/609305256.db2.gz MQZNSBLEOXFZQN-UHFFFAOYSA-N -1 3 340.456 3.518 20 0 EHADHM CCCc1ccc(CSc2nnc(C)c(C)c2-c2nn[n-]n2)cc1 ZINC000825348479 609305258 /nfs/dbraw/zinc/30/52/58/609305258.db2.gz MQZNSBLEOXFZQN-UHFFFAOYSA-N -1 3 340.456 3.518 20 0 EHADHM CCc1cnccc1[C@H](C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825734235 609341376 /nfs/dbraw/zinc/34/13/76/609341376.db2.gz JZVLAOHCGFAVQL-NEPJUHHUSA-N -1 3 325.391 3.870 20 0 EHADHM CCc1cnccc1[C@H](C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825734235 609341377 /nfs/dbraw/zinc/34/13/77/609341377.db2.gz JZVLAOHCGFAVQL-NEPJUHHUSA-N -1 3 325.391 3.870 20 0 EHADHM CCc1cnccc1[C@@H](C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825734237 609341468 /nfs/dbraw/zinc/34/14/68/609341468.db2.gz JZVLAOHCGFAVQL-RYUDHWBXSA-N -1 3 325.391 3.870 20 0 EHADHM CCc1cnccc1[C@@H](C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825734237 609341471 /nfs/dbraw/zinc/34/14/71/609341471.db2.gz JZVLAOHCGFAVQL-RYUDHWBXSA-N -1 3 325.391 3.870 20 0 EHADHM CCOc1ccccc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825654312 609347739 /nfs/dbraw/zinc/34/77/39/609347739.db2.gz WRGSHXVPKQNQQL-LLVKDONJSA-N -1 3 327.363 3.578 20 0 EHADHM CCOc1ccccc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825654312 609347741 /nfs/dbraw/zinc/34/77/41/609347741.db2.gz WRGSHXVPKQNQQL-LLVKDONJSA-N -1 3 327.363 3.578 20 0 EHADHM Cc1c(Br)cccc1COc1ccc(-c2nn[n-]n2)cc1 ZINC000826234331 609382978 /nfs/dbraw/zinc/38/29/78/609382978.db2.gz QVWMDRCSIWIBFW-UHFFFAOYSA-N -1 3 345.200 3.517 20 0 EHADHM CC(C)c1cccc(C(C)C)c1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824347610 609441084 /nfs/dbraw/zinc/44/10/84/609441084.db2.gz HABBJCWOZJSXHH-UHFFFAOYSA-N -1 3 338.415 3.694 20 0 EHADHM CC(C)c1cccc(C(C)C)c1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824347610 609441086 /nfs/dbraw/zinc/44/10/86/609441086.db2.gz HABBJCWOZJSXHH-UHFFFAOYSA-N -1 3 338.415 3.694 20 0 EHADHM Cc1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)nn1[C@@H](C)C1CC1 ZINC000826270673 609508977 /nfs/dbraw/zinc/50/89/77/609508977.db2.gz KGRSEEKMSCMWRF-OLZOCXBDSA-N -1 3 337.431 3.516 20 0 EHADHM Cc1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)nn1[C@@H](C)C1CC1 ZINC000826270673 609508978 /nfs/dbraw/zinc/50/89/78/609508978.db2.gz KGRSEEKMSCMWRF-OLZOCXBDSA-N -1 3 337.431 3.516 20 0 EHADHM CC[C@@H](C)CCCCC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825060414 609509784 /nfs/dbraw/zinc/50/97/84/609509784.db2.gz QESZQDAVXLWYLL-CQSZACIVSA-N -1 3 341.459 3.579 20 0 EHADHM CC[C@@H](C)CCCCC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825060414 609509786 /nfs/dbraw/zinc/50/97/86/609509786.db2.gz QESZQDAVXLWYLL-CQSZACIVSA-N -1 3 341.459 3.579 20 0 EHADHM CC(C)CCCCCC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820073059 945343660 /nfs/dbraw/zinc/34/36/60/945343660.db2.gz PKWSQWOIDZZZIC-AWEZNQCLSA-N -1 3 329.448 3.650 20 0 EHADHM CC(C)CCCCCC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820073059 945343670 /nfs/dbraw/zinc/34/36/70/945343670.db2.gz PKWSQWOIDZZZIC-AWEZNQCLSA-N -1 3 329.448 3.650 20 0 EHADHM CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000428915393 944632804 /nfs/dbraw/zinc/63/28/04/944632804.db2.gz BCUVLOYSCCZVDE-AWEZNQCLSA-N -1 3 349.438 3.807 20 0 EHADHM CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000428915393 944632812 /nfs/dbraw/zinc/63/28/12/944632812.db2.gz BCUVLOYSCCZVDE-AWEZNQCLSA-N -1 3 349.438 3.807 20 0 EHADHM CCCCCN(C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000821056125 945625740 /nfs/dbraw/zinc/62/57/40/945625740.db2.gz LMGJZYZYUZBKMX-AWEZNQCLSA-N -1 3 344.463 3.538 20 0 EHADHM CCCCCN(C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000821056125 945625748 /nfs/dbraw/zinc/62/57/48/945625748.db2.gz LMGJZYZYUZBKMX-AWEZNQCLSA-N -1 3 344.463 3.538 20 0 EHADHM CC(C)(C)C(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824064432 946572240 /nfs/dbraw/zinc/57/22/40/946572240.db2.gz IBAQCUMENUDUBR-UHFFFAOYSA-N -1 3 344.362 3.593 20 0 EHADHM CC(C)(C)C(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824064432 946572245 /nfs/dbraw/zinc/57/22/45/946572245.db2.gz IBAQCUMENUDUBR-UHFFFAOYSA-N -1 3 344.362 3.593 20 0 EHADHM Brc1cccc(-c2nnn[n-]2)c1N[C@@H]1CC12CCCCC2 ZINC001573279724 946647979 /nfs/dbraw/zinc/64/79/79/946647979.db2.gz MPHYXSTVPWHNPL-GFCCVEGCSA-N -1 3 348.248 3.764 20 0 EHADHM Brc1cccc(-c2nn[n-]n2)c1N[C@@H]1CC12CCCCC2 ZINC001573279724 946647982 /nfs/dbraw/zinc/64/79/82/946647982.db2.gz MPHYXSTVPWHNPL-GFCCVEGCSA-N -1 3 348.248 3.764 20 0 EHADHM Brc1ccc(CSC2CCCC2)c(-c2nnn[n-]2)c1 ZINC001573280405 946660835 /nfs/dbraw/zinc/66/08/35/946660835.db2.gz VNXDCEZPMGKVEK-UHFFFAOYSA-N -1 3 339.262 3.805 20 0 EHADHM Brc1ccc(CSC2CCCC2)c(-c2nn[n-]n2)c1 ZINC001573280405 946660843 /nfs/dbraw/zinc/66/08/43/946660843.db2.gz VNXDCEZPMGKVEK-UHFFFAOYSA-N -1 3 339.262 3.805 20 0 EHADHM C[C@@H](N[C@H](CC(C)(C)C)C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000824533134 946772444 /nfs/dbraw/zinc/77/24/44/946772444.db2.gz ZDYMAASXQYRZEU-ZWNOBZJWSA-N -1 3 341.381 3.884 20 0 EHADHM C[C@@H](N[C@H](CC(C)(C)C)C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824533134 946772453 /nfs/dbraw/zinc/77/24/53/946772453.db2.gz ZDYMAASXQYRZEU-ZWNOBZJWSA-N -1 3 341.381 3.884 20 0 EHADHM CCC[C@@]1(C)CCCN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000825247670 947131073 /nfs/dbraw/zinc/13/10/73/947131073.db2.gz FYOLBZKTVJFENT-KRWDZBQOSA-N -1 3 347.850 3.563 20 0 EHADHM CCC[C@@]1(C)CCCN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000825247670 947131080 /nfs/dbraw/zinc/13/10/80/947131080.db2.gz FYOLBZKTVJFENT-KRWDZBQOSA-N -1 3 347.850 3.563 20 0 EHADHM CCc1ccc([C@@H](C)Nc2cc(C(C)=O)ccc2-c2nnn[n-]2)cc1 ZINC000825704161 947294052 /nfs/dbraw/zinc/29/40/52/947294052.db2.gz CSSPBDDGDXVSJP-GFCCVEGCSA-N -1 3 335.411 3.805 20 0 EHADHM CCc1ccc([C@@H](C)Nc2cc(C(C)=O)ccc2-c2nn[n-]n2)cc1 ZINC000825704161 947294067 /nfs/dbraw/zinc/29/40/67/947294067.db2.gz CSSPBDDGDXVSJP-GFCCVEGCSA-N -1 3 335.411 3.805 20 0 EHADHM Clc1ccc2nc(NCc3cccc(-c4nnn[n-]4)c3)sc2c1 ZINC000826352822 948102671 /nfs/dbraw/zinc/10/26/71/948102671.db2.gz PGYFZOOTHLYZKM-UHFFFAOYSA-N -1 3 342.815 3.742 20 0 EHADHM Clc1ccc2nc(NCc3cccc(-c4nn[n-]n4)c3)sc2c1 ZINC000826352822 948102674 /nfs/dbraw/zinc/10/26/74/948102674.db2.gz PGYFZOOTHLYZKM-UHFFFAOYSA-N -1 3 342.815 3.742 20 0 EHADHM Clc1cccc(SCc2cn3ccsc3n2)c1-c1nnn[n-]1 ZINC000826353678 948104701 /nfs/dbraw/zinc/10/47/01/948104701.db2.gz ZMXWVWFICIKNFW-UHFFFAOYSA-N -1 3 348.844 3.522 20 0 EHADHM Clc1cccc(SCc2cn3ccsc3n2)c1-c1nn[n-]n1 ZINC000826353678 948104704 /nfs/dbraw/zinc/10/47/04/948104704.db2.gz ZMXWVWFICIKNFW-UHFFFAOYSA-N -1 3 348.844 3.522 20 0 EHADHM O=C(CCCc1ccsc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826406692 948236441 /nfs/dbraw/zinc/23/64/41/948236441.db2.gz IQFFHOMTLUBMQP-UHFFFAOYSA-N -1 3 347.831 3.543 20 0 EHADHM O=C(CCCc1ccsc1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826406692 948236456 /nfs/dbraw/zinc/23/64/56/948236456.db2.gz IQFFHOMTLUBMQP-UHFFFAOYSA-N -1 3 347.831 3.543 20 0 EHADHM O=C(CCCc1ccc(C2CC2)cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC001290405382 948497856 /nfs/dbraw/zinc/49/78/56/948497856.db2.gz QYXQLKMYCHMPQR-UHFFFAOYSA-N -1 3 347.422 3.706 20 0 EHADHM O=C(CCCc1ccc(C2CC2)cc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC001290405382 948497860 /nfs/dbraw/zinc/49/78/60/948497860.db2.gz QYXQLKMYCHMPQR-UHFFFAOYSA-N -1 3 347.422 3.706 20 0 EHADHM C[C@@H]1CCCC[C@@H]1C(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001576168806 949649816 /nfs/dbraw/zinc/64/98/16/949649816.db2.gz GVCJIHISMPFWSX-MNOVXSKESA-N -1 3 347.488 3.991 20 0 EHADHM C[C@@H]1CCCC[C@@H]1C(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001576168806 949649823 /nfs/dbraw/zinc/64/98/23/949649823.db2.gz GVCJIHISMPFWSX-MNOVXSKESA-N -1 3 347.488 3.991 20 0 EHADHM Cc1ccc(Br)cc1CN1CCCC[C@H]1CC(=O)[O-] ZINC000313610581 950791947 /nfs/dbraw/zinc/79/19/47/950791947.db2.gz KRHOWHVACKHLQH-AWEZNQCLSA-N -1 3 326.234 3.587 20 0 EHADHM O=C([O-])CC[C@@H]1CCCN(Cc2ccc(OC(F)F)cc2F)C1 ZINC001595019323 951313964 /nfs/dbraw/zinc/31/39/64/951313964.db2.gz RXVIMRFTBWQKCC-NSHDSACASA-N -1 3 331.334 3.504 20 0 EHADHM C[C@@H](CNc1nc(C(C)(C)C)ccc1-c1nnn[n-]1)c1ccccc1 ZINC001575166717 952328483 /nfs/dbraw/zinc/32/84/83/952328483.db2.gz XQQDEXFANDFAOZ-ZDUSSCGKSA-N -1 3 336.443 3.775 20 0 EHADHM C[C@@H](CNc1nc(C(C)(C)C)ccc1-c1nn[n-]n1)c1ccccc1 ZINC001575166717 952328489 /nfs/dbraw/zinc/32/84/89/952328489.db2.gz XQQDEXFANDFAOZ-ZDUSSCGKSA-N -1 3 336.443 3.775 20 0 EHADHM C[C@@H]1[C@@H](Nc2ncc(C(=O)[O-])cc2Cl)CCN1Cc1ccccc1 ZINC000383497827 971872806 /nfs/dbraw/zinc/87/28/06/971872806.db2.gz XTRGDVKJJLXKRN-WBMJQRKESA-N -1 3 345.830 3.508 20 0 EHADHM CN(CCOc1cccc(Cl)c1)Cc1ccc(C(=O)[O-])s1 ZINC000580440854 953714946 /nfs/dbraw/zinc/71/49/46/953714946.db2.gz UOCSXUQMDBRMCT-UHFFFAOYSA-N -1 3 325.817 3.611 20 0 EHADHM Cc1cccc([C@@H]2CCCN2Cc2cc(=O)oc3cc([O-])ccc23)n1 ZINC000182473299 1032063349 /nfs/dbraw/zinc/06/33/49/1032063349.db2.gz PTGVQUAOLRYMRG-SFHVURJKSA-N -1 3 336.391 3.539 20 0 EHADHM COCCN(Cc1cccc(C(=O)[O-])c1)Cc1ccc(C)cc1C ZINC001594012726 957011402 /nfs/dbraw/zinc/01/14/02/957011402.db2.gz XWHOOJBGHZQLJZ-UHFFFAOYSA-N -1 3 327.424 3.650 20 0 EHADHM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(-n2cccn2)c(F)c1 ZINC001594240920 959532337 /nfs/dbraw/zinc/53/23/37/959532337.db2.gz MRIPHUJEYCBHQB-ZDUSSCGKSA-N -1 3 339.370 3.560 20 0 EHADHM CC[C@@H](C)N(CC(=O)[O-])Cc1c(C)nn(-c2ccccc2)c1Cl ZINC000236857697 960777877 /nfs/dbraw/zinc/77/78/77/960777877.db2.gz ZHEGLVWRZJVLPX-GFCCVEGCSA-N -1 3 335.835 3.519 20 0 EHADHM O=C([O-])c1cccc(CN2CC[C@H](Oc3ccc(Cl)cc3)C2)c1 ZINC000263440549 962620658 /nfs/dbraw/zinc/62/06/58/962620658.db2.gz WITSZTNRHPRALW-KRWDZBQOSA-N -1 3 331.799 3.692 20 0 EHADHM O=C([O-])c1cccc(NC[C@H](c2cccc(Cl)c2)N2CCCC2)n1 ZINC000263460404 962649225 /nfs/dbraw/zinc/64/92/25/962649225.db2.gz 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345.443 3.698 20 0 EHADHM Cc1ccccc1-c1cc(=NC(=O)c2ccn(C)c2C2CCC2)[nH][n-]1 ZINC000345311137 1020148027 /nfs/dbraw/zinc/14/80/27/1020148027.db2.gz YXZCKVFWPHZCIL-UHFFFAOYSA-N -1 3 334.423 3.665 20 0 EHADHM Cc1nc(C)c(CC(=O)Nc2cccc(-c3ccccc3)c2)c(=O)[n-]1 ZINC000345618472 1020388786 /nfs/dbraw/zinc/38/87/86/1020388786.db2.gz GPJJMPMRGVSKIV-UHFFFAOYSA-N -1 3 333.391 3.647 20 0 EHADHM CC(C)[C@H](CNC(=O)CCCc1ccc([O-])c(F)c1)c1cccnc1 ZINC000345906949 1020603463 /nfs/dbraw/zinc/60/34/63/1020603463.db2.gz QKGNVFLFXZIGGC-KRWDZBQOSA-N -1 3 344.430 3.805 20 0 EHADHM CN(C(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1ccc(F)c(F)c1 ZINC000094039317 1032927997 /nfs/dbraw/zinc/92/79/97/1032927997.db2.gz JODJUGRYMVTCLV-UHFFFAOYSA-N -1 3 333.334 3.661 20 0 EHADHM O=C(c1ccc([O-])cc1)C1CCN(Cc2cnc(C3CC3)s2)CC1 ZINC000124041469 1020886142 /nfs/dbraw/zinc/88/61/42/1020886142.db2.gz HZMADYWDTRSVLK-UHFFFAOYSA-N -1 3 342.464 3.821 20 0 EHADHM CCCCOc1ccc(CN[C@H](CC(=O)[O-])c2ccncc2)cc1 ZINC000656567339 1020923944 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EHADHM COc1ccc(C(=O)Nc2nc(C)ccc2[O-])cc1OC1CCCC1 ZINC000345979581 1022448518 /nfs/dbraw/zinc/44/85/18/1022448518.db2.gz JNKXKPOFFMWBIY-UHFFFAOYSA-N -1 3 342.395 3.678 20 0 EHADHM CN(Cc1cccnc1)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000101627349 1022584780 /nfs/dbraw/zinc/58/47/80/1022584780.db2.gz MPVJKDBNOXHKOD-UHFFFAOYSA-N -1 3 346.430 3.845 20 0 EHADHM O=C(CCCc1ccc([O-])c(F)c1)NCCc1cccc2[nH]ccc21 ZINC000506214904 1022601927 /nfs/dbraw/zinc/60/19/27/1022601927.db2.gz KYHVPHRVOXHHFQ-UHFFFAOYSA-N -1 3 340.398 3.694 20 0 EHADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000469397762 1022708176 /nfs/dbraw/zinc/70/81/76/1022708176.db2.gz OSQVMGABQJRXPQ-LRDDRELGSA-N -1 3 349.352 3.805 20 0 EHADHM COC(=O)c1cc(C(C)(C)C)sc1[N-]C(=O)c1cc(C2CC2)no1 ZINC000440464989 1022709476 /nfs/dbraw/zinc/70/94/76/1022709476.db2.gz YRTOZCRNMSTAFY-UHFFFAOYSA-N -1 3 348.424 3.950 20 0 EHADHM C[S@@](=O)Cc1cc(NCc2c(F)ccc([O-])c2F)ccc1Cl ZINC000438824225 1023041976 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EHADHM CC[C@@H]1[C@H](C)CCN1C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000548479126 1023450235 /nfs/dbraw/zinc/45/02/35/1023450235.db2.gz DPGYUDSFQXPSOP-SJKOYZFVSA-N -1 3 340.427 3.810 20 0 EHADHM CCCOc1ccc(CC(=O)Nc2ncccc2[O-])cc1OCCC ZINC000341905906 1023677203 /nfs/dbraw/zinc/67/72/03/1023677203.db2.gz XJHWACGXLUYWRT-UHFFFAOYSA-N -1 3 344.411 3.546 20 0 EHADHM CN(Cc1ccccc1F)C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC000341930424 1023703183 /nfs/dbraw/zinc/70/31/83/1023703183.db2.gz MPWKOGVZIPPZRJ-UHFFFAOYSA-N -1 3 344.773 3.593 20 0 EHADHM CCCN(Cc1ccc(C)cc1)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000535863434 1023876036 /nfs/dbraw/zinc/87/60/36/1023876036.db2.gz ZRSQIAZUCOFOFX-UHFFFAOYSA-N -1 3 340.423 3.711 20 0 EHADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1C[C@@H]2C[C@H]1CS2 ZINC000458332147 1023950679 /nfs/dbraw/zinc/95/06/79/1023950679.db2.gz LMTDFFNXGAOSTF-WFASDCNBSA-N -1 3 327.405 3.514 20 0 EHADHM O=C(CSc1nc2ccccc2o1)Nc1cc(Cl)ccc1[O-] ZINC000006238077 1023965523 /nfs/dbraw/zinc/96/55/23/1023965523.db2.gz 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Cc1nc([C@@H]2CCCO2)sc1C(=O)[N-]c1c(F)cc(F)cc1F ZINC000342389353 1025160366 /nfs/dbraw/zinc/16/03/66/1025160366.db2.gz VGWSOCHVDWLBLH-NSHDSACASA-N -1 3 342.342 3.973 20 0 EHADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cc(C)ccc1C)c2=O ZINC000346829151 1025216091 /nfs/dbraw/zinc/21/60/91/1025216091.db2.gz NVMHEJKKXFXMMT-UHFFFAOYSA-N -1 3 340.354 3.545 20 0 EHADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(Cl)cc2)cc1OC ZINC000277485706 1025348345 /nfs/dbraw/zinc/34/83/45/1025348345.db2.gz WWKOVQNSYPDNNA-HNNXBMFYSA-N -1 3 349.814 3.663 20 0 EHADHM CCc1ccc([O-])c(C(=O)N2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)c1 ZINC000505762591 1025405809 /nfs/dbraw/zinc/40/58/09/1025405809.db2.gz JYQDAOBEYGVMFA-MRXNPFEDSA-N -1 3 345.361 3.527 20 0 EHADHM CCOC(=O)c1ccc(NC(=O)c2cccc(F)c2SC)c([O-])c1 ZINC000436148486 1025419361 /nfs/dbraw/zinc/41/93/61/1025419361.db2.gz BKRJMHWTWTXUBV-UHFFFAOYSA-N -1 3 349.383 3.682 20 0 EHADHM CC(C)CN(Cc1ccccc1)C(=O)c1c[n-]c2ccccc2c1=O ZINC000347118773 1025534620 /nfs/dbraw/zinc/53/46/20/1025534620.db2.gz NYWXNBWQIDFFAY-UHFFFAOYSA-N -1 3 334.419 3.827 20 0 EHADHM Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1cc([O-])ccc1Cl ZINC000347122434 1025539220 /nfs/dbraw/zinc/53/92/20/1025539220.db2.gz LSPZUVZMRBDVBH-UHFFFAOYSA-N -1 3 327.771 3.996 20 0 EHADHM Cc1ccc(-c2nc(NC(=O)[C@@H]3CC[C@H]3c3ccc(F)cc3)n[n-]2)o1 ZINC000530266041 1025552488 /nfs/dbraw/zinc/55/24/88/1025552488.db2.gz NABMIZFWIVUWMD-UONOGXRCSA-N -1 3 340.358 3.645 20 0 EHADHM O=C([N-]OCc1ccc(F)cc1)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000529030700 1033293222 /nfs/dbraw/zinc/29/32/22/1033293222.db2.gz JJZTVBDNOJSLPM-HYVNUMGLSA-N -1 3 331.774 3.613 20 0 EHADHM CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC000515927515 1025760663 /nfs/dbraw/zinc/76/06/63/1025760663.db2.gz SZYBYPVNAYNJMX-ABAIWWIYSA-N -1 3 325.836 3.617 20 0 EHADHM Cc1ccnc(C(=O)[N-]c2cc(F)ccc2SCC(F)F)n1 ZINC000348298021 1025774220 /nfs/dbraw/zinc/77/42/20/1025774220.db2.gz NHXDJBKYFOKPNV-UHFFFAOYSA-N -1 3 327.331 3.534 20 0 EHADHM COc1ccc([C@H](CC(=O)[O-])NCc2cccc(Cl)c2)cc1OC ZINC000277541911 1025815742 /nfs/dbraw/zinc/81/57/42/1025815742.db2.gz ZSGLWIYFQHXXTI-HNNXBMFYSA-N -1 3 349.814 3.663 20 0 EHADHM C[C@@H](C(=O)Nc1cc(Br)ccc1[O-])c1cccs1 ZINC000085588044 1124629558 /nfs/dbraw/zinc/62/95/58/1124629558.db2.gz LNXHUHTVOIVERZ-MRVPVSSYSA-N -1 3 326.215 3.958 20 0 EHADHM C[C@H]1CN(c2ccccc2NCc2ccc([O-])c(F)c2)C[C@H](C)O1 ZINC000892253606 1025872137 /nfs/dbraw/zinc/87/21/37/1025872137.db2.gz DTCGGWXRMXSHES-KBPBESRZSA-N -1 3 330.403 3.757 20 0 EHADHM COCCSc1ccc([C@H](C)NC(=O)c2ccccc2[O-])cc1 ZINC000436565210 1025891778 /nfs/dbraw/zinc/89/17/78/1025891778.db2.gz SSHJKSJRAVJTGR-ZDUSSCGKSA-N -1 3 331.437 3.622 20 0 EHADHM Cc1cccc(C(=O)Nc2ccc(OCc3ccncc3)cc2)c1[O-] ZINC000436566847 1025894945 /nfs/dbraw/zinc/89/49/45/1025894945.db2.gz MYJKEUBJDYVGNG-UHFFFAOYSA-N -1 3 334.375 3.927 20 0 EHADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(F)cc3)cc(Cl)c2O1 ZINC000522884065 1025900381 /nfs/dbraw/zinc/90/03/81/1025900381.db2.gz LPGVIXGNHMHQGV-VIFPVBQESA-N -1 3 341.791 3.603 20 0 EHADHM O=C(NCCc1cccnc1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436597123 1025916630 /nfs/dbraw/zinc/91/66/30/1025916630.db2.gz PCGXCYAGIMUDRB-UHFFFAOYSA-N -1 3 346.430 3.545 20 0 EHADHM Cc1cc(C[C@H](C)NC(=O)c2ccc(C)cc2[O-])n(-c2ccccc2)n1 ZINC000436605479 1025939173 /nfs/dbraw/zinc/93/91/73/1025939173.db2.gz PMIDGEBPTZAGAI-HNNXBMFYSA-N -1 3 349.434 3.556 20 0 EHADHM Cc1ccc(-c2nc(-c3cc4c([nH]c3=O)[C@@H](C)CCC4)no2)c([O-])c1 ZINC000896769062 1025988217 /nfs/dbraw/zinc/98/82/17/1025988217.db2.gz FXGPACKFRHXMCJ-NSHDSACASA-N -1 3 337.379 3.958 20 0 EHADHM CCc1cc(=O)c2cc(NC(=O)c3ccc(C)c(C)c3[O-])ccc2[nH]1 ZINC000436678488 1026028667 /nfs/dbraw/zinc/02/86/67/1026028667.db2.gz HFRDAPWIKKJTFE-UHFFFAOYSA-N -1 3 336.391 3.665 20 0 EHADHM [O-]c1ccccc1-c1nc(Cc2cc(F)cc(Br)c2)no1 ZINC000436690143 1026045286 /nfs/dbraw/zinc/04/52/86/1026045286.db2.gz YHDIZIXXLUUDBO-UHFFFAOYSA-N -1 3 349.159 3.935 20 0 EHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1C 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[O-]c1cccc(Nc2ccc(OCCN3CCOCC3)cc2)c1Cl ZINC001174434849 1132353621 /nfs/dbraw/zinc/35/36/21/1132353621.db2.gz SLQCRVVEHPJOOK-UHFFFAOYSA-N -1 3 348.830 3.500 20 0 EHADHM CCO[C@@H](C)n1cc(Nc2cccc([O-])c2Br)cn1 ZINC001174702770 1132445849 /nfs/dbraw/zinc/44/58/49/1132445849.db2.gz MULXVCBUHWPMHR-VIFPVBQESA-N -1 3 326.194 3.650 20 0 EHADHM CCOc1nnc(NC(=O)C(C)=Cc2c(Cl)cccc2Cl)[n-]1 ZINC001174746092 1132464531 /nfs/dbraw/zinc/46/45/31/1132464531.db2.gz ZPUCZYWKOQXHOV-FPLPWBNLSA-N -1 3 341.198 3.552 20 0 EHADHM CCOc1nc(NC(=O)C(C)=Cc2c(Cl)cccc2Cl)n[n-]1 ZINC001174746092 1132464535 /nfs/dbraw/zinc/46/45/35/1132464535.db2.gz ZPUCZYWKOQXHOV-FPLPWBNLSA-N -1 3 341.198 3.552 20 0 EHADHM CCOc1n[n-]c(NC(=O)C(C)=Cc2c(Cl)cccc2Cl)n1 ZINC001174746092 1132464539 /nfs/dbraw/zinc/46/45/39/1132464539.db2.gz ZPUCZYWKOQXHOV-FPLPWBNLSA-N -1 3 341.198 3.552 20 0 EHADHM CC(C)OC(=O)c1cccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001174915800 1132503301 /nfs/dbraw/zinc/50/33/01/1132503301.db2.gz OZPBEMLPTGZHQY-UHFFFAOYSA-N 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1132891801 /nfs/dbraw/zinc/89/18/01/1132891801.db2.gz WWEJUDOAUYNTNP-UHFFFAOYSA-N -1 3 342.406 3.849 20 0 EHADHM Cc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(OC(C)(C)C)cc1 ZINC001176640898 1132975689 /nfs/dbraw/zinc/97/56/89/1132975689.db2.gz NVJHECJPJUALIT-UHFFFAOYSA-N -1 3 334.441 3.555 20 0 EHADHM CC1(C)CN(Cn2[n-]c(-c3ccccn3)nc2=S)CC(C)(C)C1 ZINC000767517033 1133011635 /nfs/dbraw/zinc/01/16/35/1133011635.db2.gz UOTDBWYDKPOYRZ-UHFFFAOYSA-N -1 3 331.489 3.718 20 0 EHADHM CCC[C@@H](C)[C@@H]1CCCN1Cn1[n-]c(-c2ccccn2)nc1=S ZINC000767763962 1133049968 /nfs/dbraw/zinc/04/99/68/1133049968.db2.gz PYEZDMPBINLEQR-HIFRSBDPSA-N -1 3 331.489 3.861 20 0 EHADHM Cc1nn(Cc2ccccc2Cl)c(C)c1C=Cc1nccc(=O)[n-]1 ZINC000742221049 1133053096 /nfs/dbraw/zinc/05/30/96/1133053096.db2.gz WUVHJMUQGYXCKY-BQYQJAHWSA-N -1 3 340.814 3.868 20 0 EHADHM CSc1nc(NC(=O)C(C)=Cc2c(Cl)cccc2Cl)n[n-]1 ZINC000767924304 1133069310 /nfs/dbraw/zinc/06/93/10/1133069310.db2.gz XZCUYFHHHGRUNI-VOTSOKGWSA-N -1 3 343.239 3.875 20 0 EHADHM 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1140107090 /nfs/dbraw/zinc/10/70/90/1140107090.db2.gz VXVKJLDBOCWVIG-SECBINFHSA-N -1 3 336.438 3.513 20 0 EHADHM Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2cc([O-])cc(F)c2)o1 ZINC000186194225 1140191586 /nfs/dbraw/zinc/19/15/86/1140191586.db2.gz ZWPDGSGYFDEFSM-SFHVURJKSA-N -1 3 339.370 3.522 20 0 EHADHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)n1 ZINC000192724563 1140546674 /nfs/dbraw/zinc/54/66/74/1140546674.db2.gz BTOLSGWAUPCRBW-QWRGUYRKSA-N -1 3 341.333 3.801 20 0 EHADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](C)c2ccc(Br)cc2)n1 ZINC000192729569 1140547818 /nfs/dbraw/zinc/54/78/18/1140547818.db2.gz AKTSNCAXVOROKR-WDEREUQCSA-N -1 3 336.233 3.665 20 0 EHADHM Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)CCC(C)(C)C ZINC000267136839 1140761457 /nfs/dbraw/zinc/76/14/57/1140761457.db2.gz JDIONJFMDBHBQN-UHFFFAOYSA-N -1 3 335.473 3.667 20 0 EHADHM Cc1ccc(-c2nnco2)cc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000271247589 1141332533 /nfs/dbraw/zinc/33/25/33/1141332533.db2.gz JTDTWKNAIHJVBH-UHFFFAOYSA-N -1 3 349.390 3.882 20 0 EHADHM COc1cccc(-c2nc(-c3ccc(NC(C)(C)C)cn3)no2)c1[O-] ZINC000273917847 1141446102 /nfs/dbraw/zinc/44/61/02/1141446102.db2.gz QCDSOILCXCFCQB-UHFFFAOYSA-N -1 3 340.383 3.723 20 0 EHADHM CO[C@H](C)c1nc(Cc2noc(-c3ccc(C)cc3[O-])n2)cs1 ZINC000274001339 1141460075 /nfs/dbraw/zinc/46/00/75/1141460075.db2.gz MJUQXVMNYBJWHP-SNVBAGLBSA-N -1 3 331.397 3.505 20 0 EHADHM [O-]c1cccc(CNCc2cccc(Cn3cccn3)c2)c1Cl ZINC000339199498 1141526049 /nfs/dbraw/zinc/52/60/49/1141526049.db2.gz QQOAOZCGPRCZOM-UHFFFAOYSA-N -1 3 327.815 3.580 20 0 EHADHM Cc1cscc1-c1nc2cc(Br)c(F)cc2c(=O)[n-]1 ZINC000349007577 1141621633 /nfs/dbraw/zinc/62/16/33/1141621633.db2.gz OVUIMJHQRLGYLM-UHFFFAOYSA-N -1 3 339.189 3.862 20 0 EHADHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(N)ccc1Cl ZINC000038033780 213194510 /nfs/dbraw/zinc/19/45/10/213194510.db2.gz QBTXTMCIVCCJRC-UHFFFAOYSA-N -1 3 331.224 3.685 20 0 EHADHM O=C(CCC1CC1)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000737824279 598994728 /nfs/dbraw/zinc/99/47/28/598994728.db2.gz OSMJGRHXZOGHFH-UHFFFAOYSA-N -1 3 339.424 3.724 20 0 EHADHM O=C(CCC1CC1)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000737824279 598994729 /nfs/dbraw/zinc/99/47/29/598994729.db2.gz OSMJGRHXZOGHFH-UHFFFAOYSA-N -1 3 339.424 3.724 20 0 EHADHM CC(C)C[C@@H]1CCCCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735796154 599011791 /nfs/dbraw/zinc/01/17/91/599011791.db2.gz VJRLURYPUHTKDZ-INIZCTEOSA-N -1 3 342.447 3.689 20 0 EHADHM CC(C)C[C@@H]1CCCCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735796154 599011793 /nfs/dbraw/zinc/01/17/93/599011793.db2.gz VJRLURYPUHTKDZ-INIZCTEOSA-N -1 3 342.447 3.689 20 0 EHADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1F)Sc1ccccc1 ZINC000820276491 599079435 /nfs/dbraw/zinc/07/94/35/599079435.db2.gz XFBQLPDQDGBBAT-NSHDSACASA-N -1 3 329.404 3.599 20 0 EHADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCCC2(C1)CCCCCC2 ZINC000822564254 599087691 /nfs/dbraw/zinc/08/76/91/599087691.db2.gz XPFFDMDKAUDVCJ-UHFFFAOYSA-N -1 3 346.866 3.856 20 0 EHADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCCC2(C1)CCCCCC2 ZINC000822564254 599087694 /nfs/dbraw/zinc/08/76/94/599087694.db2.gz XPFFDMDKAUDVCJ-UHFFFAOYSA-N -1 3 346.866 3.856 20 0 EHADHM COc1ccccc1[C@H](C)SCc1ccc(-c2nnn[n-]2)cc1 ZINC000821882831 599127851 /nfs/dbraw/zinc/12/78/51/599127851.db2.gz LRPGWUGNLWZHPU-LBPRGKRZSA-N -1 3 326.425 3.870 20 0 EHADHM COc1ccccc1[C@H](C)SCc1ccc(-c2nn[n-]n2)cc1 ZINC000821882831 599127853 /nfs/dbraw/zinc/12/78/53/599127853.db2.gz LRPGWUGNLWZHPU-LBPRGKRZSA-N -1 3 326.425 3.870 20 0 EHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C1CCC(c2ccccc2)CC1 ZINC000463299974 599131910 /nfs/dbraw/zinc/13/19/10/599131910.db2.gz KRDZBWWLFSZWLA-UHFFFAOYSA-N -1 3 347.422 3.779 20 0 EHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C1CCC(c2ccccc2)CC1 ZINC000463299974 599131912 /nfs/dbraw/zinc/13/19/12/599131912.db2.gz KRDZBWWLFSZWLA-UHFFFAOYSA-N -1 3 347.422 3.779 20 0 EHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)/C=C(\C)C(C)(C)C ZINC000821099850 599140764 /nfs/dbraw/zinc/14/07/64/599140764.db2.gz PJRRGAQOOVISRJ-WYMLVPIESA-N -1 3 341.459 3.598 20 0 EHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)/C=C(\C)C(C)(C)C ZINC000821099850 599140767 /nfs/dbraw/zinc/14/07/67/599140767.db2.gz PJRRGAQOOVISRJ-WYMLVPIESA-N -1 3 341.459 3.598 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@H](C)c1ccccc1C ZINC000737290198 599161138 /nfs/dbraw/zinc/16/11/38/599161138.db2.gz CTVXNIDKYLXWKI-AWEZNQCLSA-N -1 3 335.411 3.616 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@H](C)c1ccccc1C ZINC000737290198 599161141 /nfs/dbraw/zinc/16/11/41/599161141.db2.gz CTVXNIDKYLXWKI-AWEZNQCLSA-N -1 3 335.411 3.616 20 0 EHADHM CCCCCC[C@H](CC)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736448227 599194490 /nfs/dbraw/zinc/19/44/90/599194490.db2.gz VQHYPAZWGSRUGK-INIZCTEOSA-N -1 3 343.475 3.822 20 0 EHADHM CCCCCC[C@H](CC)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736448227 599194493 /nfs/dbraw/zinc/19/44/93/599194493.db2.gz VQHYPAZWGSRUGK-INIZCTEOSA-N -1 3 343.475 3.822 20 0 EHADHM O=C(c1sccc1-c1nnn[n-]1)N1CCCC2(C1)CCCCCC2 ZINC000823498685 599202480 /nfs/dbraw/zinc/20/24/80/599202480.db2.gz YMUCNBWYWJRKFP-UHFFFAOYSA-N -1 3 345.472 3.505 20 0 EHADHM O=C(c1sccc1-c1nn[n-]n1)N1CCCC2(C1)CCCCCC2 ZINC000823498685 599202482 /nfs/dbraw/zinc/20/24/82/599202482.db2.gz YMUCNBWYWJRKFP-UHFFFAOYSA-N -1 3 345.472 3.505 20 0 EHADHM Cc1c(NC(=O)[C@H](C)c2cccc(Cl)c2)cccc1-c1nnn[n-]1 ZINC000822060932 607294786 /nfs/dbraw/zinc/29/47/86/607294786.db2.gz JUNHGNZQOPIGCF-SNVBAGLBSA-N -1 3 341.802 3.571 20 0 EHADHM Cc1c(NC(=O)[C@H](C)c2cccc(Cl)c2)cccc1-c1nn[n-]n1 ZINC000822060932 607294787 /nfs/dbraw/zinc/29/47/87/607294787.db2.gz JUNHGNZQOPIGCF-SNVBAGLBSA-N -1 3 341.802 3.571 20 0 EHADHM Cc1ccc2[nH]c(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)cc2c1C ZINC000822270969 607295995 /nfs/dbraw/zinc/29/59/95/607295995.db2.gz GJNOOEBJLBEATO-UHFFFAOYSA-N -1 3 346.394 3.526 20 0 EHADHM Cc1ccc2[nH]c(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)cc2c1C ZINC000822270969 607295996 /nfs/dbraw/zinc/29/59/96/607295996.db2.gz GJNOOEBJLBEATO-UHFFFAOYSA-N -1 3 346.394 3.526 20 0 EHADHM CC(C)Oc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1Cl ZINC000820173595 607308693 /nfs/dbraw/zinc/30/86/93/607308693.db2.gz JAYOMPIIGPSUOG-UHFFFAOYSA-N -1 3 349.847 3.981 20 0 EHADHM CCc1ccccc1C(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821492276 607309124 /nfs/dbraw/zinc/30/91/24/607309124.db2.gz KBMLLNBQOYRFMT-AWEZNQCLSA-N -1 3 349.438 3.652 20 0 EHADHM CCc1ccccc1C(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821492276 607309125 /nfs/dbraw/zinc/30/91/25/607309125.db2.gz KBMLLNBQOYRFMT-AWEZNQCLSA-N -1 3 349.438 3.652 20 0 EHADHM CC(C)c1nc2cc(NCc3cc(-c4nnn[n-]4)cs3)ccc2o1 ZINC000820202806 607309825 /nfs/dbraw/zinc/30/98/25/607309825.db2.gz LWMDETSRWYIEJO-UHFFFAOYSA-N -1 3 340.412 3.805 20 0 EHADHM CC(C)c1nc2cc(NCc3cc(-c4nn[n-]n4)cs3)ccc2o1 ZINC000820202806 607309826 /nfs/dbraw/zinc/30/98/26/607309826.db2.gz LWMDETSRWYIEJO-UHFFFAOYSA-N -1 3 340.412 3.805 20 0 EHADHM CCCOc1ccc(Cl)cc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000821134280 607312369 /nfs/dbraw/zinc/31/23/69/607312369.db2.gz RVHHRYSDDBIKPN-UHFFFAOYSA-N -1 3 349.847 3.983 20 0 EHADHM CCCOc1ccc(Cl)cc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000821134280 607312370 /nfs/dbraw/zinc/31/23/70/607312370.db2.gz RVHHRYSDDBIKPN-UHFFFAOYSA-N -1 3 349.847 3.983 20 0 EHADHM O=C([O-])c1cccc(CNCc2ccc(Oc3ccccc3)nc2)c1 ZINC000821553087 598203563 /nfs/dbraw/zinc/20/35/63/598203563.db2.gz ZUQMBZAJBZYEBV-UHFFFAOYSA-N -1 3 334.375 3.862 20 0 EHADHM COc1ccc(CNc2ccc(C(F)(F)F)c(-c3nnn[n-]3)c2)cc1 ZINC000821821839 607345070 /nfs/dbraw/zinc/34/50/70/607345070.db2.gz ZITHBFBWJNXGHD-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM COc1ccc(CNc2ccc(C(F)(F)F)c(-c3nn[n-]n3)c2)cc1 ZINC000821821839 607345072 /nfs/dbraw/zinc/34/50/72/607345072.db2.gz ZITHBFBWJNXGHD-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM Fc1cccc(N[C@@H](c2ccccc2)c2ccccn2)c1-c1nnn[n-]1 ZINC000737661804 598235099 /nfs/dbraw/zinc/23/50/99/598235099.db2.gz QEMSEAVFNKGXPW-SFHVURJKSA-N -1 3 346.369 3.602 20 0 EHADHM Fc1cccc(N[C@@H](c2ccccc2)c2ccccn2)c1-c1nn[n-]n1 ZINC000737661804 598235101 /nfs/dbraw/zinc/23/51/01/598235101.db2.gz QEMSEAVFNKGXPW-SFHVURJKSA-N -1 3 346.369 3.602 20 0 EHADHM CC(C)[C@H](CNc1cccc(F)c1-c1nnn[n-]1)Nc1ccccc1 ZINC000735707027 598236613 /nfs/dbraw/zinc/23/66/13/598236613.db2.gz FSTLRGRFDGGEJF-INIZCTEOSA-N -1 3 340.406 3.554 20 0 EHADHM CC(C)[C@H](CNc1cccc(F)c1-c1nn[n-]n1)Nc1ccccc1 ZINC000735707027 598236615 /nfs/dbraw/zinc/23/66/15/598236615.db2.gz FSTLRGRFDGGEJF-INIZCTEOSA-N -1 3 340.406 3.554 20 0 EHADHM CC(C)Oc1cccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000735914662 598238051 /nfs/dbraw/zinc/23/80/51/598238051.db2.gz XZPUARQMRNBJGG-GFCCVEGCSA-N -1 3 341.390 3.966 20 0 EHADHM CC(C)c1ccc(C(C)(C)NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735922909 598239109 /nfs/dbraw/zinc/23/91/09/598239109.db2.gz OJVZCWYGJUVBMD-UHFFFAOYSA-N -1 3 349.438 3.655 20 0 EHADHM CC(C)c1ccc(C(C)(C)NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735922909 598239111 /nfs/dbraw/zinc/23/91/11/598239111.db2.gz OJVZCWYGJUVBMD-UHFFFAOYSA-N -1 3 349.438 3.655 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1NCc1ccccc1C(F)(F)F ZINC000737645458 598243337 /nfs/dbraw/zinc/24/33/37/598243337.db2.gz ZBPRUPPHCBUIJT-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM CCc1cccc2c1OCC[C@@H]2Nc1cccc(F)c1-c1nnn[n-]1 ZINC000736695025 598248102 /nfs/dbraw/zinc/24/81/02/598248102.db2.gz GOZCVONGLKPZTE-AWEZNQCLSA-N -1 3 339.374 3.504 20 0 EHADHM CCc1cccc2c1OCC[C@@H]2Nc1cccc(F)c1-c1nn[n-]n1 ZINC000736695025 598248103 /nfs/dbraw/zinc/24/81/03/598248103.db2.gz GOZCVONGLKPZTE-AWEZNQCLSA-N -1 3 339.374 3.504 20 0 EHADHM COc1ccc(CNc2ccc(-c3nn[n-]n3)cc2)c(C(F)(F)F)c1 ZINC000737096236 598352946 /nfs/dbraw/zinc/35/29/46/598352946.db2.gz SLEKOYRTQOIGQB-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM C[C@@H](CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735975667 598491389 /nfs/dbraw/zinc/49/13/89/598491389.db2.gz IFYDCUXWSWUQMB-KBPBESRZSA-N -1 3 336.395 3.665 20 0 EHADHM C[C@@H](CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735975667 598491390 /nfs/dbraw/zinc/49/13/90/598491390.db2.gz IFYDCUXWSWUQMB-KBPBESRZSA-N -1 3 336.395 3.665 20 0 EHADHM CSCCc1ccc(Nc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000737180535 598521365 /nfs/dbraw/zinc/52/13/65/598521365.db2.gz BWFITSVZFWBYFS-UHFFFAOYSA-N -1 3 329.404 3.655 20 0 EHADHM CSCCc1ccc(Nc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000737180535 598521367 /nfs/dbraw/zinc/52/13/67/598521367.db2.gz BWFITSVZFWBYFS-UHFFFAOYSA-N -1 3 329.404 3.655 20 0 EHADHM Fc1cc(OCc2ccccc2C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737650430 598549252 /nfs/dbraw/zinc/54/92/52/598549252.db2.gz IDGDZEPRQNQNHG-UHFFFAOYSA-N -1 3 338.264 3.604 20 0 EHADHM Fc1cc(OCc2ccccc2C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737650430 598549254 /nfs/dbraw/zinc/54/92/54/598549254.db2.gz IDGDZEPRQNQNHG-UHFFFAOYSA-N -1 3 338.264 3.604 20 0 EHADHM CC[C@@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736318068 598554948 /nfs/dbraw/zinc/55/49/48/598554948.db2.gz BGJNWNGYQAOOKJ-GFCCVEGCSA-N -1 3 337.383 3.644 20 0 EHADHM CC[C@@H](C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736318068 598554950 /nfs/dbraw/zinc/55/49/50/598554950.db2.gz BGJNWNGYQAOOKJ-GFCCVEGCSA-N -1 3 337.383 3.644 20 0 EHADHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(S[C@H]2C=CCCC2)n1 ZINC000737245312 598565656 /nfs/dbraw/zinc/56/56/56/598565656.db2.gz NDLPLFOAUDCNGH-VIFPVBQESA-N -1 3 341.362 3.790 20 0 EHADHM C[C@H]1c2ccsc2CCN1c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736301688 598631490 /nfs/dbraw/zinc/63/14/90/598631490.db2.gz CPYSILVMKLUZLY-VIFPVBQESA-N -1 3 331.832 3.705 20 0 EHADHM C[C@H]1c2ccsc2CCN1c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736301688 598631492 /nfs/dbraw/zinc/63/14/92/598631492.db2.gz CPYSILVMKLUZLY-VIFPVBQESA-N -1 3 331.832 3.705 20 0 EHADHM CC(C)Oc1cccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000735912439 598652851 /nfs/dbraw/zinc/65/28/51/598652851.db2.gz CTWCTXDGJFJUSD-UHFFFAOYSA-N -1 3 343.818 3.919 20 0 EHADHM CC(C)Oc1cccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000735912439 598652852 /nfs/dbraw/zinc/65/28/52/598652852.db2.gz CTWCTXDGJFJUSD-UHFFFAOYSA-N -1 3 343.818 3.919 20 0 EHADHM COc1ccc(CCCNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737088186 598656281 /nfs/dbraw/zinc/65/62/81/598656281.db2.gz LTGHFLCROVNGHR-UHFFFAOYSA-N -1 3 343.818 3.573 20 0 EHADHM COc1ccc(CCCNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737088186 598656283 /nfs/dbraw/zinc/65/62/83/598656283.db2.gz LTGHFLCROVNGHR-UHFFFAOYSA-N -1 3 343.818 3.573 20 0 EHADHM Cc1ccccc1[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000737423611 598669829 /nfs/dbraw/zinc/66/98/29/598669829.db2.gz RNJAYYLBVMPFRZ-ZDUSSCGKSA-N -1 3 339.830 3.822 20 0 EHADHM Cc1ccccc1[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000737423611 598669832 /nfs/dbraw/zinc/66/98/32/598669832.db2.gz RNJAYYLBVMPFRZ-ZDUSSCGKSA-N -1 3 339.830 3.822 20 0 EHADHM CCc1nc([C@@H](C)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cs1 ZINC000736701101 598681225 /nfs/dbraw/zinc/68/12/25/598681225.db2.gz ZCVMTWJGJZYSBS-MRVPVSSYSA-N -1 3 334.836 3.712 20 0 EHADHM CCc1nc([C@@H](C)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cs1 ZINC000736701101 598681227 /nfs/dbraw/zinc/68/12/27/598681227.db2.gz ZCVMTWJGJZYSBS-MRVPVSSYSA-N -1 3 334.836 3.712 20 0 EHADHM CC(C)(C)CCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000735604269 598734601 /nfs/dbraw/zinc/73/46/01/598734601.db2.gz TYBQUBIJSFYJCP-UHFFFAOYSA-N -1 3 347.488 3.962 20 0 EHADHM CC(C)(C)CCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000735604269 598734603 /nfs/dbraw/zinc/73/46/03/598734603.db2.gz TYBQUBIJSFYJCP-UHFFFAOYSA-N -1 3 347.488 3.962 20 0 EHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cccc(C(F)F)c2)s1 ZINC000736678234 598790211 /nfs/dbraw/zinc/79/02/11/598790211.db2.gz AWEPHWDLJWMPFI-UHFFFAOYSA-N -1 3 349.366 3.681 20 0 EHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cccc(C(F)F)c2)s1 ZINC000736678234 598790213 /nfs/dbraw/zinc/79/02/13/598790213.db2.gz AWEPHWDLJWMPFI-UHFFFAOYSA-N -1 3 349.366 3.681 20 0 EHADHM C[C@H](Nc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000736140299 598791379 /nfs/dbraw/zinc/79/13/79/598791379.db2.gz TVVXWKXXCLJPCI-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@H](Nc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000736140299 598791381 /nfs/dbraw/zinc/79/13/81/598791381.db2.gz TVVXWKXXCLJPCI-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@@H](SCCCOCC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188189 599325898 /nfs/dbraw/zinc/32/58/98/599325898.db2.gz IRMYPDPKGXKSSW-SNVBAGLBSA-N -1 3 346.378 3.630 20 0 EHADHM C[C@@H](SCCCOCC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188189 599325901 /nfs/dbraw/zinc/32/59/01/599325901.db2.gz IRMYPDPKGXKSSW-SNVBAGLBSA-N -1 3 346.378 3.630 20 0 EHADHM CC[C@H](NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(F)cc1F ZINC000820926939 599384407 /nfs/dbraw/zinc/38/44/07/599384407.db2.gz XWIOQSNWHLBHCV-INIZCTEOSA-N -1 3 347.344 3.525 20 0 EHADHM Cc1cccc2c1CC[C@H]2Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737411298 599429574 /nfs/dbraw/zinc/42/95/74/599429574.db2.gz ZNWIYBFLHRYSJR-GOSISDBHSA-N -1 3 342.406 3.823 20 0 EHADHM Cc1cccc2c1CC[C@H]2Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737411298 599429577 /nfs/dbraw/zinc/42/95/77/599429577.db2.gz ZNWIYBFLHRYSJR-GOSISDBHSA-N -1 3 342.406 3.823 20 0 EHADHM Fc1ccc2c(c1)[C@@H](Nc1cc(Cl)ccc1-c1nnn[n-]1)CC2 ZINC000737664178 599432685 /nfs/dbraw/zinc/43/26/85/599432685.db2.gz CXVJONVZSUWNGF-AWEZNQCLSA-N -1 3 329.766 3.759 20 0 EHADHM Fc1ccc2c(c1)[C@@H](Nc1cc(Cl)ccc1-c1nn[n-]n1)CC2 ZINC000737664178 599432688 /nfs/dbraw/zinc/43/26/88/599432688.db2.gz CXVJONVZSUWNGF-AWEZNQCLSA-N -1 3 329.766 3.759 20 0 EHADHM CCOc1ccc([C@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821417797 599467065 /nfs/dbraw/zinc/46/70/65/599467065.db2.gz RYSJAXBWLAVHGJ-NSHDSACASA-N -1 3 327.363 3.578 20 0 EHADHM CCOc1ccc([C@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821417797 599467067 /nfs/dbraw/zinc/46/70/67/599467067.db2.gz RYSJAXBWLAVHGJ-NSHDSACASA-N -1 3 327.363 3.578 20 0 EHADHM CC(C)Oc1cccc(CNc2c(Cl)cccc2-c2nnn[n-]2)c1 ZINC000820178605 599481946 /nfs/dbraw/zinc/48/19/46/599481946.db2.gz VTCOBVYYPFKXLK-UHFFFAOYSA-N -1 3 343.818 3.919 20 0 EHADHM CC(C)Oc1cccc(CNc2c(Cl)cccc2-c2nn[n-]n2)c1 ZINC000820178605 599481947 /nfs/dbraw/zinc/48/19/47/599481947.db2.gz VTCOBVYYPFKXLK-UHFFFAOYSA-N -1 3 343.818 3.919 20 0 EHADHM Cc1c2cc(F)ccc2oc1CNc1ccc(F)cc1-c1nnn[n-]1 ZINC000822027301 599495903 /nfs/dbraw/zinc/49/59/03/599495903.db2.gz GHCFZRZZEKXJMA-UHFFFAOYSA-N -1 3 341.321 3.812 20 0 EHADHM Cc1c2cc(F)ccc2oc1CNc1ccc(F)cc1-c1nn[n-]n1 ZINC000822027301 599495904 /nfs/dbraw/zinc/49/59/04/599495904.db2.gz GHCFZRZZEKXJMA-UHFFFAOYSA-N -1 3 341.321 3.812 20 0 EHADHM C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397919 599504216 /nfs/dbraw/zinc/50/42/16/599504216.db2.gz XAJITYQQSDHXQO-ZDUSSCGKSA-N -1 3 349.438 3.655 20 0 EHADHM C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397919 599504219 /nfs/dbraw/zinc/50/42/19/599504219.db2.gz XAJITYQQSDHXQO-ZDUSSCGKSA-N -1 3 349.438 3.655 20 0 EHADHM Fc1cccc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)c1 ZINC000737660907 599521552 /nfs/dbraw/zinc/52/15/52/599521552.db2.gz LAHTZQUYRQEARR-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Fc1ccc(N2CCC(c3ccccc3F)CC2)c(-c2nnn[n-]2)c1 ZINC000822778186 599564713 /nfs/dbraw/zinc/56/47/13/599564713.db2.gz FMMBZKVYIOMPPA-UHFFFAOYSA-N -1 3 341.365 3.529 20 0 EHADHM Fc1ccc(N2CCC(c3ccccc3F)CC2)c(-c2nn[n-]n2)c1 ZINC000822778186 599564715 /nfs/dbraw/zinc/56/47/15/599564715.db2.gz FMMBZKVYIOMPPA-UHFFFAOYSA-N -1 3 341.365 3.529 20 0 EHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000822351216 599564756 /nfs/dbraw/zinc/56/47/56/599564756.db2.gz LTZGGMHDYOEFMM-ZIAGYGMSSA-N -1 3 337.402 3.697 20 0 EHADHM Cc1ccccc1[C@@H]1C[C@@H](C)N(c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000822351216 599564757 /nfs/dbraw/zinc/56/47/57/599564757.db2.gz LTZGGMHDYOEFMM-ZIAGYGMSSA-N -1 3 337.402 3.697 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1ncc(-c2ccccc2C)o1 ZINC000822221270 599691790 /nfs/dbraw/zinc/69/17/90/599691790.db2.gz IEFJBGVNIVUFQO-UHFFFAOYSA-N -1 3 346.394 3.751 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1ncc(-c2ccccc2C)o1 ZINC000822221270 599691791 /nfs/dbraw/zinc/69/17/91/599691791.db2.gz IEFJBGVNIVUFQO-UHFFFAOYSA-N -1 3 346.394 3.751 20 0 EHADHM Cc1ccc(NC(=O)c2cccc(CN3CCCC3)c2)c(C(=O)[O-])c1 ZINC000738628899 600073550 /nfs/dbraw/zinc/07/35/50/600073550.db2.gz UAQSWCQOJLNJFU-UHFFFAOYSA-N -1 3 338.407 3.541 20 0 EHADHM CC[C@](NCc1cc(Cl)ccc1OC)(C(=O)[O-])c1ccccc1 ZINC000736917088 600128281 /nfs/dbraw/zinc/12/82/81/600128281.db2.gz LKYGYUGSSPIUFC-GOSISDBHSA-N -1 3 333.815 3.828 20 0 EHADHM CSc1ccc2cc(CN(C)C(C)(C)C(=O)[O-])c(Cl)nc2c1 ZINC000738214531 600136546 /nfs/dbraw/zinc/13/65/46/600136546.db2.gz LIAOPPOWOYCMGK-UHFFFAOYSA-N -1 3 338.860 3.905 20 0 EHADHM Cc1ccc(N(C(=O)c2ccc(-c3nnn[n-]3)cc2C)C(C)C)cc1 ZINC000826289968 607432146 /nfs/dbraw/zinc/43/21/46/607432146.db2.gz UVRXBQJWPRQGEA-UHFFFAOYSA-N -1 3 335.411 3.539 20 0 EHADHM Cc1ccc(N(C(=O)c2ccc(-c3nn[n-]n3)cc2C)C(C)C)cc1 ZINC000826289968 607432148 /nfs/dbraw/zinc/43/21/48/607432148.db2.gz UVRXBQJWPRQGEA-UHFFFAOYSA-N -1 3 335.411 3.539 20 0 EHADHM CC(C)[C@H](CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824193180 607434805 /nfs/dbraw/zinc/43/48/05/607434805.db2.gz ULNAFQJDCPXAGJ-SFHVURJKSA-N -1 3 349.438 3.659 20 0 EHADHM CC(C)[C@H](CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824193180 607434807 /nfs/dbraw/zinc/43/48/07/607434807.db2.gz ULNAFQJDCPXAGJ-SFHVURJKSA-N -1 3 349.438 3.659 20 0 EHADHM O=C([O-])[C@@H]1CC12CCN(Cc1c(Cl)ccc3cccnc31)CC2 ZINC000578368457 600303234 /nfs/dbraw/zinc/30/32/34/600303234.db2.gz RADOPSHKEJIPLC-AWEZNQCLSA-N -1 3 330.815 3.575 20 0 EHADHM O=C([O-])[C@@H](NCc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000426786949 600418769 /nfs/dbraw/zinc/41/87/69/600418769.db2.gz ZNEWVFYLTXDTJQ-AWEZNQCLSA-N -1 3 327.277 3.760 20 0 EHADHM O=C([O-])[C@@H](NCc1ccc(-c2cccnc2)cc1)c1ccc(F)cc1 ZINC000833166642 600761732 /nfs/dbraw/zinc/76/17/32/600761732.db2.gz SEHWPQITZHNVCU-IBGZPJMESA-N -1 3 336.366 3.803 20 0 EHADHM O=C([O-])c1cccc(-c2nc(CN3CCC[C@@H]3C3CC3)cs2)c1 ZINC000833326475 600825584 /nfs/dbraw/zinc/82/55/84/600825584.db2.gz PUWATNJGIRRHJI-MRXNPFEDSA-N -1 3 328.437 3.883 20 0 EHADHM COc1ccc([C@H](N[C@H](C(=O)[O-])c2ccccc2F)C2CC2)cc1 ZINC000832246424 600893636 /nfs/dbraw/zinc/89/36/36/600893636.db2.gz VITDUYRWUKSGBR-MSOLQXFVSA-N -1 3 329.371 3.701 20 0 EHADHM Cc1ccc(C)n1C1CCN(Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000832929410 601625379 /nfs/dbraw/zinc/62/53/79/601625379.db2.gz LCZAUYFIJUDBOG-UHFFFAOYSA-N -1 3 330.403 3.779 20 0 EHADHM Cc1ccc(-c2cnc(CNC3(CC(=O)[O-])CCCCC3)o2)cc1 ZINC000832907654 601879164 /nfs/dbraw/zinc/87/91/64/601879164.db2.gz ZQDBGGDVTDCLDQ-UHFFFAOYSA-N -1 3 328.412 3.917 20 0 EHADHM C[C@H](CCC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824402028 607532044 /nfs/dbraw/zinc/53/20/44/607532044.db2.gz TWGGEFYBVPSLAK-CABCVRRESA-N -1 3 349.438 3.628 20 0 EHADHM C[C@H](CCC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824402028 607532045 /nfs/dbraw/zinc/53/20/45/607532045.db2.gz TWGGEFYBVPSLAK-CABCVRRESA-N -1 3 349.438 3.628 20 0 EHADHM CCOc1ccc(SCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000825643476 607542051 /nfs/dbraw/zinc/54/20/51/607542051.db2.gz OQPCWEGHOZJMBC-UHFFFAOYSA-N -1 3 342.424 3.566 20 0 EHADHM CCOc1ccc(SCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000825643476 607542052 /nfs/dbraw/zinc/54/20/52/607542052.db2.gz OQPCWEGHOZJMBC-UHFFFAOYSA-N -1 3 342.424 3.566 20 0 EHADHM CC[C@@](C)(CC(=O)[O-])NCc1csc(-c2cccc(OC)c2)n1 ZINC000828672632 602216906 /nfs/dbraw/zinc/21/69/06/602216906.db2.gz UMNJRENRDOAJJV-KRWDZBQOSA-N -1 3 334.441 3.552 20 0 EHADHM CC(C)Oc1ccc([C@H](C)NCc2ccc(NC(=O)[O-])nc2)cc1 ZINC000824411989 603536891 /nfs/dbraw/zinc/53/68/91/603536891.db2.gz RRPIYDHEQDLLIO-ZDUSSCGKSA-N -1 3 329.400 3.810 20 0 EHADHM CC[C@H](N[C@H]1CCCN(C(=O)[O-])C1)c1cc(Cl)ccc1OC ZINC000828983492 604287735 /nfs/dbraw/zinc/28/77/35/604287735.db2.gz WIDRJIMWSIHZQY-JSGCOSHPSA-N -1 3 326.824 3.532 20 0 EHADHM O=C([O-])c1sc2ccccc2c1CN1CCOC2(CCCC2)C1 ZINC000833347834 604366132 /nfs/dbraw/zinc/36/61/32/604366132.db2.gz VOEGIVVWLFHGQQ-UHFFFAOYSA-N -1 3 331.437 3.745 20 0 EHADHM C[C@H](NC(=O)C[C@@H]1CCCCC1(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824479629 607693347 /nfs/dbraw/zinc/69/33/47/607693347.db2.gz PCROQEOMQHWPCS-BBRMVZONSA-N -1 3 341.459 3.650 20 0 EHADHM C[C@H](NC(=O)C[C@@H]1CCCCC1(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824479629 607693348 /nfs/dbraw/zinc/69/33/48/607693348.db2.gz PCROQEOMQHWPCS-BBRMVZONSA-N -1 3 341.459 3.650 20 0 EHADHM Cc1cccc(C(C)C)c1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826249461 607700510 /nfs/dbraw/zinc/70/05/10/607700510.db2.gz DRHOFRMCLZELRI-UHFFFAOYSA-N -1 3 335.411 3.859 20 0 EHADHM Cc1cccc(C(C)C)c1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826249461 607700512 /nfs/dbraw/zinc/70/05/12/607700512.db2.gz DRHOFRMCLZELRI-UHFFFAOYSA-N -1 3 335.411 3.859 20 0 EHADHM C[C@@H](Oc1ccc(CN2Cc3ccccc3[C@H](C)C2)cc1)C(=O)[O-] ZINC000833540501 604519706 /nfs/dbraw/zinc/51/97/06/604519706.db2.gz LENXNZLEHQCMGG-HUUCEWRRSA-N -1 3 325.408 3.658 20 0 EHADHM CCCOc1c(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cccc1OCC ZINC000833651907 604650159 /nfs/dbraw/zinc/65/01/59/604650159.db2.gz GUTBERHJDYKWHG-MRXNPFEDSA-N -1 3 347.455 3.561 20 0 EHADHM O=C([O-])c1cc(CN2CCC[C@H](COc3ccccc3Cl)C2)c[nH]1 ZINC000833779541 604681926 /nfs/dbraw/zinc/68/19/26/604681926.db2.gz MVEYNFMCUBHMPX-ZDUSSCGKSA-N -1 3 348.830 3.657 20 0 EHADHM C[C@@]1(NCc2nnc(-c3cccc(Cl)c3)o2)CCCC[C@@H]1C(=O)[O-] ZINC000833568949 604819236 /nfs/dbraw/zinc/81/92/36/604819236.db2.gz JCNHEANRCPAYGL-CXAGYDPISA-N -1 3 349.818 3.513 20 0 EHADHM C[C@@]1(NCc2ncc(-c3ccc(F)cc3)o2)CCCC[C@H]1C(=O)[O-] ZINC000833569516 604820837 /nfs/dbraw/zinc/82/08/37/604820837.db2.gz LZJMLSCECFAMDI-KBXCAEBGSA-N -1 3 332.375 3.604 20 0 EHADHM CCc1nc(C)c([C@@H](C)NCc2ccc(CCNC(=O)[O-])cc2)s1 ZINC000827627840 604942966 /nfs/dbraw/zinc/94/29/66/604942966.db2.gz XVGIDVBUGHPFRT-GFCCVEGCSA-N -1 3 347.484 3.675 20 0 EHADHM C[C@@H](c1nnc(-c2cccs2)o1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833550186 604946614 /nfs/dbraw/zinc/94/66/14/604946614.db2.gz KEQJCIBYNCKYQH-NWDGAFQWSA-N -1 3 349.456 3.682 20 0 EHADHM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccc(Br)cc1 ZINC000235214372 605060363 /nfs/dbraw/zinc/06/03/63/605060363.db2.gz ZCIUANLFEPSVAI-LLVKDONJSA-N -1 3 334.213 3.998 20 0 EHADHM C[C@@]1(NCc2c(F)c(F)c(F)c(F)c2F)CCCC[C@H]1C(=O)[O-] ZINC000833573458 605066153 /nfs/dbraw/zinc/06/61/53/605066153.db2.gz XMRSRNQTNGRZFN-VXJOIVPMSA-N -1 3 337.288 3.505 20 0 EHADHM CC[C@@H](NCc1cc(C(=O)[O-])sc1C)c1ccc2c(c1)OCCO2 ZINC000833643666 605097285 /nfs/dbraw/zinc/09/72/85/605097285.db2.gz DIKOHBYDTBZEQM-CQSZACIVSA-N -1 3 347.436 3.767 20 0 EHADHM COc1cccc2c1CC[C@@H]2NCc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000829582320 605120002 /nfs/dbraw/zinc/12/00/02/605120002.db2.gz ZGGQJAYFBQJMMY-UGSOOPFHSA-N -1 3 340.423 3.801 20 0 EHADHM CCc1oc(C(=O)[O-])cc1CN[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000833681332 605174368 /nfs/dbraw/zinc/17/43/68/605174368.db2.gz YGWWZDQXAHAWGH-WMLDXEAASA-N -1 3 343.423 3.798 20 0 EHADHM O=C([O-])N[C@@H]1C[C@H](N[C@H](CCCO)c2ccccc2)c2ccccc21 ZINC000834157336 605800090 /nfs/dbraw/zinc/80/00/90/605800090.db2.gz GXIQZLDDPDSLJA-CEXWTWQISA-N -1 3 340.423 3.544 20 0 EHADHM O=C([O-])N1CC(CN[C@@H](c2ccccc2)c2ccc3ccccc3n2)C1 ZINC000834065770 605880395 /nfs/dbraw/zinc/88/03/95/605880395.db2.gz AIKNIZCTKGZQAL-FQEVSTJZSA-N -1 3 347.418 3.524 20 0 EHADHM Clc1ccc(CNc2nc3ccccc3cc2-c2nnn[n-]2)s1 ZINC000822573986 606039873 /nfs/dbraw/zinc/03/98/73/606039873.db2.gz MKQXOSHWLJVLOS-UHFFFAOYSA-N -1 3 342.815 3.742 20 0 EHADHM Clc1ccc(CNc2nc3ccccc3cc2-c2nn[n-]n2)s1 ZINC000822573986 606039877 /nfs/dbraw/zinc/03/98/77/606039877.db2.gz MKQXOSHWLJVLOS-UHFFFAOYSA-N -1 3 342.815 3.742 20 0 EHADHM C/C=C(\C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000820826506 606282886 /nfs/dbraw/zinc/28/28/86/606282886.db2.gz NBZCAVLCTUDWJA-UUILKARUSA-N -1 3 349.394 3.872 20 0 EHADHM C/C=C(\C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000820826506 606282887 /nfs/dbraw/zinc/28/28/87/606282887.db2.gz NBZCAVLCTUDWJA-UUILKARUSA-N -1 3 349.394 3.872 20 0 EHADHM Clc1ccc2oc(C=Cc3cc(-c4nnn[n-]4)cs3)nc2c1 ZINC000822581142 606303748 /nfs/dbraw/zinc/30/37/48/606303748.db2.gz BYDXOMNYISQPTG-RQOWECAXSA-N -1 3 329.772 3.893 20 0 EHADHM Clc1ccc2oc(C=Cc3cc(-c4nn[n-]n4)cs3)nc2c1 ZINC000822581142 606303750 /nfs/dbraw/zinc/30/37/50/606303750.db2.gz BYDXOMNYISQPTG-RQOWECAXSA-N -1 3 329.772 3.893 20 0 EHADHM CCC(CC)N(CC(C)C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820898323 606382002 /nfs/dbraw/zinc/38/20/02/606382002.db2.gz ZDPJQURGVVKZON-UHFFFAOYSA-N -1 3 348.426 3.684 20 0 EHADHM CCC(CC)N(CC(C)C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820898323 606382003 /nfs/dbraw/zinc/38/20/03/606382003.db2.gz ZDPJQURGVVKZON-UHFFFAOYSA-N -1 3 348.426 3.684 20 0 EHADHM Clc1ccc2oc(C=Cc3ccc(-c4nnn[n-]4)s3)nc2c1 ZINC000822581393 606389128 /nfs/dbraw/zinc/38/91/28/606389128.db2.gz HCROMRADRVCUCS-UTCJRWHESA-N -1 3 329.772 3.893 20 0 EHADHM CC1CC(C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)C1 ZINC000820648670 606621799 /nfs/dbraw/zinc/62/17/99/606621799.db2.gz FEQSKCCNNWBSPO-UHFFFAOYSA-N -1 3 339.424 3.580 20 0 EHADHM CC1CC(C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)C1 ZINC000820648670 606621800 /nfs/dbraw/zinc/62/18/00/606621800.db2.gz FEQSKCCNNWBSPO-UHFFFAOYSA-N -1 3 339.424 3.580 20 0 EHADHM c1cc(-c2nc(CNc3cccc(-c4nnn[n-]4)c3)cs2)cs1 ZINC000823757038 606660386 /nfs/dbraw/zinc/66/03/86/606660386.db2.gz JXTKZAXJYJKSAZ-UHFFFAOYSA-N -1 3 340.437 3.664 20 0 EHADHM c1cc(-c2nc(CNc3cccc(-c4nn[n-]n4)c3)cs2)cs1 ZINC000823757038 606660387 /nfs/dbraw/zinc/66/03/87/606660387.db2.gz JXTKZAXJYJKSAZ-UHFFFAOYSA-N -1 3 340.437 3.664 20 0 EHADHM CC[C@H](C)c1ccc(C(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000820882518 606664606 /nfs/dbraw/zinc/66/46/06/606664606.db2.gz SFQXMTGKENPNJL-JTQLQIEISA-N -1 3 327.413 3.694 20 0 EHADHM CC[C@H](C)c1ccc(C(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC000820882518 606664607 /nfs/dbraw/zinc/66/46/07/606664607.db2.gz SFQXMTGKENPNJL-JTQLQIEISA-N -1 3 327.413 3.694 20 0 EHADHM O=C(C=C1CCC1)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000822917734 606672988 /nfs/dbraw/zinc/67/29/88/606672988.db2.gz VZUZGFFJSLVCME-UHFFFAOYSA-N -1 3 337.408 3.644 20 0 EHADHM O=C(C=C1CCC1)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000822917734 606672989 /nfs/dbraw/zinc/67/29/89/606672989.db2.gz VZUZGFFJSLVCME-UHFFFAOYSA-N -1 3 337.408 3.644 20 0 EHADHM Cc1c(NCc2ccc(-c3nnn[n-]3)cc2)cccc1C(F)(F)F ZINC000822123406 606707844 /nfs/dbraw/zinc/70/78/44/606707844.db2.gz ZOWAFMMRZYDJCK-UHFFFAOYSA-N -1 3 333.317 3.806 20 0 EHADHM Cc1c(NCc2ccc(-c3nn[n-]n3)cc2)cccc1C(F)(F)F ZINC000822123406 606707846 /nfs/dbraw/zinc/70/78/46/606707846.db2.gz ZOWAFMMRZYDJCK-UHFFFAOYSA-N -1 3 333.317 3.806 20 0 EHADHM CC(C)Sc1ccccc1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000820183790 606744403 /nfs/dbraw/zinc/74/44/03/606744403.db2.gz LLQKMTSNLOAIKB-UHFFFAOYSA-N -1 3 345.453 3.681 20 0 EHADHM CC(C)Sc1ccccc1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000820183790 606744405 /nfs/dbraw/zinc/74/44/05/606744405.db2.gz LLQKMTSNLOAIKB-UHFFFAOYSA-N -1 3 345.453 3.681 20 0 EHADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(F)ccc1F ZINC000820557503 607013303 /nfs/dbraw/zinc/01/33/03/607013303.db2.gz ZLRVTLNMRHVRHM-SECBINFHSA-N -1 3 346.362 3.508 20 0 EHADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(F)ccc1F ZINC000820557503 607013304 /nfs/dbraw/zinc/01/33/04/607013304.db2.gz ZLRVTLNMRHVRHM-SECBINFHSA-N -1 3 346.362 3.508 20 0 EHADHM C[C@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1Cl ZINC000820428443 607057025 /nfs/dbraw/zinc/05/70/25/607057025.db2.gz XFQSVJZUZDAYTP-VIFPVBQESA-N -1 3 349.772 3.649 20 0 EHADHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1Cl ZINC000820428443 607057027 /nfs/dbraw/zinc/05/70/27/607057027.db2.gz XFQSVJZUZDAYTP-VIFPVBQESA-N -1 3 349.772 3.649 20 0 EHADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000821014924 607194014 /nfs/dbraw/zinc/19/40/14/607194014.db2.gz LXDMJYAUSJPMPC-BBRMVZONSA-N -1 3 342.447 3.608 20 0 EHADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000821014924 607194015 /nfs/dbraw/zinc/19/40/15/607194015.db2.gz LXDMJYAUSJPMPC-BBRMVZONSA-N -1 3 342.447 3.608 20 0 EHADHM CCCCC[C@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821049225 607198146 /nfs/dbraw/zinc/19/81/46/607198146.db2.gz JCFVEQVEOGQMJH-JTQLQIEISA-N -1 3 336.827 3.610 20 0 EHADHM CCCCC[C@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821049225 607198147 /nfs/dbraw/zinc/19/81/47/607198147.db2.gz JCFVEQVEOGQMJH-JTQLQIEISA-N -1 3 336.827 3.610 20 0 EHADHM CN(C(=O)C[C@@H]1CCCCC1(C)C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825818228 607785692 /nfs/dbraw/zinc/78/56/92/607785692.db2.gz XWGRCOCMXOSFIT-ZDUSSCGKSA-N -1 3 345.422 3.575 20 0 EHADHM CN(C(=O)C[C@@H]1CCCCC1(C)C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825818228 607785693 /nfs/dbraw/zinc/78/56/93/607785693.db2.gz XWGRCOCMXOSFIT-ZDUSSCGKSA-N -1 3 345.422 3.575 20 0 EHADHM Fc1ccc2c(c1)[C@@H](Sc1cc(-c3nnn[n-]3)ccn1)CCC2 ZINC000826375783 607809056 /nfs/dbraw/zinc/80/90/56/607809056.db2.gz BMUUZZHQQDJVRN-AWEZNQCLSA-N -1 3 327.388 3.571 20 0 EHADHM Fc1ccc2c(c1)[C@@H](Sc1cc(-c3nn[n-]n3)ccn1)CCC2 ZINC000826375783 607809057 /nfs/dbraw/zinc/80/90/57/607809057.db2.gz BMUUZZHQQDJVRN-AWEZNQCLSA-N -1 3 327.388 3.571 20 0 EHADHM CC(C)(CCC(=O)Nc1sccc1-c1nnn[n-]1)c1ccccc1 ZINC000824152916 607826314 /nfs/dbraw/zinc/82/63/14/607826314.db2.gz STLNLKDDOVFZCM-UHFFFAOYSA-N -1 3 341.440 3.625 20 0 EHADHM CC(C)(CCC(=O)Nc1sccc1-c1nn[n-]n1)c1ccccc1 ZINC000824152916 607826315 /nfs/dbraw/zinc/82/63/15/607826315.db2.gz STLNLKDDOVFZCM-UHFFFAOYSA-N -1 3 341.440 3.625 20 0 EHADHM Clc1ccccc1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826353332 607838335 /nfs/dbraw/zinc/83/83/35/607838335.db2.gz LAQGUJPCGABIIB-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM Clc1ccccc1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826353332 607838336 /nfs/dbraw/zinc/83/83/36/607838336.db2.gz LAQGUJPCGABIIB-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM c1ccc([C@@H]2CCCN2c2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000826520404 607839797 /nfs/dbraw/zinc/83/97/97/607839797.db2.gz IJMSVUARCPDOKT-SFHVURJKSA-N -1 3 342.406 3.756 20 0 EHADHM c1ccc([C@@H]2CCCN2c2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000826520404 607839798 /nfs/dbraw/zinc/83/97/98/607839798.db2.gz IJMSVUARCPDOKT-SFHVURJKSA-N -1 3 342.406 3.756 20 0 EHADHM Brc1ccc(/C=C/CCn2ccc(-c3nnn[n-]3)c2)cc1 ZINC000823826522 607890804 /nfs/dbraw/zinc/89/08/04/607890804.db2.gz KSGQSNFMRPDZOE-HNQUOIGGSA-N -1 3 344.216 3.534 20 0 EHADHM Brc1ccc(/C=C/CCn2ccc(-c3nn[n-]n3)c2)cc1 ZINC000823826522 607890805 /nfs/dbraw/zinc/89/08/05/607890805.db2.gz KSGQSNFMRPDZOE-HNQUOIGGSA-N -1 3 344.216 3.534 20 0 EHADHM CCc1nc2sccc2c(Oc2ccc(-c3nnn[n-]3)cc2C)n1 ZINC000825750555 607965431 /nfs/dbraw/zinc/96/54/31/607965431.db2.gz SDKMLVPBLTZTBA-UHFFFAOYSA-N -1 3 338.396 3.535 20 0 EHADHM CCc1nc2sccc2c(Oc2ccc(-c3nn[n-]n3)cc2C)n1 ZINC000825750555 607965432 /nfs/dbraw/zinc/96/54/32/607965432.db2.gz SDKMLVPBLTZTBA-UHFFFAOYSA-N -1 3 338.396 3.535 20 0 EHADHM CC(C)c1ccc([C@H]2CCCN2c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000824347545 607968424 /nfs/dbraw/zinc/96/84/24/607968424.db2.gz CSEPSEAPTKRGKN-QGZVFWFLSA-N -1 3 334.427 3.727 20 0 EHADHM CC(C)c1ccc([C@H]2CCCN2c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000824347545 607968425 /nfs/dbraw/zinc/96/84/25/607968425.db2.gz CSEPSEAPTKRGKN-QGZVFWFLSA-N -1 3 334.427 3.727 20 0 EHADHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(F)c(F)c1 ZINC000825351760 607974736 /nfs/dbraw/zinc/97/47/36/607974736.db2.gz IRPCFCZNPWVIGO-UHFFFAOYSA-N -1 3 340.337 3.572 20 0 EHADHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(F)c(F)c1 ZINC000825351760 607974737 /nfs/dbraw/zinc/97/47/37/607974737.db2.gz IRPCFCZNPWVIGO-UHFFFAOYSA-N -1 3 340.337 3.572 20 0 EHADHM c1sc(C2CC2)nc1CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000826514392 607985017 /nfs/dbraw/zinc/98/50/17/607985017.db2.gz QDJBKXXJMREFDA-UHFFFAOYSA-N -1 3 329.454 3.634 20 0 EHADHM c1sc(C2CC2)nc1CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000826514392 607985018 /nfs/dbraw/zinc/98/50/18/607985018.db2.gz QDJBKXXJMREFDA-UHFFFAOYSA-N -1 3 329.454 3.634 20 0 EHADHM CC(C)(C)[C@@H]1C[C@H](Nc2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000824077939 608149439 /nfs/dbraw/zinc/14/94/39/608149439.db2.gz FTXKHAVPHRQKBX-RISCZKNCSA-N -1 3 335.839 3.526 20 0 EHADHM CC(C)(C)[C@@H]1C[C@H](Nc2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000824077939 608149440 /nfs/dbraw/zinc/14/94/40/608149440.db2.gz FTXKHAVPHRQKBX-RISCZKNCSA-N -1 3 335.839 3.526 20 0 EHADHM CC(C)(C)[C@@H]1C[C@H](Nc2c(Cl)cccc2-c2nnn[n-]2)CCO1 ZINC000824079006 608149586 /nfs/dbraw/zinc/14/95/86/608149586.db2.gz MAWJAMIGVGXBGE-MFKMUULPSA-N -1 3 335.839 3.526 20 0 EHADHM CC(C)(C)[C@@H]1C[C@H](Nc2c(Cl)cccc2-c2nn[n-]n2)CCO1 ZINC000824079006 608149587 /nfs/dbraw/zinc/14/95/87/608149587.db2.gz MAWJAMIGVGXBGE-MFKMUULPSA-N -1 3 335.839 3.526 20 0 EHADHM CCN(Cc1c(F)cccc1F)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825428932 608156344 /nfs/dbraw/zinc/15/63/44/608156344.db2.gz VPLVAMNVNLIGIB-LBPRGKRZSA-N -1 3 343.381 3.728 20 0 EHADHM COc1cccc([C@H](C)Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000826214200 608223592 /nfs/dbraw/zinc/22/35/92/608223592.db2.gz DFERHCHMXYXSCT-LBPRGKRZSA-N -1 3 346.394 3.597 20 0 EHADHM COc1cccc([C@H](C)Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC000826214200 608223594 /nfs/dbraw/zinc/22/35/94/608223594.db2.gz DFERHCHMXYXSCT-LBPRGKRZSA-N -1 3 346.394 3.597 20 0 EHADHM Fc1cccc(CSCc2cccc(-c3nnn[n-]3)c2F)c1F ZINC000826377322 608404578 /nfs/dbraw/zinc/40/45/78/608404578.db2.gz MVDUJDDMULVEEB-UHFFFAOYSA-N -1 3 336.342 3.717 20 0 EHADHM Fc1cccc(CSCc2cccc(-c3nn[n-]n3)c2F)c1F ZINC000826377322 608404580 /nfs/dbraw/zinc/40/45/80/608404580.db2.gz MVDUJDDMULVEEB-UHFFFAOYSA-N -1 3 336.342 3.717 20 0 EHADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N(C)Cc1cc(Cl)ccc1F ZINC000824764191 608523387 /nfs/dbraw/zinc/52/33/87/608523387.db2.gz UEYRPNGQBKZBPT-LLVKDONJSA-N -1 3 345.809 3.852 20 0 EHADHM C[C@@H](c1ccccc1Cl)N(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC000824770140 608523833 /nfs/dbraw/zinc/52/38/33/608523833.db2.gz FLNKYMWTDPIROU-JTQLQIEISA-N -1 3 333.848 3.775 20 0 EHADHM C[C@@H](c1ccccc1Cl)N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC000824770140 608523836 /nfs/dbraw/zinc/52/38/36/608523836.db2.gz FLNKYMWTDPIROU-JTQLQIEISA-N -1 3 333.848 3.775 20 0 EHADHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1ccc(Cl)cc1 ZINC000825480727 609179057 /nfs/dbraw/zinc/17/90/57/609179057.db2.gz HZXYUDGYSKCZKK-UHFFFAOYSA-N -1 3 328.807 3.564 20 0 EHADHM FCc1ccc(CSCc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000826370547 609185724 /nfs/dbraw/zinc/18/57/24/609185724.db2.gz YBZIWPDMKQSKKX-UHFFFAOYSA-N -1 3 332.379 3.909 20 0 EHADHM FCc1ccc(CSCc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000826370547 609185725 /nfs/dbraw/zinc/18/57/25/609185725.db2.gz YBZIWPDMKQSKKX-UHFFFAOYSA-N -1 3 332.379 3.909 20 0 EHADHM Fc1ccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1F ZINC000826375441 609253532 /nfs/dbraw/zinc/25/35/32/609253532.db2.gz NUHRZPAMCATKSQ-MRXNPFEDSA-N -1 3 327.338 3.634 20 0 EHADHM Fc1ccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1F ZINC000826375441 609253533 /nfs/dbraw/zinc/25/35/33/609253533.db2.gz NUHRZPAMCATKSQ-MRXNPFEDSA-N -1 3 327.338 3.634 20 0 EHADHM COc1ccc(F)cc1N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826208817 609253839 /nfs/dbraw/zinc/25/38/39/609253839.db2.gz AYTCSSCUUWBMIN-OAHLLOKOSA-N -1 3 339.374 3.504 20 0 EHADHM COc1ccc(F)cc1N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826208817 609253840 /nfs/dbraw/zinc/25/38/40/609253840.db2.gz AYTCSSCUUWBMIN-OAHLLOKOSA-N -1 3 339.374 3.504 20 0 EHADHM Cc1ccc2cccc(N[C@H](C)c3cccc(-c4nnn[n-]4)c3)c2n1 ZINC000826294792 609274678 /nfs/dbraw/zinc/27/46/78/609274678.db2.gz CSGJCFKAZVFFTK-CYBMUJFWSA-N -1 3 330.395 3.896 20 0 EHADHM Cc1ccc2cccc(N[C@H](C)c3cccc(-c4nn[n-]n4)c3)c2n1 ZINC000826294792 609274679 /nfs/dbraw/zinc/27/46/79/609274679.db2.gz CSGJCFKAZVFFTK-CYBMUJFWSA-N -1 3 330.395 3.896 20 0 EHADHM C[C@@H](N[C@H](C)c1cccc(F)c1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824530929 609344878 /nfs/dbraw/zinc/34/48/78/609344878.db2.gz NGAGXACNBYWTMG-NXEZZACHSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@@H](N[C@H](C)c1cccc(F)c1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000824530929 609344880 /nfs/dbraw/zinc/34/48/80/609344880.db2.gz NGAGXACNBYWTMG-NXEZZACHSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@@H](Nc1ccc(F)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824658010 609349174 /nfs/dbraw/zinc/34/91/74/609349174.db2.gz UAEZERUTQYHFMQ-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@@H](Nc1ccc(F)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824658010 609349176 /nfs/dbraw/zinc/34/91/76/609349176.db2.gz UAEZERUTQYHFMQ-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM CC1(C)CC[C@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)C1 ZINC000824795694 609370338 /nfs/dbraw/zinc/37/03/38/609370338.db2.gz CBZFXQMYASPZOO-JTQLQIEISA-N -1 3 345.472 3.572 20 0 EHADHM CC1(C)CC[C@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C1 ZINC000824795694 609370340 /nfs/dbraw/zinc/37/03/40/609370340.db2.gz CBZFXQMYASPZOO-JTQLQIEISA-N -1 3 345.472 3.572 20 0 EHADHM Fc1ccc(-c2nnn[n-]2)cc1CNc1csc2ccccc12 ZINC000826373427 609440049 /nfs/dbraw/zinc/44/00/49/609440049.db2.gz LVSDJZNBXFGJIT-UHFFFAOYSA-N -1 3 325.372 3.833 20 0 EHADHM Fc1ccc(-c2nn[n-]n2)cc1CNc1csc2ccccc12 ZINC000826373427 609440050 /nfs/dbraw/zinc/44/00/50/609440050.db2.gz LVSDJZNBXFGJIT-UHFFFAOYSA-N -1 3 325.372 3.833 20 0 EHADHM CS[C@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)C(C)(C)C ZINC000826225666 609590538 /nfs/dbraw/zinc/59/05/38/609590538.db2.gz HXHDMVJHGZQZTA-CQSZACIVSA-N -1 3 342.472 3.605 20 0 EHADHM CS[C@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)C(C)(C)C ZINC000826225666 609590539 /nfs/dbraw/zinc/59/05/39/609590539.db2.gz HXHDMVJHGZQZTA-CQSZACIVSA-N -1 3 342.472 3.605 20 0 EHADHM CS[C@@H](CNc1nc2ccccc2cc1-c1nnn[n-]1)C(C)(C)C ZINC000826226245 609591414 /nfs/dbraw/zinc/59/14/14/609591414.db2.gz VPAFZDPMNLMHNN-AWEZNQCLSA-N -1 3 342.472 3.605 20 0 EHADHM CS[C@@H](CNc1nc2ccccc2cc1-c1nn[n-]n1)C(C)(C)C ZINC000826226245 609591417 /nfs/dbraw/zinc/59/14/17/609591417.db2.gz VPAFZDPMNLMHNN-AWEZNQCLSA-N -1 3 342.472 3.605 20 0 EHADHM Fc1cc(-c2nnn[n-]2)ccc1SCc1cccc2cccnc21 ZINC000737645472 945106885 /nfs/dbraw/zinc/10/68/85/945106885.db2.gz ZPHWQJOSPVYYAL-UHFFFAOYSA-N -1 3 337.383 3.846 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1SCc1cccc2cccnc21 ZINC000737645472 945106893 /nfs/dbraw/zinc/10/68/93/945106893.db2.gz ZPHWQJOSPVYYAL-UHFFFAOYSA-N -1 3 337.383 3.846 20 0 EHADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc2ccccc2c1 ZINC000084579742 944607047 /nfs/dbraw/zinc/60/70/47/944607047.db2.gz JZNFVJUBWQCYKQ-CYBMUJFWSA-N -1 3 343.390 3.762 20 0 EHADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc2ccccc2c1 ZINC000084579742 944607053 /nfs/dbraw/zinc/60/70/53/944607053.db2.gz JZNFVJUBWQCYKQ-CYBMUJFWSA-N -1 3 343.390 3.762 20 0 EHADHM C[C@H](NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000824868318 946961447 /nfs/dbraw/zinc/96/14/47/946961447.db2.gz UVIJSZZWBMCXOE-WWGRRREGSA-N -1 3 341.459 3.506 20 0 EHADHM C[C@H](NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824868318 946961453 /nfs/dbraw/zinc/96/14/53/946961453.db2.gz UVIJSZZWBMCXOE-WWGRRREGSA-N -1 3 341.459 3.506 20 0 EHADHM Cc1ccnc(N[C@H](C)c2ccc(OC(C)C)cc2)c1-c1nnn[n-]1 ZINC000826311942 947903954 /nfs/dbraw/zinc/90/39/54/947903954.db2.gz REMJRLKDGHCNTR-CYBMUJFWSA-N -1 3 338.415 3.530 20 0 EHADHM Cc1ccnc(N[C@H](C)c2ccc(OC(C)C)cc2)c1-c1nn[n-]n1 ZINC000826311942 947903963 /nfs/dbraw/zinc/90/39/63/947903963.db2.gz REMJRLKDGHCNTR-CYBMUJFWSA-N -1 3 338.415 3.530 20 0 EHADHM Cc1ccnc(N[C@H](C)c2c(F)cccc2Cl)c1-c1nnn[n-]1 ZINC000826311917 947905377 /nfs/dbraw/zinc/90/53/77/947905377.db2.gz QSSODFHAPKRDNN-SECBINFHSA-N -1 3 332.770 3.536 20 0 EHADHM Cc1ccnc(N[C@H](C)c2c(F)cccc2Cl)c1-c1nn[n-]n1 ZINC000826311917 947905384 /nfs/dbraw/zinc/90/53/84/947905384.db2.gz QSSODFHAPKRDNN-SECBINFHSA-N -1 3 332.770 3.536 20 0 EHADHM CC[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1)C1CCC(C)CC1 ZINC001464616928 948529782 /nfs/dbraw/zinc/52/97/82/948529782.db2.gz CMCYLECDRRFZCI-ZUEPYMLJSA-N -1 3 327.432 3.658 20 0 EHADHM CC[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)C1CCC(C)CC1 ZINC001464616928 948529786 /nfs/dbraw/zinc/52/97/86/948529786.db2.gz CMCYLECDRRFZCI-ZUEPYMLJSA-N -1 3 327.432 3.658 20 0 EHADHM CC(C)c1ccc(C(=O)NC(C)(C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001574416396 948746008 /nfs/dbraw/zinc/74/60/08/948746008.db2.gz UDEDFVFJPKSLRX-UHFFFAOYSA-N -1 3 349.438 3.655 20 0 EHADHM CC(C)c1ccc(C(=O)NC(C)(C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001574416396 948746014 /nfs/dbraw/zinc/74/60/14/948746014.db2.gz UDEDFVFJPKSLRX-UHFFFAOYSA-N -1 3 349.438 3.655 20 0 EHADHM CC(C)c1cccc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC001574419642 948788001 /nfs/dbraw/zinc/78/80/01/948788001.db2.gz HVLGNZCHZDMKTJ-CYBMUJFWSA-N -1 3 336.395 3.908 20 0 EHADHM CC(C)c1cccc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC001574419642 948788010 /nfs/dbraw/zinc/78/80/10/948788010.db2.gz HVLGNZCHZDMKTJ-CYBMUJFWSA-N -1 3 336.395 3.908 20 0 EHADHM CC[C@@H](c1ccccc1)N1CCN(Cc2cccc(C(=O)[O-])c2)CC1 ZINC001589586260 949052595 /nfs/dbraw/zinc/05/25/95/949052595.db2.gz RLUACTYWNBZRMP-FQEVSTJZSA-N -1 3 338.451 3.654 20 0 EHADHM C[C@@H](c1ccccc1Br)N1CCC[C@H](CC(=O)[O-])C1 ZINC000086757132 949063057 /nfs/dbraw/zinc/06/30/57/949063057.db2.gz SNJSIAPCMKXUQS-NWDGAFQWSA-N -1 3 326.234 3.697 20 0 EHADHM C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)C1 ZINC001576151338 949223736 /nfs/dbraw/zinc/22/37/36/949223736.db2.gz GOSINLBDSCVTIV-BXUZGUMPSA-N -1 3 325.416 3.509 20 0 EHADHM C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)C1 ZINC001576151338 949223763 /nfs/dbraw/zinc/22/37/63/949223763.db2.gz GOSINLBDSCVTIV-BXUZGUMPSA-N -1 3 325.416 3.509 20 0 EHADHM Cc1sc(CN2CCC[C@H](CC(=O)[O-])C2)cc1Br ZINC000227977621 949613881 /nfs/dbraw/zinc/61/38/81/949613881.db2.gz QFPJFOFLRUSQBN-SNVBAGLBSA-N -1 3 332.263 3.506 20 0 EHADHM CC(C)(C)Oc1ccc(NC(=O)C2CCCCC2)cc1-c1nnn[n-]1 ZINC001573876526 950674634 /nfs/dbraw/zinc/67/46/34/950674634.db2.gz PEDBCJZQWBEZRL-UHFFFAOYSA-N -1 3 343.431 3.563 20 0 EHADHM CC(C)(C)Oc1ccc(NC(=O)C2CCCCC2)cc1-c1nn[n-]n1 ZINC001573876526 950674644 /nfs/dbraw/zinc/67/46/44/950674644.db2.gz PEDBCJZQWBEZRL-UHFFFAOYSA-N -1 3 343.431 3.563 20 0 EHADHM CC1(C)C(C)(C)C1(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001575624803 950675474 /nfs/dbraw/zinc/67/54/74/950675474.db2.gz OPHBLUSQLKVBHG-UHFFFAOYSA-N -1 3 333.823 3.531 20 0 EHADHM CC1(C)C(C)(C)C1(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001575624803 950675485 /nfs/dbraw/zinc/67/54/85/950675485.db2.gz OPHBLUSQLKVBHG-UHFFFAOYSA-N -1 3 333.823 3.531 20 0 EHADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(NC[C@@H]2CCc3ccccc32)n1 ZINC001573882155 950773369 /nfs/dbraw/zinc/77/33/69/950773369.db2.gz VJONMHNYRJKFDD-AWEZNQCLSA-N -1 3 348.454 3.701 20 0 EHADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(NC[C@@H]2CCc3ccccc32)n1 ZINC001573882155 950773376 /nfs/dbraw/zinc/77/33/76/950773376.db2.gz VJONMHNYRJKFDD-AWEZNQCLSA-N -1 3 348.454 3.701 20 0 EHADHM CC(C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)C[C@@H](C)C[C@@H]2C ZINC001574184866 950790804 /nfs/dbraw/zinc/79/08/04/950790804.db2.gz PJZYRLCFMXCFCE-QWRGUYRKSA-N -1 3 347.488 3.989 20 0 EHADHM CC(C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)C[C@@H](C)C[C@@H]2C ZINC001574184866 950790814 /nfs/dbraw/zinc/79/08/14/950790814.db2.gz PJZYRLCFMXCFCE-QWRGUYRKSA-N -1 3 347.488 3.989 20 0 EHADHM O=C([O-])c1ccc(CNCc2c[nH]nc2-c2ccc(Cl)cc2)cc1 ZINC000426692965 953491899 /nfs/dbraw/zinc/49/18/99/953491899.db2.gz WYHAIRCRTFJRCN-UHFFFAOYSA-N -1 3 341.798 3.718 20 0 EHADHM C[C@@H]1CCCN(Cc2cc(F)c(C(F)(F)F)cc2F)[C@@H]1C(=O)[O-] ZINC001589334673 953981418 /nfs/dbraw/zinc/98/14/18/953981418.db2.gz RNLKKDLCEDOOBM-OQPBUACISA-N -1 3 337.288 3.669 20 0 EHADHM Cc1cnc(C(C)(C)NCc2cc(=O)[n-]c(-c3ccccc3)n2)s1 ZINC000459397427 1032065336 /nfs/dbraw/zinc/06/53/36/1032065336.db2.gz DNUNFOVAZNHRCE-UHFFFAOYSA-N -1 3 340.452 3.639 20 0 EHADHM O=c1cc(CN[C@@H](CC(F)(F)F)c2ccccc2)nc(C2CC2)[n-]1 ZINC000459397173 1032065455 /nfs/dbraw/zinc/06/54/55/1032065455.db2.gz RHBFBPBSDIWRLR-AWEZNQCLSA-N -1 3 337.345 3.843 20 0 EHADHM Cc1cc(CN2CCC[C@@H](C)[C@H]2C(=O)[O-])c(Br)cc1F ZINC001594303472 957932514 /nfs/dbraw/zinc/93/25/14/957932514.db2.gz RRQCOKRNRPTPFZ-OTYXRUKQSA-N -1 3 344.224 3.582 20 0 EHADHM O=C([O-])c1sccc1CNCc1cc(Br)cs1 ZINC000236480983 960668170 /nfs/dbraw/zinc/66/81/70/960668170.db2.gz WJYKPANQSZKZSZ-UHFFFAOYSA-N -1 3 332.244 3.560 20 0 EHADHM Cc1cccc([C@H](NCc2cccc3c2OC(C)(C)C3)C(=O)[O-])c1 ZINC001574395248 961210230 /nfs/dbraw/zinc/21/02/30/961210230.db2.gz XVGDDPZTZFQCEG-KRWDZBQOSA-N -1 3 325.408 3.624 20 0 EHADHM C[C@@](NCc1ccc(F)c(C(F)(F)F)c1)(C(=O)[O-])c1ccccc1 ZINC001332406018 961558288 /nfs/dbraw/zinc/55/82/88/961558288.db2.gz DWWQNZRVANSOMU-INIZCTEOSA-N -1 3 341.304 3.934 20 0 EHADHM C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000153418035 1125484571 /nfs/dbraw/zinc/48/45/71/1125484571.db2.gz CUBAAPGITNTIAC-IINYFYTJSA-N -1 3 344.798 3.892 20 0 EHADHM O=C([O-])[C@H]1C[C@H](NCc2ccccc2OC(F)F)c2ccccc21 ZINC000417620931 968344778 /nfs/dbraw/zinc/34/47/78/968344778.db2.gz MFCDTAVBLYWMTG-GJZGRUSLSA-N -1 3 333.334 3.691 20 0 EHADHM Cc1ccc(F)cc1CN[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000426721903 974045472 /nfs/dbraw/zinc/04/54/72/974045472.db2.gz DWVCYLJUZBRLRS-HNNXBMFYSA-N -1 3 325.742 3.842 20 0 EHADHM Cc1cc(C)cc([C@@H](NCc2cccc(OC(F)F)c2)C(=O)[O-])c1 ZINC000426763194 974047764 /nfs/dbraw/zinc/04/77/64/974047764.db2.gz QYURLJWNEGEFGA-MRXNPFEDSA-N -1 3 335.350 3.820 20 0 EHADHM COc1ccc(-c2ccncc2)cc1CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000426815405 974048828 /nfs/dbraw/zinc/04/88/28/974048828.db2.gz FLTGKVNLSSWUHU-HXUWFJFHSA-N -1 3 348.402 3.673 20 0 EHADHM O=C([O-])c1sccc1CN1CCC(Oc2cccc(F)c2)CC1 ZINC000530163610 974359335 /nfs/dbraw/zinc/35/93/35/974359335.db2.gz IGHILVFXSPCHTD-UHFFFAOYSA-N -1 3 335.400 3.629 20 0 EHADHM O=C([O-])c1ccc(F)c2c1CN(CCCCc1ccccc1)CC2 ZINC000530167230 974360443 /nfs/dbraw/zinc/36/04/43/974360443.db2.gz BMGXCKBXIWYEDI-UHFFFAOYSA-N -1 3 327.399 3.905 20 0 EHADHM COc1cccc([C@@H]2CCCN2Cc2ccc(F)cc2C(=O)[O-])c1 ZINC000563277019 974524299 /nfs/dbraw/zinc/52/42/99/974524299.db2.gz BEGATPXKTVNIQH-SFHVURJKSA-N -1 3 329.371 3.870 20 0 EHADHM O=C([O-])C1CCN(Cc2cccc3c(Br)cccc23)CC1 ZINC000564801226 974553388 /nfs/dbraw/zinc/55/33/88/974553388.db2.gz FDYHATLOEFTINR-UHFFFAOYSA-N -1 3 348.240 3.899 20 0 EHADHM CC(C)c1ccc(CC2CCN(Cc3oncc3C(=O)[O-])CC2)cc1 ZINC000573615966 974767804 /nfs/dbraw/zinc/76/78/04/974767804.db2.gz DXGAJGMCJJSTAM-UHFFFAOYSA-N -1 3 342.439 3.951 20 0 EHADHM O=C([O-])c1cnoc1CN1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000573927526 974773297 /nfs/dbraw/zinc/77/32/97/974773297.db2.gz OKTXTGHEOBABRP-SIFUEBAJSA-N -1 3 326.396 3.831 20 0 EHADHM CCO[C@H]1C[C@@H](N(C)Cc2ccc(C(=O)[O-])cc2F)C1(CC)CC ZINC000575755304 974800875 /nfs/dbraw/zinc/80/08/75/974800875.db2.gz JNAFRLVLMAYDSP-SJORKVTESA-N -1 3 337.435 3.940 20 0 EHADHM CCOc1ccc(-c2nc(CN3CCC[C@H]3CC(=O)[O-])cs2)cc1 ZINC000577642756 974840109 /nfs/dbraw/zinc/84/01/09/974840109.db2.gz UCPNHOLTJFNACI-HNNXBMFYSA-N -1 3 346.452 3.648 20 0 EHADHM COC[C@@H](C)N(Cc1ccc(C(=O)[O-])o1)[C@@H]1CCc2ccccc21 ZINC000629376640 975091168 /nfs/dbraw/zinc/09/11/68/975091168.db2.gz YVJMONKGRLFMTG-CXAGYDPISA-N -1 3 329.396 3.502 20 0 EHADHM CC(C)O[C@H]1C[C@@H](NCc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1 ZINC001591737097 975731709 /nfs/dbraw/zinc/73/17/09/975731709.db2.gz GKWJYOUQAHOMIT-WOVMCDHWSA-N -1 3 329.396 3.690 20 0 EHADHM O=C([O-])[C@H](c1ccc(Cl)c(Cl)c1)N1CC[C@@]2(C1)CCCOC2 ZINC000659797815 975889147 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O=C(c1c([O-])cccc1O)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000770401388 1133423290 /nfs/dbraw/zinc/42/32/90/1133423290.db2.gz GSIGALSBSHLWLY-UHFFFAOYSA-N -1 3 336.391 3.599 20 0 EHADHM O=C(Cc1ccc(Cl)cc1C(F)(F)F)Nc1cncc([O-])c1 ZINC001181695575 1133518467 /nfs/dbraw/zinc/51/84/67/1133518467.db2.gz ZPKVKUULAHYMFR-UHFFFAOYSA-N -1 3 330.693 3.641 20 0 EHADHM CSCc1cccc(NC(=O)c2c[n-]c3ccc(C)cc3c2=O)c1 ZINC001182636367 1133708366 /nfs/dbraw/zinc/70/83/66/1133708366.db2.gz HUIUTSZNQBTTBK-UHFFFAOYSA-N -1 3 338.432 3.952 20 0 EHADHM CCCCOc1ccc(C(=O)NCc2cccc3cc[nH]c32)c([O-])c1 ZINC001183193640 1133777660 /nfs/dbraw/zinc/77/76/60/1133777660.db2.gz OUTBWHALFLXCDV-UHFFFAOYSA-N -1 3 338.407 3.982 20 0 EHADHM Cc1c2ccccc2sc1CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001183241832 1133784634 /nfs/dbraw/zinc/78/46/34/1133784634.db2.gz TYACYDVZJXXUTL-UHFFFAOYSA-N -1 3 340.330 3.528 20 0 EHADHM Cc1c2ccccc2sc1CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001183241832 1133784638 /nfs/dbraw/zinc/78/46/38/1133784638.db2.gz 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COc1cccc(Cl)c1[N-]S(=O)(=O)c1cccc(F)c1C ZINC001185836239 1134139351 /nfs/dbraw/zinc/13/93/51/1134139351.db2.gz KDUDOTNIVCQKQQ-UHFFFAOYSA-N -1 3 329.780 3.597 20 0 EHADHM Clc1ccc([C@H]2CCCCC[C@@H]2N=c2ncnc3[nH][n-]cc2-3)cc1 ZINC001186422252 1134216633 /nfs/dbraw/zinc/21/66/33/1134216633.db2.gz KXRIVINZPAVCJB-ZBFHGGJFSA-N -1 3 341.846 3.908 20 0 EHADHM Cc1cccc([C@H](C)[N-]S(=O)(=O)c2cc(F)c(C)cc2F)c1C ZINC001186827958 1134263502 /nfs/dbraw/zinc/26/35/02/1134263502.db2.gz INGCYIPNXQHRHP-ZDUSSCGKSA-N -1 3 339.407 3.930 20 0 EHADHM O=C(Nc1cc([O-])cc(Cl)c1)c1ccccc1C(=O)N1CCCC1 ZINC001187139084 1134302497 /nfs/dbraw/zinc/30/24/97/1134302497.db2.gz GNDSEIZPQOQPHL-UHFFFAOYSA-N -1 3 344.798 3.534 20 0 EHADHM O=C(Nc1ccc(Br)cc1[O-])c1nc(Cl)cs1 ZINC000789895725 1134346758 /nfs/dbraw/zinc/34/67/58/1134346758.db2.gz BLVOZLLHSGDTBI-UHFFFAOYSA-N -1 3 333.594 3.517 20 0 EHADHM C[C@H]1CC(C)(C)CC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001187760419 1134381301 /nfs/dbraw/zinc/38/13/01/1134381301.db2.gz 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O=S(=O)([N-]c1cc(O)ccc1F)c1ccc(F)c2ccccc21 ZINC001189385915 1134577864 /nfs/dbraw/zinc/57/78/64/1134577864.db2.gz QOUHAQPGUOWPJK-UHFFFAOYSA-N -1 3 335.331 3.624 20 0 EHADHM Cc1cc(S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F)ccc1Cl ZINC001189402603 1134582832 /nfs/dbraw/zinc/58/28/32/1134582832.db2.gz JSULPZAIXUTKFP-NSHDSACASA-N -1 3 329.771 3.514 20 0 EHADHM C[C@@H](CC[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccccc1 ZINC001189719453 1134613344 /nfs/dbraw/zinc/61/33/44/1134613344.db2.gz OHLXFMABJMXYGU-LBPRGKRZSA-N -1 3 341.835 3.951 20 0 EHADHM COC(=O)c1cccc(NC(=O)c2cc([O-])c3ccccc3c2)c1C ZINC000792052397 1134649941 /nfs/dbraw/zinc/64/99/41/1134649941.db2.gz RUTHZBYSQYNZRU-UHFFFAOYSA-N -1 3 335.359 3.893 20 0 EHADHM COC(=O)c1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1F ZINC000792228959 1134668910 /nfs/dbraw/zinc/66/89/10/1134668910.db2.gz GRWBPKDMLQUHNC-UHFFFAOYSA-N -1 3 339.322 3.723 20 0 EHADHM CC(C)(C)OC(=O)CCCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000792297657 1134677292 /nfs/dbraw/zinc/67/72/92/1134677292.db2.gz 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CSCCO[N-]C(=O)CCCOc1cccc(Cl)c1Cl ZINC000794193314 1135026218 /nfs/dbraw/zinc/02/62/18/1135026218.db2.gz KIUUSWRXSAZKPK-UHFFFAOYSA-N -1 3 338.256 3.563 20 0 EHADHM Cc1ccc([C@H](O)[C@@H](C)NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000804485987 1135086260 /nfs/dbraw/zinc/08/62/60/1135086260.db2.gz ZBCDAGRVNAIXSE-JLTOFOAXSA-N -1 3 335.403 3.706 20 0 EHADHM CCCc1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)sc1C ZINC001129729549 1135146464 /nfs/dbraw/zinc/14/64/64/1135146464.db2.gz YZHJOCCEBBFAPT-UHFFFAOYSA-N -1 3 345.403 3.581 20 0 EHADHM CCCc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)sc1C ZINC001129729549 1135146467 /nfs/dbraw/zinc/14/64/67/1135146467.db2.gz YZHJOCCEBBFAPT-UHFFFAOYSA-N -1 3 345.403 3.581 20 0 EHADHM Cc1nc2cc(Cl)c(NC(=O)c3c(C)cc(O)cc3[O-])cc2o1 ZINC001193936223 1135200873 /nfs/dbraw/zinc/20/08/73/1135200873.db2.gz KVMGBWPARCAKTI-UHFFFAOYSA-N -1 3 332.743 3.762 20 0 EHADHM Cc1cc(O)cc([O-])c1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC001193935726 1135201045 /nfs/dbraw/zinc/20/10/45/1135201045.db2.gz BCGNKZPEZKERRF-UHFFFAOYSA-N -1 3 343.713 3.913 20 0 EHADHM Nc1ccccc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1F ZINC001193933041 1135201685 /nfs/dbraw/zinc/20/16/85/1135201685.db2.gz XPXHQORCFBENIL-UHFFFAOYSA-N -1 3 335.187 3.516 20 0 EHADHM Cc1cc(O)cc([O-])c1C(=O)Nc1cnc2cc(Cl)ccc2c1 ZINC001193922717 1135205202 /nfs/dbraw/zinc/20/52/02/1135205202.db2.gz OEWGMELVJYMPHK-UHFFFAOYSA-N -1 3 328.755 3.860 20 0 EHADHM Cc1coc(C(=O)[N-]c2nsc(Cc3ccc(F)cc3)n2)c1C ZINC001130060695 1135228313 /nfs/dbraw/zinc/22/83/13/1135228313.db2.gz PMOIMORJEJGPGC-UHFFFAOYSA-N -1 3 331.372 3.730 20 0 EHADHM CSc1cncc(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC001194090612 1135230571 /nfs/dbraw/zinc/23/05/71/1135230571.db2.gz CLLIWYUMXMKGNR-UHFFFAOYSA-N -1 3 339.214 3.524 20 0 EHADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC001194603394 1135291587 /nfs/dbraw/zinc/29/15/87/1135291587.db2.gz VPKSXWCCOXNGLB-UHFFFAOYSA-N -1 3 340.242 3.867 20 0 EHADHM O=S(=O)([N-]CCCC(F)F)c1cc2cc(Cl)ccc2s1 ZINC001194613187 1135299245 /nfs/dbraw/zinc/29/92/45/1135299245.db2.gz FRKHPAFHONIGMT-UHFFFAOYSA-N -1 3 339.816 3.878 20 0 EHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCc3ccccc32)c(F)cc1F ZINC001195661320 1135453398 /nfs/dbraw/zinc/45/33/98/1135453398.db2.gz NLEFWYQYKBOCGN-MRXNPFEDSA-N -1 3 337.391 3.629 20 0 EHADHM O=S(=O)([N-]c1ccc(SC(F)(F)F)cc1)c1ccc(O)cc1 ZINC001195794951 1135470380 /nfs/dbraw/zinc/47/03/80/1135470380.db2.gz PTWKECJLSQNGPH-UHFFFAOYSA-N -1 3 349.355 3.805 20 0 EHADHM O=S(=O)(Nc1ccc(N2CCCCCC2)cc1)c1ccc([O-])cc1 ZINC001195794858 1135470541 /nfs/dbraw/zinc/47/05/41/1135470541.db2.gz KXJSCDNOYHNMRW-UHFFFAOYSA-N -1 3 346.452 3.573 20 0 EHADHM O=S(=O)(Nc1c(F)cc(Cl)cc1Cl)c1ccc([O-])cc1 ZINC001195805259 1135473245 /nfs/dbraw/zinc/47/32/45/1135473245.db2.gz CNPGYNCJFZXVFD-UHFFFAOYSA-N -1 3 336.171 3.639 20 0 EHADHM C[C@H](NS(=O)(=O)c1ccc([O-])cc1)c1cc(Cl)cc(Cl)c1 ZINC001195825617 1135477689 /nfs/dbraw/zinc/47/76/89/1135477689.db2.gz VLLADVNZASNPCX-VIFPVBQESA-N -1 3 346.235 3.739 20 0 EHADHM O=S(=O)(N[C@@H](CC1CCC1)c1ccc(F)cc1)c1ccc([O-])cc1 ZINC001195836260 1135478814 /nfs/dbraw/zinc/47/88/14/1135478814.db2.gz VGXHDWMTLGVTBG-SFHVURJKSA-N -1 3 349.427 3.741 20 0 EHADHM CCc1c([N-]C(=O)c2scnc2Cl)onc1C(F)(F)F ZINC000807271095 1135532148 /nfs/dbraw/zinc/53/21/48/1135532148.db2.gz KJFTVUQBFMAZHP-UHFFFAOYSA-N -1 3 325.699 3.618 20 0 EHADHM O=S(=O)([N-][C@H](CC1CC1)c1ccccc1)c1ccc(Cl)cn1 ZINC001196266992 1135537809 /nfs/dbraw/zinc/53/78/09/1135537809.db2.gz YYWQTNXPRRIOOB-OAHLLOKOSA-N -1 3 336.844 3.555 20 0 EHADHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)n1 ZINC000808789614 1135737975 /nfs/dbraw/zinc/73/79/75/1135737975.db2.gz UAXSQJYVLDOTKO-RYGJVYDSSA-N -1 3 349.434 3.616 20 0 EHADHM CC(C)(C)c1ccc(NC(=S)Nc2cc(=O)[n-]c(=S)[nH]2)cc1 ZINC001198467682 1135818809 /nfs/dbraw/zinc/81/88/09/1135818809.db2.gz KYIFIHVOZYVBRW-UHFFFAOYSA-N -1 3 334.470 3.577 20 0 EHADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cncn1-c1ccc(F)cc1 ZINC001198715878 1135851885 /nfs/dbraw/zinc/85/18/85/1135851885.db2.gz LTBNNNQDBOZFRP-UHFFFAOYSA-N -1 3 331.734 3.623 20 0 EHADHM Cc1cc(F)c(C(=O)COC(=O)c2cccc(Cl)c2[O-])cc1F ZINC000775931330 1135878441 /nfs/dbraw/zinc/87/84/41/1135878441.db2.gz VWCTVNKBUWDXTN-UHFFFAOYSA-N -1 3 340.709 3.672 20 0 EHADHM O=C(COC(=O)c1cccc(Cl)c1[O-])c1ccc(Cl)s1 ZINC000775933965 1135878740 /nfs/dbraw/zinc/87/87/40/1135878740.db2.gz RRURCLGSTLHODI-UHFFFAOYSA-N -1 3 331.176 3.800 20 0 EHADHM Cc1nc2sc3c(c2c(NCc2ccc([O-])c(F)c2)n1)CCC3 ZINC000348223558 1135935798 /nfs/dbraw/zinc/93/57/98/1135935798.db2.gz UELQINQPQDLANB-UHFFFAOYSA-N -1 3 329.400 3.945 20 0 EHADHM O=c1cc(NC(=S)NC2CCCCCC2)[n-]n1-c1ccccc1 ZINC001199962493 1135941304 /nfs/dbraw/zinc/94/13/04/1135941304.db2.gz PPBWBGFMARDCMJ-UHFFFAOYSA-N -1 3 330.457 3.587 20 0 EHADHM CCCCCCNC(=S)NCc1cc(Cl)c([O-])c(OC)c1 ZINC001200959825 1135968556 /nfs/dbraw/zinc/96/85/56/1135968556.db2.gz GQFJYOXIWUDKCD-UHFFFAOYSA-N -1 3 330.881 3.599 20 0 EHADHM O=C(OC1CCN(CC(F)F)CC1)c1cc2cc(Cl)sc2[n-]1 ZINC000810662302 1135995652 /nfs/dbraw/zinc/99/56/52/1135995652.db2.gz IVJQPMIWEZJTLD-UHFFFAOYSA-N -1 3 348.802 3.769 20 0 EHADHM COC(=O)[C@H]1CCC[C@@H](OC(=O)c2cc3cc(Cl)sc3[n-]2)C1 ZINC000810706695 1135999406 /nfs/dbraw/zinc/99/94/06/1135999406.db2.gz SMXWEKNKABWPMF-WCBMZHEXSA-N -1 3 341.816 3.771 20 0 EHADHM O=C(CCCCc1ccc(Cl)cc1)N1CCCc2c(=O)[n-]cnc21 ZINC001132572724 1136038884 /nfs/dbraw/zinc/03/88/84/1136038884.db2.gz MBQDCFMJYSEFQM-UHFFFAOYSA-N -1 3 345.830 3.528 20 0 EHADHM CC(C)n1cc2c(n1)[C@H](NC(=O)c1cc([O-])ccc1Cl)CCC2 ZINC000811083939 1136042161 /nfs/dbraw/zinc/04/21/61/1136042161.db2.gz DZFYNMNQUSNMTH-OAHLLOKOSA-N -1 3 333.819 3.630 20 0 EHADHM CCC(CC)NC(=O)[C@H](C)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811395046 1136082121 /nfs/dbraw/zinc/08/21/21/1136082121.db2.gz SGBZEXPJHPEJAI-QMMMGPOBSA-N -1 3 342.848 3.733 20 0 EHADHM CC(C)c1nnc(COC(=O)c2cc3cc(Cl)sc3[n-]2)o1 ZINC000811394521 1136082266 /nfs/dbraw/zinc/08/22/66/1136082266.db2.gz DXKAJIWZVMDNLC-UHFFFAOYSA-N -1 3 325.777 3.746 20 0 EHADHM CC(C)[C@H](NC(=O)c1cc([O-])ccc1Cl)[C@H](O)c1ccccc1 ZINC000811474735 1136096614 /nfs/dbraw/zinc/09/66/14/1136096614.db2.gz RGYOPJVFOFEIHO-DLBZAZTESA-N -1 3 333.815 3.534 20 0 EHADHM O=C([N-]c1nocc1C1CC1)c1cc(F)cc(Br)c1F ZINC001133060577 1136150005 /nfs/dbraw/zinc/15/00/05/1136150005.db2.gz IFPQFYLGIQCLTQ-UHFFFAOYSA-N -1 3 343.127 3.845 20 0 EHADHM CC1=CC[C@@](C)(C(=O)OCc2noc(-c3ccccc3[O-])n2)CC1 ZINC000850098007 1136210556 /nfs/dbraw/zinc/21/05/56/1136210556.db2.gz OYRRHILUGGLKJZ-GOSISDBHSA-N -1 3 328.368 3.622 20 0 EHADHM O=C(CCc1cc(Cl)ccc1Br)[N-]OC1CCC1 ZINC000812792357 1136246330 /nfs/dbraw/zinc/24/63/30/1136246330.db2.gz WKHGYABOLGJFFA-UHFFFAOYSA-N -1 3 332.625 3.635 20 0 EHADHM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(C)c2)c1 ZINC000747860351 1136347054 /nfs/dbraw/zinc/34/70/54/1136347054.db2.gz VPEUTLYGQYFSDU-UHFFFAOYSA-N -1 3 348.443 3.844 20 0 EHADHM C[C@@H]1CC[C@](C)(C=CC(=O)Nc2nnc(C(F)(F)F)[n-]2)C1(C)C ZINC001133907017 1136358761 /nfs/dbraw/zinc/35/87/61/1136358761.db2.gz KHQLRMXYXRNWMI-JGTLHMHFSA-N -1 3 330.354 3.781 20 0 EHADHM C[C@@H]1CC[C@](C)(C=CC(=O)Nc2nc(C(F)(F)F)n[n-]2)C1(C)C ZINC001133907017 1136358766 /nfs/dbraw/zinc/35/87/66/1136358766.db2.gz KHQLRMXYXRNWMI-JGTLHMHFSA-N -1 3 330.354 3.781 20 0 EHADHM Cc1nc(C)c(CC(=O)O[C@@H](C2CCCCC2)C(C)(C)C)c(=O)[n-]1 ZINC000813935937 1136377683 /nfs/dbraw/zinc/37/76/83/1136377683.db2.gz CYKJGMCPTSINHG-KRWDZBQOSA-N -1 3 334.460 3.880 20 0 EHADHM Cc1c([O-])ccc2c(CN[C@@H](c3ccccc3)C(F)F)cc(=O)oc12 ZINC000814651075 1136485546 /nfs/dbraw/zinc/48/55/46/1136485546.db2.gz YMAZLILFBOECGS-KRWDZBQOSA-N -1 3 345.345 3.903 20 0 EHADHM O=C(COC(=O)c1ccc([O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000008524061 1136491509 /nfs/dbraw/zinc/49/15/09/1136491509.db2.gz MZGQKJUKXUNPRC-UHFFFAOYSA-N -1 3 325.147 3.739 20 0 EHADHM CC(=O)OCCCCSc1nnc([N-]c2ccccc2F)s1 ZINC000112225068 1136615287 /nfs/dbraw/zinc/61/52/87/1136615287.db2.gz DGOHADCLJUTMQO-UHFFFAOYSA-N -1 3 341.433 3.856 20 0 EHADHM CCN(C(=O)c1cc([O-])ccc1Cl)[C@H](C)[C@H](O)c1ccccc1 ZINC000854558757 1136625917 /nfs/dbraw/zinc/62/59/17/1136625917.db2.gz ANRKPCPGILIUMN-PXAZEXFGSA-N -1 3 333.815 3.630 20 0 EHADHM CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1cc([O-])ccc1Cl ZINC000815749782 1136633564 /nfs/dbraw/zinc/63/35/64/1136633564.db2.gz LFSALMMEDGGMRL-KRWDZBQOSA-N -1 3 333.815 3.550 20 0 EHADHM CCSCc1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)cc1 ZINC000854849269 1136648307 /nfs/dbraw/zinc/64/83/07/1136648307.db2.gz NWTUYSOAFGGTNN-UHFFFAOYSA-N -1 3 329.347 3.934 20 0 EHADHM CCSCc1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cc1 ZINC000854849269 1136648309 /nfs/dbraw/zinc/64/83/09/1136648309.db2.gz NWTUYSOAFGGTNN-UHFFFAOYSA-N -1 3 329.347 3.934 20 0 EHADHM C[C@H]1CCCC[C@@H]1NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001135512951 1136703865 /nfs/dbraw/zinc/70/38/65/1136703865.db2.gz PWTARJDUPXKTAL-QWRGUYRKSA-N -1 3 339.461 3.799 20 0 EHADHM Cc1c(NC(=O)c2nnc3ccccc3c2[O-])cccc1-c1ncco1 ZINC000816720076 1136750756 /nfs/dbraw/zinc/75/07/56/1136750756.db2.gz UYCNFCXFEHAGTO-UHFFFAOYSA-N -1 3 346.346 3.551 20 0 EHADHM COc1ccc(C(F)(F)C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000816768675 1136751243 /nfs/dbraw/zinc/75/12/43/1136751243.db2.gz BDWXNENFGPDVCC-UHFFFAOYSA-N -1 3 327.714 3.785 20 0 EHADHM CC(=O)c1ccc(C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)cc1[O-] ZINC000816892695 1136762109 /nfs/dbraw/zinc/76/21/09/1136762109.db2.gz NGUMIVCYLFHXIN-UHFFFAOYSA-N -1 3 344.386 3.831 20 0 EHADHM CCc1cccc(C)c1NC(=O)CO[N-]C(=O)CCC1CCCCC1 ZINC000114451892 1136797935 /nfs/dbraw/zinc/79/79/35/1136797935.db2.gz RMCVIZGTVGUVOQ-UHFFFAOYSA-N -1 3 346.471 3.904 20 0 EHADHM O=C(NC[C@@H]1CC12CCSCC2)c1cc2sccc2c([O-])c1 ZINC000817621504 1136829909 /nfs/dbraw/zinc/82/99/09/1136829909.db2.gz VBZPOHYNCLKOOF-LBPRGKRZSA-N -1 3 333.478 3.870 20 0 EHADHM CC(C)Oc1ccc(CC[C@H](C)NC(=O)c2ccc(N)cc2[O-])cc1 ZINC000817919297 1136846158 /nfs/dbraw/zinc/84/61/58/1136846158.db2.gz PSBOXMXDRSRZKS-AWEZNQCLSA-N -1 3 342.439 3.513 20 0 EHADHM Nc1ccc(C(=O)N2CCC[C@@H]2Cc2c(F)cccc2Cl)c([O-])c1 ZINC000817919851 1136846442 /nfs/dbraw/zinc/84/64/42/1136846442.db2.gz ZVUZOUJAOCBMIH-GFCCVEGCSA-N -1 3 348.805 3.614 20 0 EHADHM O=C(CCCOc1ccc2c(c1)CCC2)[N-]OCc1ccccc1 ZINC000857432711 1136869929 /nfs/dbraw/zinc/86/99/29/1136869929.db2.gz JEUOHWQSOJTPPM-UHFFFAOYSA-N -1 3 325.408 3.582 20 0 EHADHM COc1ccc(OCCOC(=O)c2cc(Cl)c(Cl)[n-]2)cc1 ZINC000011809366 1136888309 /nfs/dbraw/zinc/88/83/09/1136888309.db2.gz PWGUMZWXVIRATQ-UHFFFAOYSA-N -1 3 330.167 3.566 20 0 EHADHM CCc1cccc(C(=O)Nc2ccc(-n3cccn3)c(F)c2)c1[O-] ZINC001136301781 1136975965 /nfs/dbraw/zinc/97/59/65/1136975965.db2.gz NIIMOTIAXBZNNW-UHFFFAOYSA-N -1 3 325.343 3.532 20 0 EHADHM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC000822917385 1137079205 /nfs/dbraw/zinc/07/92/05/1137079205.db2.gz BMPDOWCFDWZIIL-NJZAAPMLSA-N -1 3 327.783 3.547 20 0 EHADHM Cc1nc(C)c(CC(=O)O[C@H]2CCCc3ccc(Cl)cc32)c(=O)[n-]1 ZINC000861403103 1137104591 /nfs/dbraw/zinc/10/45/91/1137104591.db2.gz LMIXXECBHOUNFT-INIZCTEOSA-N -1 3 346.814 3.616 20 0 EHADHM Cc1cccc([O-])c1C(=O)N(C)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC000861989438 1137126243 /nfs/dbraw/zinc/12/62/43/1137126243.db2.gz PGRSDBQXIIHAFH-UHFFFAOYSA-N -1 3 340.423 3.506 20 0 EHADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCc2cccc3ccccc32)n1 ZINC000824151264 1137126809 /nfs/dbraw/zinc/12/68/09/1137126809.db2.gz WZXURPOVCXFHDU-UHFFFAOYSA-N -1 3 349.434 3.628 20 0 EHADHM CC(C)CCc1nnc(NC(=O)[N-]OCc2ccc(F)cc2)s1 ZINC000824219020 1137128479 /nfs/dbraw/zinc/12/84/79/1137128479.db2.gz TUYJDRMEBNTZGE-UHFFFAOYSA-N -1 3 338.408 3.519 20 0 EHADHM CSc1ccc([O-])c(C(=O)N(CCc2ccccc2)C2CC2)c1 ZINC000824460273 1137140281 /nfs/dbraw/zinc/14/02/81/1137140281.db2.gz VNOJKMNBXGRUHX-UHFFFAOYSA-N -1 3 327.449 3.961 20 0 EHADHM O=C([N-][C@@H](CCc1ccccc1)C(F)F)C(F)(F)c1nccs1 ZINC000862809085 1137159086 /nfs/dbraw/zinc/15/90/86/1137159086.db2.gz XJCNSVFXPMQGQJ-NSHDSACASA-N -1 3 346.349 3.618 20 0 EHADHM CC(C)c1ncc([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)cn1 ZINC000794616065 1137220920 /nfs/dbraw/zinc/22/09/20/1137220920.db2.gz HLGSIENNKAHRMD-FPLPWBNLSA-N -1 3 337.832 3.666 20 0 EHADHM CCc1ccccc1[C@@H](CC(=O)[O-])NCc1cnc(C(C)(C)C)nc1 ZINC000864528162 1137232550 /nfs/dbraw/zinc/23/25/50/1137232550.db2.gz MFNNGJYSLAQJLJ-QGZVFWFLSA-N -1 3 341.455 3.642 20 0 EHADHM CCc1ccccc1[C@@H](CC(=O)[O-])NCc1cnn(C(C)(C)C)c1 ZINC000864527671 1137232561 /nfs/dbraw/zinc/23/25/61/1137232561.db2.gz HABICNRJURSWHR-QGZVFWFLSA-N -1 3 329.444 3.506 20 0 EHADHM O=c1[n-]c(CSc2cccc(C(F)(F)F)c2)nc2c1COCC2 ZINC000865336896 1137276408 /nfs/dbraw/zinc/27/64/08/1137276408.db2.gz ICAIXDCIDWWBGW-UHFFFAOYSA-N -1 3 342.342 3.566 20 0 EHADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)c2)n1 ZINC000845475112 1137294080 /nfs/dbraw/zinc/29/40/80/1137294080.db2.gz FQSDLVHCOMSJHG-JKIFEVAISA-N -1 3 336.391 3.665 20 0 EHADHM [O-]c1cc(F)c(CN2CCC3(CC2)OCCc2ccccc23)c(F)c1 ZINC001144559530 1137309787 /nfs/dbraw/zinc/30/97/87/1137309787.db2.gz NINKTYIIQPOAFW-UHFFFAOYSA-N -1 3 345.389 3.734 20 0 EHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ncc(-c2ccccc2)s1 ZINC001144616715 1137318989 /nfs/dbraw/zinc/31/89/89/1137318989.db2.gz NBERDJRATLGXGA-UHFFFAOYSA-N -1 3 328.368 3.836 20 0 EHADHM Cc1nc2c(s1)[C@H](N(C)Cc1ccccc1CC(=O)[O-])CCC2 ZINC000846246719 1137345419 /nfs/dbraw/zinc/34/54/19/1137345419.db2.gz JQXIRERZSMHPHK-MRXNPFEDSA-N -1 3 330.453 3.588 20 0 EHADHM O=C(CCCc1ccc([O-])c(F)c1)NCCC[C@H]1CC1(Cl)Cl ZINC000846592968 1137358248 /nfs/dbraw/zinc/35/82/48/1137358248.db2.gz PHUDJNIFBFGRFK-LBPRGKRZSA-N -1 3 348.245 3.944 20 0 EHADHM C[C@H]1C[C@H](NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)C[C@@H](C)C1 ZINC001147331838 1137404397 /nfs/dbraw/zinc/40/43/97/1137404397.db2.gz QFBSJJSLHYXPBX-GDNZZTSVSA-N -1 3 332.831 3.736 20 0 EHADHM CCc1ccc(C(=O)NC[C@H](C)Oc2ccccc2Cl)c([O-])c1 ZINC001148216992 1137419932 /nfs/dbraw/zinc/41/99/32/1137419932.db2.gz MCFBFZZCTNFKGJ-LBPRGKRZSA-N -1 3 333.815 3.805 20 0 EHADHM CC(=O)c1ccc(C(=O)NC[C@@]2(c3ccccc3)CC2(C)C)cc1[O-] ZINC001148588713 1137428982 /nfs/dbraw/zinc/42/89/82/1137428982.db2.gz WFMWDHAYGACGNB-OAQYLSRUSA-N -1 3 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C/C=C\c1ccc(Oc2ncc(-c3nnn[n-]3)cc2Cl)c(OC)c1 ZINC000736305835 598933963 /nfs/dbraw/zinc/93/39/63/598933963.db2.gz XDJCHYDAAMJCKU-ARJAWSKDSA-N -1 3 343.774 3.749 20 0 EHADHM C/C=C\c1ccc(Oc2ncc(-c3nn[n-]n3)cc2Cl)c(OC)c1 ZINC000736305835 598933967 /nfs/dbraw/zinc/93/39/67/598933967.db2.gz XDJCHYDAAMJCKU-ARJAWSKDSA-N -1 3 343.774 3.749 20 0 EHADHM O=C(CCC1CC1)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000737823549 598995867 /nfs/dbraw/zinc/99/58/67/598995867.db2.gz IWIXEWIZCRYMMK-UHFFFAOYSA-N -1 3 345.472 3.716 20 0 EHADHM O=C(CCC1CC1)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000737823549 598995869 /nfs/dbraw/zinc/99/58/69/598995869.db2.gz IWIXEWIZCRYMMK-UHFFFAOYSA-N -1 3 345.472 3.716 20 0 EHADHM O=C(CCC1CC1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737822962 598997730 /nfs/dbraw/zinc/99/77/30/598997730.db2.gz DJPXNDSERVLSNN-UHFFFAOYSA-N -1 3 349.394 3.788 20 0 EHADHM O=C(CCC1CC1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737822962 598997732 /nfs/dbraw/zinc/99/77/32/598997732.db2.gz DJPXNDSERVLSNN-UHFFFAOYSA-N -1 3 349.394 3.788 20 0 EHADHM CCC(CC)c1cc(CNc2ccc(-c3nn[n-]n3)cc2F)on1 ZINC000820897492 599045443 /nfs/dbraw/zinc/04/54/43/599045443.db2.gz GWSIWCSLKABYMT-UHFFFAOYSA-N -1 3 330.367 3.510 20 0 EHADHM C[C@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)Oc1cccc(F)c1 ZINC000820275264 599059400 /nfs/dbraw/zinc/05/94/00/599059400.db2.gz OKYXCHHCDYCMHG-SNVBAGLBSA-N -1 3 347.781 3.539 20 0 EHADHM C[C@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)Oc1cccc(F)c1 ZINC000820275264 599059403 /nfs/dbraw/zinc/05/94/03/599059403.db2.gz OKYXCHHCDYCMHG-SNVBAGLBSA-N -1 3 347.781 3.539 20 0 EHADHM C[C@H]1C[C@H](c2ccccc2)CN1c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736238358 599060256 /nfs/dbraw/zinc/06/02/56/599060256.db2.gz YVEWVJIFHKMEAU-JSGCOSHPSA-N -1 3 339.830 3.903 20 0 EHADHM C[C@H]1C[C@H](c2ccccc2)CN1c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736238358 599060258 /nfs/dbraw/zinc/06/02/58/599060258.db2.gz YVEWVJIFHKMEAU-JSGCOSHPSA-N -1 3 339.830 3.903 20 0 EHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)s1 ZINC000736678431 599070825 /nfs/dbraw/zinc/07/08/25/599070825.db2.gz CFFYQZPWHIADPN-CHWSQXEVSA-N -1 3 345.472 3.646 20 0 EHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)s1 ZINC000736678431 599070826 /nfs/dbraw/zinc/07/08/26/599070826.db2.gz CFFYQZPWHIADPN-CHWSQXEVSA-N -1 3 345.472 3.646 20 0 EHADHM CCN(C(=O)[C@@H]1CCC[C@H](C)C1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502344 599071137 /nfs/dbraw/zinc/07/11/37/599071137.db2.gz LYWMFVYMRNWGCL-JJRVBVJISA-N -1 3 341.459 3.603 20 0 EHADHM CCN(C(=O)[C@@H]1CCC[C@H](C)C1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502344 599071140 /nfs/dbraw/zinc/07/11/40/599071140.db2.gz LYWMFVYMRNWGCL-JJRVBVJISA-N -1 3 341.459 3.603 20 0 EHADHM COc1ccccc1[C@H](C)SCc1ccccc1-c1nnn[n-]1 ZINC000821882982 599128561 /nfs/dbraw/zinc/12/85/61/599128561.db2.gz OVPWGTKLTBIGPS-LBPRGKRZSA-N -1 3 326.425 3.870 20 0 EHADHM COc1ccccc1[C@H](C)SCc1ccccc1-c1nn[n-]n1 ZINC000821882982 599128563 /nfs/dbraw/zinc/12/85/63/599128563.db2.gz OVPWGTKLTBIGPS-LBPRGKRZSA-N -1 3 326.425 3.870 20 0 EHADHM COCCCCCOc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736979679 599193112 /nfs/dbraw/zinc/19/31/12/599193112.db2.gz UHCJLRCDJSLCKZ-UHFFFAOYSA-N -1 3 338.411 3.729 20 0 EHADHM COCCCCCOc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736979679 599193115 /nfs/dbraw/zinc/19/31/15/599193115.db2.gz UHCJLRCDJSLCKZ-UHFFFAOYSA-N -1 3 338.411 3.729 20 0 EHADHM Cc1c(NC(=O)Cc2csc3ccccc23)cccc1-c1nnn[n-]1 ZINC000822076211 607270513 /nfs/dbraw/zinc/27/05/13/607270513.db2.gz MDUZBEAIOJJJND-UHFFFAOYSA-N -1 3 349.419 3.571 20 0 EHADHM Cc1c(NC(=O)Cc2csc3ccccc23)cccc1-c1nn[n-]n1 ZINC000822076211 607270514 /nfs/dbraw/zinc/27/05/14/607270514.db2.gz MDUZBEAIOJJJND-UHFFFAOYSA-N -1 3 349.419 3.571 20 0 EHADHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCCCC1 ZINC000820374873 599249065 /nfs/dbraw/zinc/24/90/65/599249065.db2.gz RZGNDCADRIKADW-SNVBAGLBSA-N -1 3 348.838 3.610 20 0 EHADHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCCCC1 ZINC000820374873 599249067 /nfs/dbraw/zinc/24/90/67/599249067.db2.gz RZGNDCADRIKADW-SNVBAGLBSA-N -1 3 348.838 3.610 20 0 EHADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821014420 607288917 /nfs/dbraw/zinc/28/89/17/607288917.db2.gz GVKOSNXACNUCFZ-MLGOLLRUSA-N -1 3 342.447 3.608 20 0 EHADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821014420 607288918 /nfs/dbraw/zinc/28/89/18/607288918.db2.gz GVKOSNXACNUCFZ-MLGOLLRUSA-N -1 3 342.447 3.608 20 0 EHADHM CCCOc1ccc(NCc2cc(-c3nnn[n-]3)cs2)c(C)c1 ZINC000821134492 607313094 /nfs/dbraw/zinc/31/30/94/607313094.db2.gz XMHSSIKKZYZMIJ-UHFFFAOYSA-N -1 3 329.429 3.638 20 0 EHADHM CCCOc1ccc(NCc2cc(-c3nn[n-]n3)cs2)c(C)c1 ZINC000821134492 607313095 /nfs/dbraw/zinc/31/30/95/607313095.db2.gz XMHSSIKKZYZMIJ-UHFFFAOYSA-N -1 3 329.429 3.638 20 0 EHADHM Cc1nc(-c2cccc(NCc3ccc(-c4nnn[n-]4)cc3)c2)oc1C ZINC000822420026 607313501 /nfs/dbraw/zinc/31/35/01/607313501.db2.gz YPYYHDJRFDGWBU-UHFFFAOYSA-N -1 3 346.394 3.751 20 0 EHADHM Cc1nc(-c2cccc(NCc3ccc(-c4nn[n-]n4)cc3)c2)oc1C ZINC000822420026 607313502 /nfs/dbraw/zinc/31/35/02/607313502.db2.gz YPYYHDJRFDGWBU-UHFFFAOYSA-N -1 3 346.394 3.751 20 0 EHADHM c1cc(-c2nnn[n-]2)sc1CNc1ccccc1OC1CCCC1 ZINC000823786965 607313730 /nfs/dbraw/zinc/31/37/30/607313730.db2.gz FTXLBCRHHZZBEJ-UHFFFAOYSA-N -1 3 341.440 3.862 20 0 EHADHM C[C@H](Nc1nc(C(F)(F)F)cs1)c1cccc(-c2nnn[n-]2)c1 ZINC000820462571 607304588 /nfs/dbraw/zinc/30/45/88/607304588.db2.gz YRSYTPZSCALRRQ-ZETCQYMHSA-N -1 3 340.334 3.515 20 0 EHADHM C[C@H](Nc1nc(C(F)(F)F)cs1)c1cccc(-c2nn[n-]n2)c1 ZINC000820462571 607304589 /nfs/dbraw/zinc/30/45/89/607304589.db2.gz YRSYTPZSCALRRQ-ZETCQYMHSA-N -1 3 340.334 3.515 20 0 EHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@@H](c1ccccc1)C1CCC1 ZINC000738152181 598254523 /nfs/dbraw/zinc/25/45/23/598254523.db2.gz QIRQBDCRRREWLJ-KRWDZBQOSA-N -1 3 348.410 3.530 20 0 EHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@@H](c1ccccc1)C1CCC1 ZINC000738152181 598254524 /nfs/dbraw/zinc/25/45/24/598254524.db2.gz QIRQBDCRRREWLJ-KRWDZBQOSA-N -1 3 348.410 3.530 20 0 EHADHM CN(Cc1ccc(Cl)s1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736816466 598274910 /nfs/dbraw/zinc/27/49/10/598274910.db2.gz IGIQRSDHIZYVDM-UHFFFAOYSA-N -1 3 340.239 3.871 20 0 EHADHM CN(Cc1ccc(Cl)s1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736816466 598274908 /nfs/dbraw/zinc/27/49/08/598274908.db2.gz IGIQRSDHIZYVDM-UHFFFAOYSA-N -1 3 340.239 3.871 20 0 EHADHM C[C@@H](NC(=O)c1ccccc1C(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000820397060 607351920 /nfs/dbraw/zinc/35/19/20/607351920.db2.gz LHUTUDGTCJFHOJ-CYBMUJFWSA-N -1 3 349.438 3.655 20 0 EHADHM C[C@@H](NC(=O)c1ccccc1C(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000820397060 607351922 /nfs/dbraw/zinc/35/19/22/607351922.db2.gz LHUTUDGTCJFHOJ-CYBMUJFWSA-N -1 3 349.438 3.655 20 0 EHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(F)ccc1F ZINC000736193770 598392683 /nfs/dbraw/zinc/39/26/83/598392683.db2.gz SVIHJNNQDVXQJW-VIFPVBQESA-N -1 3 346.362 3.508 20 0 EHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(F)ccc1F ZINC000736193770 598392686 /nfs/dbraw/zinc/39/26/86/598392686.db2.gz SVIHJNNQDVXQJW-VIFPVBQESA-N -1 3 346.362 3.508 20 0 EHADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cc2ccccc2s1 ZINC000736117714 598422051 /nfs/dbraw/zinc/42/20/51/598422051.db2.gz GKGZDBACTWRWNR-LLVKDONJSA-N -1 3 349.419 3.572 20 0 EHADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2s1 ZINC000736117714 598422053 /nfs/dbraw/zinc/42/20/53/598422053.db2.gz GKGZDBACTWRWNR-LLVKDONJSA-N -1 3 349.419 3.572 20 0 EHADHM C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cc2ccccc2s1 ZINC000736124510 598422353 /nfs/dbraw/zinc/42/23/53/598422353.db2.gz UAYNWFCJVZOWGD-LLVKDONJSA-N -1 3 349.419 3.572 20 0 EHADHM C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cc2ccccc2s1 ZINC000736124510 598422355 /nfs/dbraw/zinc/42/23/55/598422355.db2.gz UAYNWFCJVZOWGD-LLVKDONJSA-N -1 3 349.419 3.572 20 0 EHADHM C[C@H]1CCN(Cc2ccccc2-c2nnn[n-]2)c2ccccc2S1 ZINC000736275019 598431275 /nfs/dbraw/zinc/43/12/75/598431275.db2.gz FQQYTNUAXDXOMM-ZDUSSCGKSA-N -1 3 337.452 3.758 20 0 EHADHM C[C@H]1CCN(Cc2ccccc2-c2nn[n-]n2)c2ccccc2S1 ZINC000736275019 598431277 /nfs/dbraw/zinc/43/12/77/598431277.db2.gz FQQYTNUAXDXOMM-ZDUSSCGKSA-N -1 3 337.452 3.758 20 0 EHADHM C[C@@H]1CCC[C@@H](CC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC000736252211 598489978 /nfs/dbraw/zinc/48/99/78/598489978.db2.gz PYZSPHRSLHIGQB-CHWSQXEVSA-N -1 3 344.463 3.578 20 0 EHADHM C[C@@H]1CCC[C@@H](CC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC000736252211 598489980 /nfs/dbraw/zinc/48/99/80/598489980.db2.gz PYZSPHRSLHIGQB-CHWSQXEVSA-N -1 3 344.463 3.578 20 0 EHADHM C[C@H](c1ccc(Cl)cc1)[S@](=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736199053 598492056 /nfs/dbraw/zinc/49/20/56/598492056.db2.gz MWMXPCZUXADFPF-QVQLBTGDSA-N -1 3 346.843 3.530 20 0 EHADHM C[C@H](c1ccc(Cl)cc1)[S@](=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736199053 598492058 /nfs/dbraw/zinc/49/20/58/598492058.db2.gz MWMXPCZUXADFPF-QVQLBTGDSA-N -1 3 346.843 3.530 20 0 EHADHM Brc1cccc(SCc2ccccc2-c2nnn[n-]2)c1 ZINC000735368140 598536582 /nfs/dbraw/zinc/53/65/82/598536582.db2.gz GJKXFENXUQKXSX-UHFFFAOYSA-N -1 3 347.241 3.922 20 0 EHADHM Brc1cccc(SCc2ccccc2-c2nn[n-]n2)c1 ZINC000735368140 598536584 /nfs/dbraw/zinc/53/65/84/598536584.db2.gz GJKXFENXUQKXSX-UHFFFAOYSA-N -1 3 347.241 3.922 20 0 EHADHM Cc1ccccc1CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737428919 598571284 /nfs/dbraw/zinc/57/12/84/598571284.db2.gz XVHYLUMFGNGZHJ-UHFFFAOYSA-N -1 3 333.317 3.806 20 0 EHADHM Cc1ccccc1CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737428919 598571286 /nfs/dbraw/zinc/57/12/86/598571286.db2.gz XVHYLUMFGNGZHJ-UHFFFAOYSA-N -1 3 333.317 3.806 20 0 EHADHM CCC[C@@H]1CCCC[C@H]1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736438456 598607680 /nfs/dbraw/zinc/60/76/80/598607680.db2.gz ZXLXBJSDGFNTNQ-TZMCWYRMSA-N -1 3 344.488 3.512 20 0 EHADHM CCC[C@@H]1CCCC[C@H]1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736438456 598607681 /nfs/dbraw/zinc/60/76/81/598607681.db2.gz ZXLXBJSDGFNTNQ-TZMCWYRMSA-N -1 3 344.488 3.512 20 0 EHADHM Clc1ccc(CCNc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000737573795 598653349 /nfs/dbraw/zinc/65/33/49/598653349.db2.gz BSCITYKTKNGCPS-UHFFFAOYSA-N -1 3 340.239 3.890 20 0 EHADHM Clc1ccc(CCNc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000737573795 598653351 /nfs/dbraw/zinc/65/33/51/598653351.db2.gz BSCITYKTKNGCPS-UHFFFAOYSA-N -1 3 340.239 3.890 20 0 EHADHM C[C@@H]1C[C@@H]1c1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000736236258 598654572 /nfs/dbraw/zinc/65/45/72/598654572.db2.gz IVMBNSTZIKBTOM-RNCFNFMXSA-N -1 3 329.791 3.849 20 0 EHADHM C[C@@H]1C[C@@H]1c1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000736236258 598654574 /nfs/dbraw/zinc/65/45/74/598654574.db2.gz IVMBNSTZIKBTOM-RNCFNFMXSA-N -1 3 329.791 3.849 20 0 EHADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cccc2ccccc21 ZINC000821736449 607369136 /nfs/dbraw/zinc/36/91/36/607369136.db2.gz KFTDHAFNUWQMFN-UHFFFAOYSA-N -1 3 331.379 3.641 20 0 EHADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cccc2ccccc21 ZINC000821736449 607369140 /nfs/dbraw/zinc/36/91/40/607369140.db2.gz KFTDHAFNUWQMFN-UHFFFAOYSA-N -1 3 331.379 3.641 20 0 EHADHM COc1ccc(-c2nnn[n-]2)cc1CNc1cccc(C(F)(F)F)c1 ZINC000821737287 607369217 /nfs/dbraw/zinc/36/92/17/607369217.db2.gz UJOQCUGFTPCVOX-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM COc1ccc(-c2nn[n-]n2)cc1CNc1cccc(C(F)(F)F)c1 ZINC000821737287 607369218 /nfs/dbraw/zinc/36/92/18/607369218.db2.gz UJOQCUGFTPCVOX-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM C[C@@H](Nc1cccc(COCC2CC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820461815 599371471 /nfs/dbraw/zinc/37/14/71/599371471.db2.gz RDMJMVQHCIUWBI-CQSZACIVSA-N -1 3 349.438 3.966 20 0 EHADHM C[C@@H](Nc1cccc(COCC2CC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461815 599371474 /nfs/dbraw/zinc/37/14/74/599371474.db2.gz RDMJMVQHCIUWBI-CQSZACIVSA-N -1 3 349.438 3.966 20 0 EHADHM c1cc(-c2nnn[n-]2)oc1CNCc1ccccc1Oc1ccccc1 ZINC000823791634 599421055 /nfs/dbraw/zinc/42/10/55/599421055.db2.gz GNZAZWVTQGJYDK-UHFFFAOYSA-N -1 3 347.378 3.542 20 0 EHADHM c1cc(-c2nn[n-]n2)oc1CNCc1ccccc1Oc1ccccc1 ZINC000823791634 599421058 /nfs/dbraw/zinc/42/10/58/599421058.db2.gz GNZAZWVTQGJYDK-UHFFFAOYSA-N -1 3 347.378 3.542 20 0 EHADHM Cc1occc1CN(C)c1c(-c2nnn[n-]2)cnc2c(C)cc(C)cc21 ZINC000822195350 599490891 /nfs/dbraw/zinc/49/08/91/599490891.db2.gz PLNZSPGOIZZCHB-UHFFFAOYSA-N -1 3 348.410 3.570 20 0 EHADHM Cc1occc1CN(C)c1c(-c2nn[n-]n2)cnc2c(C)cc(C)cc21 ZINC000822195350 599490894 /nfs/dbraw/zinc/49/08/94/599490894.db2.gz PLNZSPGOIZZCHB-UHFFFAOYSA-N -1 3 348.410 3.570 20 0 EHADHM CCCCc1ccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821077491 599499671 /nfs/dbraw/zinc/49/96/71/599499671.db2.gz HZRWLVIMILJWPS-CQSZACIVSA-N -1 3 349.438 3.700 20 0 EHADHM CCCCc1ccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821077491 599499673 /nfs/dbraw/zinc/49/96/73/599499673.db2.gz HZRWLVIMILJWPS-CQSZACIVSA-N -1 3 349.438 3.700 20 0 EHADHM Cc1ccccc1[C@@H]1C[C@H](C)N(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000737419708 599526789 /nfs/dbraw/zinc/52/67/89/599526789.db2.gz APTFGMWSEDMWMC-UONOGXRCSA-N -1 3 337.402 3.697 20 0 EHADHM Cc1ccccc1[C@@H]1C[C@H](C)N(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000737419708 599526792 /nfs/dbraw/zinc/52/67/92/599526792.db2.gz APTFGMWSEDMWMC-UONOGXRCSA-N -1 3 337.402 3.697 20 0 EHADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2C[C@H](c3ccccc3C)C[C@@H]2C)n1 ZINC000737243547 599528301 /nfs/dbraw/zinc/52/83/01/599528301.db2.gz AEHURPCKWITNIC-JKSUJKDBSA-N -1 3 348.454 3.569 20 0 EHADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2C[C@H](c3ccccc3C)C[C@@H]2C)n1 ZINC000737243547 599528302 /nfs/dbraw/zinc/52/83/02/599528302.db2.gz AEHURPCKWITNIC-JKSUJKDBSA-N -1 3 348.454 3.569 20 0 EHADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)CCCC1CCCC1 ZINC000819976176 599630189 /nfs/dbraw/zinc/63/01/89/599630189.db2.gz PEUMTDSJHSACHD-UHFFFAOYSA-N -1 3 344.463 3.722 20 0 EHADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)CCCC1CCCC1 ZINC000819976176 599630190 /nfs/dbraw/zinc/63/01/90/599630190.db2.gz PEUMTDSJHSACHD-UHFFFAOYSA-N -1 3 344.463 3.722 20 0 EHADHM CN(CCCc1cc(-c2ccccc2)no1)Cc1ccoc1C(=O)[O-] ZINC000581949365 599717537 /nfs/dbraw/zinc/71/75/37/599717537.db2.gz ZONCEVKKBLHLQB-UHFFFAOYSA-N -1 3 340.379 3.697 20 0 EHADHM Cc1cc(CN2CCC(c3ccc(F)c(F)c3)CC2)oc1C(=O)[O-] ZINC000738384096 599793051 /nfs/dbraw/zinc/79/30/51/599793051.db2.gz ZXMUSTWIMGTWIA-UHFFFAOYSA-N -1 3 335.350 3.944 20 0 EHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000736714240 599867346 /nfs/dbraw/zinc/86/73/46/599867346.db2.gz FPPCWDLVWNPNEL-SGTLLEGYSA-N -1 3 347.386 3.624 20 0 EHADHM CCN(Cc1ccc(OC)c(OC)c1)Cc1ccc(F)cc1C(=O)[O-] ZINC000737105811 600083996 /nfs/dbraw/zinc/08/39/96/600083996.db2.gz FSTOGDUWMOGXCG-UHFFFAOYSA-N -1 3 347.386 3.563 20 0 EHADHM Cc1ccc(OC2CCN(Cc3cccc(C(=O)[O-])c3)CC2)cc1 ZINC000263461509 600261271 /nfs/dbraw/zinc/26/12/71/600261271.db2.gz IVPLQRJVVCXPNG-UHFFFAOYSA-N -1 3 325.408 3.737 20 0 EHADHM CCC[C@@](C)(NCc1csc(COc2ccc(C)cc2)n1)C(=O)[O-] ZINC000340687369 600321958 /nfs/dbraw/zinc/32/19/58/600321958.db2.gz YVGACGVVUMXGMD-GOSISDBHSA-N -1 3 348.468 3.764 20 0 EHADHM COc1cc([C@@H](C)N[C@@H](C(=O)[O-])c2ccccc2)ccc1OC(C)C ZINC000737869047 600422547 /nfs/dbraw/zinc/42/25/47/600422547.db2.gz YGDNXZROFZATCL-AUUYWEPGSA-N -1 3 343.423 3.959 20 0 EHADHM O=C([O-])[C@@H](NCc1cc(Br)cs1)c1ccc(F)cc1 ZINC000426814705 600425002 /nfs/dbraw/zinc/42/50/02/600425002.db2.gz AOTTWANBNZUAGQ-LBPRGKRZSA-N -1 3 344.205 3.565 20 0 EHADHM Fc1cc(-c2nnn[n-]2)ccc1C=C(Cl)c1nc2ccccc2o1 ZINC000822741428 607458277 /nfs/dbraw/zinc/45/82/77/607458277.db2.gz XBOATIPLMJSZGP-XFFZJAGNSA-N -1 3 341.733 3.884 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1C=C(Cl)c1nc2ccccc2o1 ZINC000822741428 607458278 /nfs/dbraw/zinc/45/82/78/607458278.db2.gz XBOATIPLMJSZGP-XFFZJAGNSA-N -1 3 341.733 3.884 20 0 EHADHM COc1ccc([C@@H](C)NCc2cccc(OCC(=O)[O-])c2)cc1Cl ZINC000737951443 600639805 /nfs/dbraw/zinc/63/98/05/600639805.db2.gz VGIQARQWDZYREI-GFCCVEGCSA-N -1 3 349.814 3.663 20 0 EHADHM O=C([O-])c1cc(F)ccc1CN1CCC[C@H](Oc2ccccc2)C1 ZINC000740080217 600644282 /nfs/dbraw/zinc/64/42/82/600644282.db2.gz ZSUPHBPKCVNKNS-KRWDZBQOSA-N -1 3 329.371 3.567 20 0 EHADHM CC(C)c1ccccc1OCCN[C@H](C(=O)[O-])c1ccccc1F ZINC000827139197 600748501 /nfs/dbraw/zinc/74/85/01/600748501.db2.gz FUWIBZHGUTTWPX-SFHVURJKSA-N -1 3 331.387 3.743 20 0 EHADHM Cc1c(NCc2ncc(-c3ccccc3)s2)cccc1-c1nnn[n-]1 ZINC000822122825 607470173 /nfs/dbraw/zinc/47/01/73/607470173.db2.gz QWPFFWUEGJNDPU-UHFFFAOYSA-N -1 3 348.435 3.911 20 0 EHADHM Cc1c(NCc2ncc(-c3ccccc3)s2)cccc1-c1nn[n-]n1 ZINC000822122825 607470174 /nfs/dbraw/zinc/47/01/74/607470174.db2.gz QWPFFWUEGJNDPU-UHFFFAOYSA-N -1 3 348.435 3.911 20 0 EHADHM Cc1ccc(OC2CCN([C@H](C(=O)[O-])c3ccccc3F)CC2)cc1 ZINC000574525230 601011837 /nfs/dbraw/zinc/01/18/37/601011837.db2.gz NJCAVGMZNMRANN-IBGZPJMESA-N -1 3 343.398 3.803 20 0 EHADHM CCOc1ccc(-c2nc(CN[C@@](C)(C(=O)[O-])C3CC3)cs2)cc1 ZINC000830054209 601040078 /nfs/dbraw/zinc/04/00/78/601040078.db2.gz SVKYZKCQWVQHDK-GOSISDBHSA-N -1 3 346.452 3.552 20 0 EHADHM C[C@@H]1CN(Cc2csc(-c3ccc(Cl)cc3)n2)C[C@H]1C(=O)[O-] ZINC000263390366 601503753 /nfs/dbraw/zinc/50/37/53/601503753.db2.gz YPCHDFDQKNJXOW-QMTHXVAHSA-N -1 3 336.844 3.616 20 0 EHADHM COc1ccc([C@H](NCc2ccc(C(=O)[O-])c(F)c2)C2CC2)cc1 ZINC000832252119 601616081 /nfs/dbraw/zinc/61/60/81/601616081.db2.gz HBTIUSFBIGJBHH-GOSISDBHSA-N -1 3 329.371 3.773 20 0 EHADHM Cc1sc(C(=O)[O-])cc1CN1CCC([C@H](O)c2ccccc2)CC1 ZINC000833032982 601617206 /nfs/dbraw/zinc/61/72/06/601617206.db2.gz RWDMOIXTIOEYHK-GOSISDBHSA-N -1 3 345.464 3.700 20 0 EHADHM COc1cccc(CN[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)c1 ZINC000832554586 601971052 /nfs/dbraw/zinc/97/10/52/601971052.db2.gz SVSGUEJITDOCTR-HNNXBMFYSA-N -1 3 340.206 3.918 20 0 EHADHM COc1cc(OC)cc([C@@H](N[C@H](C)c2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000832049709 602163541 /nfs/dbraw/zinc/16/35/41/602163541.db2.gz KBBSMSWZOXUEJR-PIGZYNQJSA-N -1 3 349.814 3.834 20 0 EHADHM COc1cc(OC)cc([C@H](N[C@H](C)c2ccc(F)c(C)c2)C(=O)[O-])c1 ZINC000832050124 602176379 /nfs/dbraw/zinc/17/63/79/602176379.db2.gz MSICYRQWIVKQFR-XIKOKIGWSA-N -1 3 347.386 3.628 20 0 EHADHM Cc1ncc(CNC[C@H](NC(=O)[O-])c2ccc(C(C)C)cc2)s1 ZINC000740232093 602335829 /nfs/dbraw/zinc/33/58/29/602335829.db2.gz NWYAXWLHWCGXIH-INIZCTEOSA-N -1 3 333.457 3.673 20 0 EHADHM O=C([O-])N1CC[C@H](CN2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000740502096 602977877 /nfs/dbraw/zinc/97/78/77/602977877.db2.gz DJSUXMRKHNISRQ-WBMJQRKESA-N -1 3 348.493 3.757 20 0 EHADHM CCN(CC1CCN(Cc2cc(F)cc3cccnc32)CC1)C(=O)[O-] ZINC000827100430 603504681 /nfs/dbraw/zinc/50/46/81/603504681.db2.gz ZAPUJHDRGMOZDB-UHFFFAOYSA-N -1 3 345.418 3.586 20 0 EHADHM C[C@H](c1ccc(Cl)cc1)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000825630782 604104346 /nfs/dbraw/zinc/10/43/46/604104346.db2.gz UXELARUYZWSCKD-CYBMUJFWSA-N -1 3 340.851 3.540 20 0 EHADHM C[C@@H](NC(=O)C[C@H]1CCCCC1(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824479631 607693317 /nfs/dbraw/zinc/69/33/17/607693317.db2.gz PCROQEOMQHWPCS-CZUORRHYSA-N -1 3 341.459 3.650 20 0 EHADHM C[C@@H](NC(=O)C[C@H]1CCCCC1(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824479631 607693318 /nfs/dbraw/zinc/69/33/18/607693318.db2.gz PCROQEOMQHWPCS-CZUORRHYSA-N -1 3 341.459 3.650 20 0 EHADHM CCC(CC)(CC(=O)[O-])NCc1nc2cc(C(F)(F)F)ccc2o1 ZINC000828803856 604485279 /nfs/dbraw/zinc/48/52/79/604485279.db2.gz CNSVJFZJWSUOAK-UHFFFAOYSA-N -1 3 344.333 3.970 20 0 EHADHM O=C([O-])[C@H]1CC12CCN(Cc1ccc(-c3ccncc3)cc1F)CC2 ZINC000833771891 604648483 /nfs/dbraw/zinc/64/84/83/604648483.db2.gz TUJZJLNOCBQVSO-QGZVFWFLSA-N -1 3 340.398 3.574 20 0 EHADHM Cc1nc2ccccn2c1CN(CCCC(=O)[O-])Cc1ccccc1 ZINC000833008091 604783152 /nfs/dbraw/zinc/78/31/52/604783152.db2.gz XXGLOIHRVFLPQJ-UHFFFAOYSA-N -1 3 337.423 3.510 20 0 EHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2ncc(-c3ccccc3)o2)C1 ZINC000392009362 604944301 /nfs/dbraw/zinc/94/43/01/604944301.db2.gz SIWMFNZINOGCAF-OAHLLOKOSA-N -1 3 328.412 3.664 20 0 EHADHM C[C@@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccc(Cl)c(Cl)c1 ZINC000827718427 604986101 /nfs/dbraw/zinc/98/61/01/604986101.db2.gz REVSJBJDXUSIBB-YMTOWFKASA-N -1 3 325.195 3.865 20 0 EHADHM C[C@H](C[C@@H](O)c1cccs1)Nc1c(Cl)cccc1-c1nnn[n-]1 ZINC000824390909 607732705 /nfs/dbraw/zinc/73/27/05/607732705.db2.gz FIJXBERYUSSWJM-BXKDBHETSA-N -1 3 349.847 3.506 20 0 EHADHM C[C@H](C[C@@H](O)c1cccs1)Nc1c(Cl)cccc1-c1nn[n-]n1 ZINC000824390909 607732707 /nfs/dbraw/zinc/73/27/07/607732707.db2.gz FIJXBERYUSSWJM-BXKDBHETSA-N -1 3 349.847 3.506 20 0 EHADHM C[C@H](C[C@@H](O)c1cccs1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000824391697 607732778 /nfs/dbraw/zinc/73/27/78/607732778.db2.gz JLOOGSAPENKUOR-NOZJJQNGSA-N -1 3 349.847 3.506 20 0 EHADHM C[C@H](C[C@@H](O)c1cccs1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000824391697 607732779 /nfs/dbraw/zinc/73/27/79/607732779.db2.gz JLOOGSAPENKUOR-NOZJJQNGSA-N -1 3 349.847 3.506 20 0 EHADHM C/C(=C\CN[C@H](C)c1ccccc1OCc1ccccc1)C(=O)[O-] ZINC000833386193 605094478 /nfs/dbraw/zinc/09/44/78/605094478.db2.gz VWFPGYWBTXDURP-ASNKMWSDSA-N -1 3 325.408 3.947 20 0 EHADHM C[C@H](NC(=O)[O-])c1ccc(CN[C@@H]2CCc3cc(F)ccc32)cc1 ZINC000825398114 605117966 /nfs/dbraw/zinc/11/79/66/605117966.db2.gz UEKREQOULKYZKF-KPZWWZAWSA-N -1 3 328.387 3.931 20 0 EHADHM CC(C)C[C@H]1CCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000570286879 605212298 /nfs/dbraw/zinc/21/22/98/605212298.db2.gz PXUQNYDBAQWNNL-CQSZACIVSA-N -1 3 328.412 3.908 20 0 EHADHM CC(C)(CN[C@H](C(=O)[O-])c1c(F)cccc1Cl)[C@@H]1CCCCO1 ZINC000833458727 605360830 /nfs/dbraw/zinc/36/08/30/605360830.db2.gz XYGRISCZTLXMPM-ZFWWWQNUSA-N -1 3 343.826 3.790 20 0 EHADHM O=C([O-])NCCCN[C@@H](c1ccccc1)c1ccc2ccccc2n1 ZINC000834237887 605879038 /nfs/dbraw/zinc/87/90/38/605879038.db2.gz RYISGWZDGNRSHH-IBGZPJMESA-N -1 3 335.407 3.572 20 0 EHADHM Cc1cccc2ncnc(Oc3ccc(-c4nnn[n-]4)cc3Cl)c12 ZINC000822340775 606062405 /nfs/dbraw/zinc/06/24/05/606062405.db2.gz GZMYFOBVYVHBLD-UHFFFAOYSA-N -1 3 338.758 3.564 20 0 EHADHM Cc1cccc2ncnc(Oc3ccc(-c4nn[n-]n4)cc3Cl)c12 ZINC000822340775 606062409 /nfs/dbraw/zinc/06/24/09/606062409.db2.gz GZMYFOBVYVHBLD-UHFFFAOYSA-N -1 3 338.758 3.564 20 0 EHADHM C[C@@H](NCc1cccc(-c2nn[n-]n2)c1)c1c(F)cccc1Cl ZINC000820432784 606224680 /nfs/dbraw/zinc/22/46/80/606224680.db2.gz RXONGDVXFRWIBF-SNVBAGLBSA-N -1 3 331.782 3.510 20 0 EHADHM c1oc(-c2ccccc2)nc1CSc1cccc(-c2nnn[n-]2)c1 ZINC000823767700 606329722 /nfs/dbraw/zinc/32/97/22/606329722.db2.gz VWMFQCXWJKRJLT-UHFFFAOYSA-N -1 3 335.392 3.814 20 0 EHADHM c1oc(-c2ccccc2)nc1CSc1cccc(-c2nn[n-]n2)c1 ZINC000823767700 606329724 /nfs/dbraw/zinc/32/97/24/606329724.db2.gz VWMFQCXWJKRJLT-UHFFFAOYSA-N -1 3 335.392 3.814 20 0 EHADHM C[C@@H](OC(=O)c1cc(Cl)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508644 606354642 /nfs/dbraw/zinc/35/46/42/606354642.db2.gz UJOAMEHHTYGZPT-SECBINFHSA-N -1 3 346.749 3.577 20 0 EHADHM C[C@@H](OC(=O)c1cc(Cl)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508644 606354643 /nfs/dbraw/zinc/35/46/43/606354643.db2.gz UJOAMEHHTYGZPT-SECBINFHSA-N -1 3 346.749 3.577 20 0 EHADHM CCCC[C@@H](CCC)NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821042783 606382324 /nfs/dbraw/zinc/38/23/24/606382324.db2.gz ICTXLDZXSJTHHK-CZUORRHYSA-N -1 3 344.463 3.586 20 0 EHADHM CCCC[C@@H](CCC)NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821042783 606382325 /nfs/dbraw/zinc/38/23/25/606382325.db2.gz ICTXLDZXSJTHHK-CZUORRHYSA-N -1 3 344.463 3.586 20 0 EHADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)s1)c1c(F)cccc1Cl ZINC000820433558 606424673 /nfs/dbraw/zinc/42/46/73/606424673.db2.gz ZGKLNQYOYPMBEI-MRVPVSSYSA-N -1 3 337.811 3.572 20 0 EHADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)s1)c1c(F)cccc1Cl ZINC000820433558 606424674 /nfs/dbraw/zinc/42/46/74/606424674.db2.gz ZGKLNQYOYPMBEI-MRVPVSSYSA-N -1 3 337.811 3.572 20 0 EHADHM c1ccc(N2CCCCCC2)c(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823751611 606445941 /nfs/dbraw/zinc/44/59/41/606445941.db2.gz MVUDULPAYUOAQQ-UHFFFAOYSA-N -1 3 348.454 3.859 20 0 EHADHM c1ccc(N2CCCCCC2)c(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823751611 606445943 /nfs/dbraw/zinc/44/59/43/606445943.db2.gz MVUDULPAYUOAQQ-UHFFFAOYSA-N -1 3 348.454 3.859 20 0 EHADHM Cc1cccc(C(C)C)c1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822288660 606476886 /nfs/dbraw/zinc/47/68/86/606476886.db2.gz FNRJYBXBOKOYMA-UHFFFAOYSA-N -1 3 327.413 3.612 20 0 EHADHM Cc1cccc(C(C)C)c1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822288660 606476887 /nfs/dbraw/zinc/47/68/87/606476887.db2.gz FNRJYBXBOKOYMA-UHFFFAOYSA-N -1 3 327.413 3.612 20 0 EHADHM CC(C)CN(C(=O)[C@H](C)C1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081837 606537271 /nfs/dbraw/zinc/53/72/71/606537271.db2.gz XUOJEQIJMABDNE-CQSZACIVSA-N -1 3 341.459 3.682 20 0 EHADHM CC(C)CN(C(=O)[C@H](C)C1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081837 606537273 /nfs/dbraw/zinc/53/72/73/606537273.db2.gz XUOJEQIJMABDNE-CQSZACIVSA-N -1 3 341.459 3.682 20 0 EHADHM Cc1ccc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1F ZINC000822254274 606597117 /nfs/dbraw/zinc/59/71/17/606597117.db2.gz FZXHHERDPDKKMD-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM Cc1ccc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1F ZINC000822254274 606597119 /nfs/dbraw/zinc/59/71/19/606597119.db2.gz FZXHHERDPDKKMD-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM CC[C@H](C)c1ccc(C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820882197 606667707 /nfs/dbraw/zinc/66/77/07/606667707.db2.gz MFAUQWOOHMJBJD-AWEZNQCLSA-N -1 3 349.438 3.652 20 0 EHADHM CC[C@H](C)c1ccc(C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820882197 606667708 /nfs/dbraw/zinc/66/77/08/606667708.db2.gz MFAUQWOOHMJBJD-AWEZNQCLSA-N -1 3 349.438 3.652 20 0 EHADHM COCCC1(CNc2cc(Cl)ccc2-c2nnn[n-]2)CCCC1 ZINC000821687343 606722074 /nfs/dbraw/zinc/72/20/74/606722074.db2.gz ZXJMBHGOKZLDOH-UHFFFAOYSA-N -1 3 335.839 3.529 20 0 EHADHM COCCC1(CNc2cc(Cl)ccc2-c2nn[n-]n2)CCCC1 ZINC000821687343 606722076 /nfs/dbraw/zinc/72/20/76/606722076.db2.gz ZXJMBHGOKZLDOH-UHFFFAOYSA-N -1 3 335.839 3.529 20 0 EHADHM Clc1cc(-c2nnn[n-]2)ccc1SCc1cn2ccsc2n1 ZINC000822563943 606854606 /nfs/dbraw/zinc/85/46/06/606854606.db2.gz RLGNISZZGLEJBH-UHFFFAOYSA-N -1 3 348.844 3.522 20 0 EHADHM Clc1cc(-c2nn[n-]n2)ccc1SCc1cn2ccsc2n1 ZINC000822563943 606854608 /nfs/dbraw/zinc/85/46/08/606854608.db2.gz RLGNISZZGLEJBH-UHFFFAOYSA-N -1 3 348.844 3.522 20 0 EHADHM CC(C)(C)c1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000819957954 606873366 /nfs/dbraw/zinc/87/33/66/606873366.db2.gz FMNUNJXZDCOJHP-UHFFFAOYSA-N -1 3 345.403 3.617 20 0 EHADHM CC(C)(C)c1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000819957954 606873368 /nfs/dbraw/zinc/87/33/68/606873368.db2.gz FMNUNJXZDCOJHP-UHFFFAOYSA-N -1 3 345.403 3.617 20 0 EHADHM CC=C(C=CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C)CC ZINC000820832592 607000623 /nfs/dbraw/zinc/00/06/23/607000623.db2.gz MDTZYAUCULBZCG-SLHOPRNSSA-N -1 3 341.415 3.505 20 0 EHADHM CC=C(C=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C)CC ZINC000820832592 607000625 /nfs/dbraw/zinc/00/06/25/607000625.db2.gz MDTZYAUCULBZCG-SLHOPRNSSA-N -1 3 341.415 3.505 20 0 EHADHM Cc1ccc2oc(SCc3ccc(F)c(-c4nnn[n-]4)c3)nc2c1 ZINC000822283707 607008700 /nfs/dbraw/zinc/00/87/00/607008700.db2.gz BFRISRDEPXHBLF-UHFFFAOYSA-N -1 3 341.371 3.748 20 0 EHADHM Cc1ccc2oc(SCc3ccc(F)c(-c4nn[n-]n4)c3)nc2c1 ZINC000822283707 607008702 /nfs/dbraw/zinc/00/87/02/607008702.db2.gz BFRISRDEPXHBLF-UHFFFAOYSA-N -1 3 341.371 3.748 20 0 EHADHM CCOCCC1(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)CCC1 ZINC000821372985 607032122 /nfs/dbraw/zinc/03/21/22/607032122.db2.gz ASKWYDFKJBWTNJ-UHFFFAOYSA-N -1 3 335.839 3.529 20 0 EHADHM CCOCCC1(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)CCC1 ZINC000821372985 607032124 /nfs/dbraw/zinc/03/21/24/607032124.db2.gz ASKWYDFKJBWTNJ-UHFFFAOYSA-N -1 3 335.839 3.529 20 0 EHADHM Cc1ccc(-c2cnc(COc3cc(-c4nnn[n-]4)ccc3C)o2)cc1 ZINC000822214005 607041686 /nfs/dbraw/zinc/04/16/86/607041686.db2.gz LBTFYEQTSNQKTF-UHFFFAOYSA-N -1 3 347.378 3.718 20 0 EHADHM Cc1ccc(-c2cnc(COc3cc(-c4nn[n-]n4)ccc3C)o2)cc1 ZINC000822214005 607041687 /nfs/dbraw/zinc/04/16/87/607041687.db2.gz LBTFYEQTSNQKTF-UHFFFAOYSA-N -1 3 347.378 3.718 20 0 EHADHM CCCCC[C@@H]1CCCN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000821050705 607121358 /nfs/dbraw/zinc/12/13/58/607121358.db2.gz SXTLOKUKJZTDER-CYBMUJFWSA-N -1 3 344.488 3.608 20 0 EHADHM CCCCC[C@@H]1CCCN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000821050705 607121360 /nfs/dbraw/zinc/12/13/60/607121360.db2.gz SXTLOKUKJZTDER-CYBMUJFWSA-N -1 3 344.488 3.608 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H]1CCC(C)C ZINC000822217474 607194435 /nfs/dbraw/zinc/19/44/35/607194435.db2.gz FOSPLIYSPZCQFZ-HNNXBMFYSA-N -1 3 342.447 3.608 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H]1CCC(C)C ZINC000822217474 607194436 /nfs/dbraw/zinc/19/44/36/607194436.db2.gz FOSPLIYSPZCQFZ-HNNXBMFYSA-N -1 3 342.447 3.608 20 0 EHADHM COc1ccccc1CNc1cc(-c2nnn[n-]2)ccc1C(F)(F)F ZINC000821898091 607226268 /nfs/dbraw/zinc/22/62/68/607226268.db2.gz MQDBPGSOURYRAZ-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM COc1ccccc1CNc1cc(-c2nn[n-]n2)ccc1C(F)(F)F ZINC000821898091 607226269 /nfs/dbraw/zinc/22/62/69/607226269.db2.gz MQDBPGSOURYRAZ-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM CCN(C(=O)C[C@H](C)CC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367913 607797241 /nfs/dbraw/zinc/79/72/41/607797241.db2.gz XIFSVMMYCRPADT-ZDUSSCGKSA-N -1 3 329.448 3.682 20 0 EHADHM CCN(C(=O)C[C@H](C)CC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367913 607797242 /nfs/dbraw/zinc/79/72/42/607797242.db2.gz XIFSVMMYCRPADT-ZDUSSCGKSA-N -1 3 329.448 3.682 20 0 EHADHM CC(C)(C)OCCCSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824119640 607844142 /nfs/dbraw/zinc/84/41/42/607844142.db2.gz MTDFZKCSHGYVLV-UHFFFAOYSA-N -1 3 326.853 3.817 20 0 EHADHM CC(C)(C)OCCCSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824119640 607844143 /nfs/dbraw/zinc/84/41/43/607844143.db2.gz MTDFZKCSHGYVLV-UHFFFAOYSA-N -1 3 326.853 3.817 20 0 EHADHM C[C@H](NC(=O)C[C@@H]1CCCC(C)(C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000824480055 607905942 /nfs/dbraw/zinc/90/59/42/607905942.db2.gz SBHBAJPSXQWIBV-KBPBESRZSA-N -1 3 341.459 3.650 20 0 EHADHM C[C@H](NC(=O)C[C@@H]1CCCC(C)(C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824480055 607905943 /nfs/dbraw/zinc/90/59/43/607905943.db2.gz SBHBAJPSXQWIBV-KBPBESRZSA-N -1 3 341.459 3.650 20 0 EHADHM CC(C)c1ccc([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000824347544 607968451 /nfs/dbraw/zinc/96/84/51/607968451.db2.gz CSEPSEAPTKRGKN-KRWDZBQOSA-N -1 3 334.427 3.727 20 0 EHADHM CC(C)c1ccc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000824347544 607968452 /nfs/dbraw/zinc/96/84/52/607968452.db2.gz CSEPSEAPTKRGKN-KRWDZBQOSA-N -1 3 334.427 3.727 20 0 EHADHM Cc1ccc(-c2ncco2)cc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000826273483 607977628 /nfs/dbraw/zinc/97/76/28/607977628.db2.gz GIFBHHGDSHUGJO-UHFFFAOYSA-N -1 3 338.396 3.504 20 0 EHADHM Cc1ccc(-c2ncco2)cc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000826273483 607977629 /nfs/dbraw/zinc/97/76/29/607977629.db2.gz GIFBHHGDSHUGJO-UHFFFAOYSA-N -1 3 338.396 3.504 20 0 EHADHM Cn1c2ccc(Nc3cccc(F)c3-c3nnn[n-]3)cc2nc1C1CC1 ZINC000826355413 608018474 /nfs/dbraw/zinc/01/84/74/608018474.db2.gz YLRLLPOGMOEDRP-UHFFFAOYSA-N -1 3 349.373 3.514 20 0 EHADHM Cn1c2ccc(Nc3cccc(F)c3-c3nn[n-]n3)cc2nc1C1CC1 ZINC000826355413 608018475 /nfs/dbraw/zinc/01/84/75/608018475.db2.gz YLRLLPOGMOEDRP-UHFFFAOYSA-N -1 3 349.373 3.514 20 0 EHADHM CC(C)(C)[C@@H]1C[C@@H](Nc2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000824077938 608149480 /nfs/dbraw/zinc/14/94/80/608149480.db2.gz FTXKHAVPHRQKBX-FZMZJTMJSA-N -1 3 335.839 3.526 20 0 EHADHM CC(C)(C)[C@@H]1C[C@@H](Nc2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000824077938 608149482 /nfs/dbraw/zinc/14/94/82/608149482.db2.gz FTXKHAVPHRQKBX-FZMZJTMJSA-N -1 3 335.839 3.526 20 0 EHADHM CC[C@H](C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825038432 608182609 /nfs/dbraw/zinc/18/26/09/608182609.db2.gz BJVYTVGIGKUYRN-GUYCJALGSA-N -1 3 336.395 3.665 20 0 EHADHM CC[C@H](C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825038432 608182611 /nfs/dbraw/zinc/18/26/11/608182611.db2.gz BJVYTVGIGKUYRN-GUYCJALGSA-N -1 3 336.395 3.665 20 0 EHADHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000826421276 608208329 /nfs/dbraw/zinc/20/83/29/608208329.db2.gz ZZEVBOODNIEUFG-UHFFFAOYSA-N -1 3 348.790 3.634 20 0 EHADHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000826421276 608208330 /nfs/dbraw/zinc/20/83/30/608208330.db2.gz ZZEVBOODNIEUFG-UHFFFAOYSA-N -1 3 348.790 3.634 20 0 EHADHM CC[C@@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccccc1 ZINC000825147264 608224894 /nfs/dbraw/zinc/22/48/94/608224894.db2.gz HBHWDTSRIBKPHY-MRXNPFEDSA-N -1 3 330.395 3.978 20 0 EHADHM CC[C@@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccccc1 ZINC000825147264 608224896 /nfs/dbraw/zinc/22/48/96/608224896.db2.gz HBHWDTSRIBKPHY-MRXNPFEDSA-N -1 3 330.395 3.978 20 0 EHADHM CCC[C@H](C(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)C ZINC000825225453 608343259 /nfs/dbraw/zinc/34/32/59/608343259.db2.gz TVVMRZJVRASBKF-ZDUSSCGKSA-N -1 3 349.866 3.945 20 0 EHADHM CCC[C@H](C(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1)C(C)C ZINC000825225453 608343261 /nfs/dbraw/zinc/34/32/61/608343261.db2.gz TVVMRZJVRASBKF-ZDUSSCGKSA-N -1 3 349.866 3.945 20 0 EHADHM Fc1c(CSCCCCC(F)(F)F)cccc1-c1nnn[n-]1 ZINC000826370772 608404995 /nfs/dbraw/zinc/40/49/95/608404995.db2.gz GULIMOJISVKZMP-UHFFFAOYSA-N -1 3 334.342 3.972 20 0 EHADHM Fc1c(CSCCCCC(F)(F)F)cccc1-c1nn[n-]n1 ZINC000826370772 608404997 /nfs/dbraw/zinc/40/49/97/608404997.db2.gz GULIMOJISVKZMP-UHFFFAOYSA-N -1 3 334.342 3.972 20 0 EHADHM CC[C@H](C)n1ncc(NCc2ccccc2-c2nnn[n-]2)c1C1CC1 ZINC000825083085 608427991 /nfs/dbraw/zinc/42/79/91/608427991.db2.gz XHEZNEAIKKAGDZ-LBPRGKRZSA-N -1 3 337.431 3.524 20 0 EHADHM CC[C@H](C)n1ncc(NCc2ccccc2-c2nn[n-]n2)c1C1CC1 ZINC000825083085 608427992 /nfs/dbraw/zinc/42/79/92/608427992.db2.gz XHEZNEAIKKAGDZ-LBPRGKRZSA-N -1 3 337.431 3.524 20 0 EHADHM C[C@@H](c1ccccc1Cl)N(C)Cc1ccc(-c2nnn[n-]2)s1 ZINC000824773183 608523363 /nfs/dbraw/zinc/52/33/63/608523363.db2.gz ZFPZOFKMHPUCNL-JTQLQIEISA-N -1 3 333.848 3.775 20 0 EHADHM C[C@@H](c1ccccc1Cl)N(C)Cc1ccc(-c2nn[n-]n2)s1 ZINC000824773183 608523364 /nfs/dbraw/zinc/52/33/64/608523364.db2.gz ZFPZOFKMHPUCNL-JTQLQIEISA-N -1 3 333.848 3.775 20 0 EHADHM O=C(Nc1cccc2ccccc21)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826457072 608572195 /nfs/dbraw/zinc/57/21/95/608572195.db2.gz KSZKEFPMLLQYJY-UHFFFAOYSA-N -1 3 349.781 3.926 20 0 EHADHM O=C(Nc1cccc2ccccc21)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826457072 608572196 /nfs/dbraw/zinc/57/21/96/608572196.db2.gz KSZKEFPMLLQYJY-UHFFFAOYSA-N -1 3 349.781 3.926 20 0 EHADHM Fc1ccc([C@@H]2CCCN2Cc2ccc(-c3nnn[n-]3)s2)cc1F ZINC000826374235 608702570 /nfs/dbraw/zinc/70/25/70/608702570.db2.gz RAZXHEKTSDBZHN-AWEZNQCLSA-N -1 3 347.394 3.544 20 0 EHADHM Fc1ccc([C@@H]2CCCN2Cc2ccc(-c3nn[n-]n3)s2)cc1F ZINC000826374235 608702571 /nfs/dbraw/zinc/70/25/71/608702571.db2.gz RAZXHEKTSDBZHN-AWEZNQCLSA-N -1 3 347.394 3.544 20 0 EHADHM Clc1oc2ccccc2c1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000826354861 608868763 /nfs/dbraw/zinc/86/87/63/608868763.db2.gz YSRDGFDHPJSNDA-UHFFFAOYSA-N -1 3 325.759 3.878 20 0 EHADHM Cc1cc(NCc2cc(-c3nnn[n-]3)cs2)ccc1C(F)(F)F ZINC000826271178 608871571 /nfs/dbraw/zinc/87/15/71/608871571.db2.gz GTLOKFPIIJJGBG-UHFFFAOYSA-N -1 3 339.346 3.868 20 0 EHADHM Cc1cc(NCc2cc(-c3nn[n-]n3)cs2)ccc1C(F)(F)F ZINC000826271178 608871572 /nfs/dbraw/zinc/87/15/72/608871572.db2.gz GTLOKFPIIJJGBG-UHFFFAOYSA-N -1 3 339.346 3.868 20 0 EHADHM CCOc1ccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000825643257 609155879 /nfs/dbraw/zinc/15/58/79/609155879.db2.gz JRNOJXXABNPUNB-SFHVURJKSA-N -1 3 335.411 3.755 20 0 EHADHM CCOc1ccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000825643257 609155881 /nfs/dbraw/zinc/15/58/81/609155881.db2.gz JRNOJXXABNPUNB-SFHVURJKSA-N -1 3 335.411 3.755 20 0 EHADHM C[C@@H]1CCN(c2ccc(F)cc2-c2nnn[n-]2)[C@@H](c2ccco2)C1 ZINC000824961414 609164742 /nfs/dbraw/zinc/16/47/42/609164742.db2.gz CLJMVXTZIHGHDN-IAQYHMDHSA-N -1 3 327.363 3.576 20 0 EHADHM C[C@@H]1CCN(c2ccc(F)cc2-c2nn[n-]n2)[C@@H](c2ccco2)C1 ZINC000824961414 609164743 /nfs/dbraw/zinc/16/47/43/609164743.db2.gz CLJMVXTZIHGHDN-IAQYHMDHSA-N -1 3 327.363 3.576 20 0 EHADHM CC(C)OCc1cccc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000824315672 609182128 /nfs/dbraw/zinc/18/21/28/609182128.db2.gz SZDJZJZZCXWQMI-AWEZNQCLSA-N -1 3 337.427 3.965 20 0 EHADHM CC(C)OCc1cccc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000824315672 609182130 /nfs/dbraw/zinc/18/21/30/609182130.db2.gz SZDJZJZZCXWQMI-AWEZNQCLSA-N -1 3 337.427 3.965 20 0 EHADHM Cc1ccc(C)c2sc(NCc3ccc(-c4nnn[n-]4)s3)nc21 ZINC000826285146 609264847 /nfs/dbraw/zinc/26/48/47/609264847.db2.gz QMNNAUIGXYRBJC-UHFFFAOYSA-N -1 3 342.453 3.767 20 0 EHADHM C[C@@H](Nc1ccc(-c2csnn2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824650281 609274413 /nfs/dbraw/zinc/27/44/13/609274413.db2.gz QLPFJSWGFOORQI-LLVKDONJSA-N -1 3 349.423 3.558 20 0 EHADHM C[C@@H](Nc1ccc(-c2csnn2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824650281 609274415 /nfs/dbraw/zinc/27/44/15/609274415.db2.gz QLPFJSWGFOORQI-LLVKDONJSA-N -1 3 349.423 3.558 20 0 EHADHM C[C@@H](Nc1ccc2c(c1)OC(C)(C)O2)c1ccc(-c2nnn[n-]2)cc1 ZINC000824655332 609274630 /nfs/dbraw/zinc/27/46/30/609274630.db2.gz CFYDRLCOTXPBEC-LLVKDONJSA-N -1 3 337.383 3.547 20 0 EHADHM C[C@@H](Nc1ccc2c(c1)OC(C)(C)O2)c1ccc(-c2nn[n-]n2)cc1 ZINC000824655332 609274631 /nfs/dbraw/zinc/27/46/31/609274631.db2.gz CFYDRLCOTXPBEC-LLVKDONJSA-N -1 3 337.383 3.547 20 0 EHADHM CC(C)Oc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000824329789 609345614 /nfs/dbraw/zinc/34/56/14/609345614.db2.gz VVHPYQXYDKGSOA-LBPRGKRZSA-N -1 3 341.390 3.966 20 0 EHADHM CC(C)Oc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000824329789 609345616 /nfs/dbraw/zinc/34/56/16/609345616.db2.gz VVHPYQXYDKGSOA-LBPRGKRZSA-N -1 3 341.390 3.966 20 0 EHADHM CC(C)Oc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000824329787 609345730 /nfs/dbraw/zinc/34/57/30/609345730.db2.gz VVHPYQXYDKGSOA-GFCCVEGCSA-N -1 3 341.390 3.966 20 0 EHADHM CC(C)Oc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000824329787 609345732 /nfs/dbraw/zinc/34/57/32/609345732.db2.gz VVHPYQXYDKGSOA-GFCCVEGCSA-N -1 3 341.390 3.966 20 0 EHADHM C[C@@H](Nc1ccccc1OC(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824662055 609349142 /nfs/dbraw/zinc/34/91/42/609349142.db2.gz BILVIAPESXSSGV-SECBINFHSA-N -1 3 349.316 3.780 20 0 EHADHM C[C@@H](Nc1ccccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC000824662055 609349144 /nfs/dbraw/zinc/34/91/44/609349144.db2.gz BILVIAPESXSSGV-SECBINFHSA-N -1 3 349.316 3.780 20 0 EHADHM Fc1cccc(CCCn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000826376625 609430204 /nfs/dbraw/zinc/43/02/04/609430204.db2.gz LOZQRIKRRKRTOT-UHFFFAOYSA-N -1 3 348.385 3.502 20 0 EHADHM Fc1cccc(CCCn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000826376625 609430207 /nfs/dbraw/zinc/43/02/07/609430207.db2.gz LOZQRIKRRKRTOT-UHFFFAOYSA-N -1 3 348.385 3.502 20 0 EHADHM CC[C@H](C)CCCCC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825060593 609478465 /nfs/dbraw/zinc/47/84/65/609478465.db2.gz RKELAVZLHHGAOK-UONOGXRCSA-N -1 3 329.448 3.650 20 0 EHADHM CC[C@H](C)CCCCC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825060593 609478466 /nfs/dbraw/zinc/47/84/66/609478466.db2.gz RKELAVZLHHGAOK-UONOGXRCSA-N -1 3 329.448 3.650 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1ccc(OC(F)F)c(F)c1 ZINC000826278431 609479613 /nfs/dbraw/zinc/47/96/13/609479613.db2.gz BPOFLANRPRMZSC-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1ccc(OC(F)F)c(F)c1 ZINC000826278431 609479615 /nfs/dbraw/zinc/47/96/15/609479615.db2.gz BPOFLANRPRMZSC-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM CCN(C(=O)[C@@H](C)c1ccccc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376888 609481093 /nfs/dbraw/zinc/48/10/93/609481093.db2.gz PEBIAECJTGYTJI-LSDHHAIUSA-N -1 3 349.438 3.580 20 0 EHADHM CCN(C(=O)[C@@H](C)c1ccccc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376888 609481096 /nfs/dbraw/zinc/48/10/96/609481096.db2.gz PEBIAECJTGYTJI-LSDHHAIUSA-N -1 3 349.438 3.580 20 0 EHADHM CC(C)Oc1ccc(NCc2cc(F)cc(F)c2)cc1-c1nnn[n-]1 ZINC000824328843 609489763 /nfs/dbraw/zinc/48/97/63/609489763.db2.gz BTMMAUCSNYVXNE-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM CC(C)Oc1ccc(NCc2cc(F)cc(F)c2)cc1-c1nn[n-]n1 ZINC000824328843 609489765 /nfs/dbraw/zinc/48/97/65/609489765.db2.gz BTMMAUCSNYVXNE-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM CCc1c(C)sc(NC(=O)[C@H](C)c2ccccc2)c1-c1nnn[n-]1 ZINC000825687380 609499197 /nfs/dbraw/zinc/49/91/97/609499197.db2.gz IIKJWTAICLWGOA-SNVBAGLBSA-N -1 3 341.440 3.541 20 0 EHADHM CCc1c(C)sc(NC(=O)[C@H](C)c2ccccc2)c1-c1nn[n-]n1 ZINC000825687380 609499198 /nfs/dbraw/zinc/49/91/98/609499198.db2.gz IIKJWTAICLWGOA-SNVBAGLBSA-N -1 3 341.440 3.541 20 0 EHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(-c2ccccc2)o1 ZINC000826454168 609500488 /nfs/dbraw/zinc/50/04/88/609500488.db2.gz LSBWQCYGRAIJFN-UHFFFAOYSA-N -1 3 349.325 3.518 20 0 EHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(-c2ccccc2)o1 ZINC000826454168 609500491 /nfs/dbraw/zinc/50/04/91/609500491.db2.gz LSBWQCYGRAIJFN-UHFFFAOYSA-N -1 3 349.325 3.518 20 0 EHADHM CC[C@@H](C)CCCCC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825061932 609504660 /nfs/dbraw/zinc/50/46/60/609504660.db2.gz ZRRNCZKYXWFBQF-ZIAGYGMSSA-N -1 3 329.448 3.650 20 0 EHADHM CC[C@@H](C)CCCCC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825061932 609504661 /nfs/dbraw/zinc/50/46/61/609504661.db2.gz ZRRNCZKYXWFBQF-ZIAGYGMSSA-N -1 3 329.448 3.650 20 0 EHADHM C[C@H](NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824864347 609521432 /nfs/dbraw/zinc/52/14/32/609521432.db2.gz AMAOYOIJMBIUJN-WWGRRREGSA-N -1 3 341.459 3.506 20 0 EHADHM C[C@H](NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824864347 609521433 /nfs/dbraw/zinc/52/14/33/609521433.db2.gz AMAOYOIJMBIUJN-WWGRRREGSA-N -1 3 341.459 3.506 20 0 EHADHM Cc1ccnc(N[C@@H](C)c2cccc(OC(C)C)c2)c1-c1nnn[n-]1 ZINC000826312152 609535433 /nfs/dbraw/zinc/53/54/33/609535433.db2.gz WYCAQEFWZYKLJV-ZDUSSCGKSA-N -1 3 338.415 3.530 20 0 EHADHM Cc1ccnc(N[C@@H](C)c2cccc(OC(C)C)c2)c1-c1nn[n-]n1 ZINC000826312152 609535434 /nfs/dbraw/zinc/53/54/34/609535434.db2.gz WYCAQEFWZYKLJV-ZDUSSCGKSA-N -1 3 338.415 3.530 20 0 EHADHM Cc1nc2c(s1)[C@H](Nc1cc(Cl)ccc1-c1nnn[n-]1)CCC2 ZINC000826328137 609565293 /nfs/dbraw/zinc/56/52/93/609565293.db2.gz HDFJXBZTWGQNTD-GFCCVEGCSA-N -1 3 346.847 3.775 20 0 EHADHM Cc1nc2c(s1)[C@H](Nc1cc(Cl)ccc1-c1nn[n-]n1)CCC2 ZINC000826328137 609565296 /nfs/dbraw/zinc/56/52/96/609565296.db2.gz HDFJXBZTWGQNTD-GFCCVEGCSA-N -1 3 346.847 3.775 20 0 EHADHM CS[C@@H](CNc1ccc2cc(-c3nnn[n-]3)ccc2n1)C(C)(C)C ZINC000826225717 609590296 /nfs/dbraw/zinc/59/02/96/609590296.db2.gz IYQXFQANCJUJEO-AWEZNQCLSA-N -1 3 342.472 3.605 20 0 EHADHM CS[C@@H](CNc1ccc2cc(-c3nn[n-]n3)ccc2n1)C(C)(C)C ZINC000826225717 609590299 /nfs/dbraw/zinc/59/02/99/609590299.db2.gz IYQXFQANCJUJEO-AWEZNQCLSA-N -1 3 342.472 3.605 20 0 EHADHM CC(C)Sc1ccc([C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000820184216 945367208 /nfs/dbraw/zinc/36/72/08/945367208.db2.gz XMLPGDVSLRLPRX-GFCCVEGCSA-N -1 3 340.456 3.935 20 0 EHADHM CC(C)Sc1ccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000820184216 945367224 /nfs/dbraw/zinc/36/72/24/945367224.db2.gz XMLPGDVSLRLPRX-GFCCVEGCSA-N -1 3 340.456 3.935 20 0 EHADHM CCC(CC)(C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000075189481 944607657 /nfs/dbraw/zinc/60/76/57/944607657.db2.gz GNHZWCDAQGTVNK-UHFFFAOYSA-N -1 3 335.411 3.563 20 0 EHADHM CCC(CC)(C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000075189481 944607662 /nfs/dbraw/zinc/60/76/62/944607662.db2.gz GNHZWCDAQGTVNK-UHFFFAOYSA-N -1 3 335.411 3.563 20 0 EHADHM Cc1cc(COc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)on1 ZINC000822201063 945985694 /nfs/dbraw/zinc/98/56/94/945985694.db2.gz PCNCVFDNDOQVAS-UHFFFAOYSA-N -1 3 349.350 3.534 20 0 EHADHM Cc1cc(COc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)on1 ZINC000822201063 945985701 /nfs/dbraw/zinc/98/57/01/945985701.db2.gz PCNCVFDNDOQVAS-UHFFFAOYSA-N -1 3 349.350 3.534 20 0 EHADHM C[C@H](NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000824868315 946961201 /nfs/dbraw/zinc/96/12/01/946961201.db2.gz UVIJSZZWBMCXOE-DVOMOZLQSA-N -1 3 341.459 3.506 20 0 EHADHM C[C@H](NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824868315 946961206 /nfs/dbraw/zinc/96/12/06/946961206.db2.gz UVIJSZZWBMCXOE-DVOMOZLQSA-N -1 3 341.459 3.506 20 0 EHADHM Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c(Cl)c1C ZINC000826278628 947801026 /nfs/dbraw/zinc/80/10/26/947801026.db2.gz MBXQDTCREGIJDA-UHFFFAOYSA-N -1 3 341.802 3.698 20 0 EHADHM Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c(Cl)c1C ZINC000826278628 947801030 /nfs/dbraw/zinc/80/10/30/947801030.db2.gz MBXQDTCREGIJDA-UHFFFAOYSA-N -1 3 341.802 3.698 20 0 EHADHM O=C(CCCc1ccc(C2CC2)cc1)Nc1ccccc1-c1nnn[n-]1 ZINC000913357401 948467401 /nfs/dbraw/zinc/46/74/01/948467401.db2.gz LCBOGLFARSYIAE-UHFFFAOYSA-N -1 3 347.422 3.706 20 0 EHADHM O=C(CCCc1ccc(C2CC2)cc1)Nc1ccccc1-c1nn[n-]n1 ZINC000913357401 948467407 /nfs/dbraw/zinc/46/74/07/948467407.db2.gz LCBOGLFARSYIAE-UHFFFAOYSA-N -1 3 347.422 3.706 20 0 EHADHM C[C@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1ccc2ccccc2c1 ZINC001573754019 948725469 /nfs/dbraw/zinc/72/54/69/948725469.db2.gz AQGINXVOVJFMPC-ZDUSSCGKSA-N -1 3 344.374 3.729 20 0 EHADHM C[C@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc2ccccc2c1 ZINC001573754019 948725475 /nfs/dbraw/zinc/72/54/75/948725475.db2.gz AQGINXVOVJFMPC-ZDUSSCGKSA-N -1 3 344.374 3.729 20 0 EHADHM O=C([O-])c1ccc(CN[C@@H]2c3ccccc3CC[C@H]2n2ccnc2)cc1 ZINC001595232081 949352685 /nfs/dbraw/zinc/35/26/85/949352685.db2.gz FKFIKZNQMFXVOQ-WOJBJXKFSA-N -1 3 347.418 3.600 20 0 EHADHM C[C@@H]1CCC[C@]1(C)C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001576155869 949421836 /nfs/dbraw/zinc/42/18/36/949421836.db2.gz VRUYANHHTXLSPN-ZMZPIMSZSA-N -1 3 325.416 3.509 20 0 EHADHM C[C@@H]1CCC[C@]1(C)C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001576155869 949421848 /nfs/dbraw/zinc/42/18/48/949421848.db2.gz VRUYANHHTXLSPN-ZMZPIMSZSA-N -1 3 325.416 3.509 20 0 EHADHM COCC1=CCN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CC1 ZINC000382494535 971817504 /nfs/dbraw/zinc/81/75/04/971817504.db2.gz ICXGQQXSDIQYGV-UHFFFAOYSA-N -1 3 335.400 3.517 20 0 EHADHM C[C@@H](COCc1ccccc1)CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000719509191 955170513 /nfs/dbraw/zinc/17/05/13/955170513.db2.gz ZTFIKIXVZCPTAP-UZLBHIALSA-N -1 3 339.435 3.523 20 0 EHADHM CC(C)c1nn(-c2ccccc2)c(Cl)c1CNCCCC(=O)[O-] ZINC000813354792 955357175 /nfs/dbraw/zinc/35/71/75/955357175.db2.gz FJHDVRXFCZITBY-UHFFFAOYSA-N -1 3 335.835 3.604 20 0 EHADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC000923472963 957124050 /nfs/dbraw/zinc/12/40/50/957124050.db2.gz XQBFQYDVTLMQMJ-LJQANCHMSA-N -1 3 328.412 3.727 20 0 EHADHM 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Cc1ccc(C(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)c([O-])c1 ZINC000518084316 1022990750 /nfs/dbraw/zinc/99/07/50/1022990750.db2.gz DZRLMDOWJJCMAZ-CABCVRRESA-N -1 3 346.224 3.749 20 0 EHADHM CC1([C@H](NCc2coc(-c3ccccc3)n2)C(=O)[O-])CCCCC1 ZINC000426744861 1023012706 /nfs/dbraw/zinc/01/27/06/1023012706.db2.gz DWFOZHLOWLGULK-MRXNPFEDSA-N -1 3 328.412 3.855 20 0 EHADHM C[C@H]1CN(c2ccc(NCc3c(F)ccc([O-])c3F)cc2)CCO1 ZINC000294423102 1023037017 /nfs/dbraw/zinc/03/70/17/1023037017.db2.gz WXKJLDFLXAFTHM-LBPRGKRZSA-N -1 3 334.366 3.508 20 0 EHADHM O=C([O-])[C@@H](NCc1cccc(OC(F)(F)F)c1)c1cccs1 ZINC000426817245 1023063429 /nfs/dbraw/zinc/06/34/29/1023063429.db2.gz OJEKDXPXKYORMY-LBPRGKRZSA-N -1 3 331.315 3.562 20 0 EHADHM COc1ccccc1[C@H](NCc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000426819999 1023065624 /nfs/dbraw/zinc/06/56/24/1023065624.db2.gz XCRPZPDPFRSQOT-SFHVURJKSA-N -1 3 327.424 3.908 20 0 EHADHM C[C@H](CCOCc1ccccc1)NC(=O)c1cc([O-])ccc1Cl ZINC000290384901 1023163456 /nfs/dbraw/zinc/16/34/56/1023163456.db2.gz 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ZINC000431088936 1023241605 /nfs/dbraw/zinc/24/16/05/1023241605.db2.gz XZQFCFRWHYWORA-LLVKDONJSA-N -1 3 332.450 3.644 20 0 EHADHM Cc1nc(O[C@H](C)c2cc(Br)ccc2F)cc(=O)[n-]1 ZINC001226509937 1023283644 /nfs/dbraw/zinc/28/36/44/1023283644.db2.gz FMGSHZKTECRYGD-SSDOTTSWSA-N -1 3 327.153 3.532 20 0 EHADHM CC[C@@H]1CN(C(=O)c2c([O-])cccc2O)CC[C@@H]1c1ccccc1 ZINC000092123746 1023303010 /nfs/dbraw/zinc/30/30/10/1023303010.db2.gz WUJNYUWRLCYOOF-ZBFHGGJFSA-N -1 3 325.408 3.754 20 0 EHADHM O=C([O-])c1ccc2c(c1)CN(C[C@@H]1CCC3(CCCCC3)O1)CC2 ZINC000325999863 1023457331 /nfs/dbraw/zinc/45/73/31/1023457331.db2.gz FYSVBAIHNXULIW-SFHVURJKSA-N -1 3 329.440 3.625 20 0 EHADHM COc1cc(C(=O)N2CC3(CCCCC3)[C@H]2C(C)C)cc(OC)c1[O-] ZINC000458184749 1023620783 /nfs/dbraw/zinc/62/07/83/1023620783.db2.gz JQLQZIXBKPJFLK-GOSISDBHSA-N -1 3 347.455 3.840 20 0 EHADHM O=C([N-]c1c(F)cccc1Br)c1ncc(F)cc1F ZINC000192380303 1023998342 /nfs/dbraw/zinc/99/83/42/1023998342.db2.gz GFTZVCJJRKUMAN-UHFFFAOYSA-N -1 3 331.091 3.514 20 0 EHADHM CCc1cnc(CNC[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)s1 ZINC000417551108 1024011434 /nfs/dbraw/zinc/01/14/34/1024011434.db2.gz YIECEVRLWDYICG-GFCCVEGCSA-N -1 3 338.860 3.707 20 0 EHADHM CN(C)c1cc(Cl)cc(Cl)c1CN(CC(=O)[O-])CC(C)(C)C ZINC000665350875 1024165461 /nfs/dbraw/zinc/16/54/61/1024165461.db2.gz HZJGHLGTSLTHIV-UHFFFAOYSA-N -1 3 347.286 3.992 20 0 EHADHM C[C@@H](NC(=O)c1cc([O-])cc(Br)c1)C1CCCCC1 ZINC000700867175 1024180563 /nfs/dbraw/zinc/18/05/63/1024180563.db2.gz FSTDNNINTUAPJL-SNVBAGLBSA-N -1 3 326.234 3.853 20 0 EHADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C(C)C)C3CC3)cc2)cc(=O)[n-]1 ZINC000664431865 1024215950 /nfs/dbraw/zinc/21/59/50/1024215950.db2.gz UGKKUBDTLQFNRP-SFHVURJKSA-N -1 3 340.427 3.714 20 0 EHADHM O=C(Cn1nc(C(F)F)cc1C1CC1)Nc1cc(Cl)ccc1[O-] ZINC000142772211 1024295209 /nfs/dbraw/zinc/29/52/09/1024295209.db2.gz RRUFPTIHSWEUGJ-UHFFFAOYSA-N -1 3 341.745 3.696 20 0 EHADHM CC(C)(C)[C@@H](CC(=O)[O-])NCc1csc(COc2ccccc2)n1 ZINC000277252660 1024353881 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[O-]c1cc(Br)cnc1CN[C@@H](c1ccccn1)C1CCC1 ZINC000895583195 1024626871 /nfs/dbraw/zinc/62/68/71/1024626871.db2.gz YPKOROHOPBHWLY-MRXNPFEDSA-N -1 3 348.244 3.576 20 0 EHADHM CCCCCc1nnc([N-]C(=O)c2ccc3[nH]cnc3c2F)s1 ZINC000895606873 1024653778 /nfs/dbraw/zinc/65/37/78/1024653778.db2.gz GZTWRDWGNHENNX-UHFFFAOYSA-N -1 3 333.392 3.539 20 0 EHADHM CC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c1[O-] ZINC000514805085 1024759631 /nfs/dbraw/zinc/75/96/31/1024759631.db2.gz KLOWPZHQZZHTAK-ZIAGYGMSSA-N -1 3 329.783 3.990 20 0 EHADHM CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cccc([O-])c2Cl)C1 ZINC000507954910 1024783917 /nfs/dbraw/zinc/78/39/17/1024783917.db2.gz XETYGSKUCKLRDG-HIFRSBDPSA-N -1 3 338.879 3.562 20 0 EHADHM COc1ccc(S(=O)(=O)[N-]c2cc(C)c(OC)cc2C)c(C)c1C ZINC000435733345 1025112646 /nfs/dbraw/zinc/11/26/46/1025112646.db2.gz SPVUGXJZGQAYPG-UHFFFAOYSA-N -1 3 349.452 3.738 20 0 EHADHM CN(C)[C@H](C(=O)Nc1cc(Cl)ccc1[O-])c1cccc(Cl)c1 ZINC000521180836 1025256549 /nfs/dbraw/zinc/25/65/49/1025256549.db2.gz IESVGYUSZXJZCW-HNNXBMFYSA-N -1 3 339.222 3.940 20 0 EHADHM CCc1ccc([O-])c(C(=O)N(C)CCOc2ccccc2Cl)c1 ZINC000522777923 1025281331 /nfs/dbraw/zinc/28/13/31/1025281331.db2.gz JQSXWRQAZXNZPZ-UHFFFAOYSA-N -1 3 333.815 3.759 20 0 EHADHM C/C(=C/C(C)(C)C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000588504970 1025311594 /nfs/dbraw/zinc/31/15/94/1025311594.db2.gz RDQWTPJATQGNCG-NTMALXAHSA-N -1 3 326.234 3.763 20 0 EHADHM Cc1ccccc1-c1cc(=NC(=O)[C@H](c2cccnc2)C(C)C)[nH][n-]1 ZINC000436051833 1025333293 /nfs/dbraw/zinc/33/32/93/1025333293.db2.gz BSRFMVXJMPTFIE-IBGZPJMESA-N -1 3 334.423 3.580 20 0 EHADHM Cc1cccc([N-]S(=O)(=O)c2cnc3ccccc3c2)c1Cl ZINC000558669707 1025443816 /nfs/dbraw/zinc/44/38/16/1025443816.db2.gz XRFCHPAEUQYNND-UHFFFAOYSA-N -1 3 332.812 3.997 20 0 EHADHM CCC[C@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CCO1 ZINC000436531063 1025837501 /nfs/dbraw/zinc/83/75/01/1025837501.db2.gz CJKIOUDNPICGFI-KRWDZBQOSA-N -1 3 341.407 3.826 20 0 EHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](c2ccc(F)cc2)C(C)C)c1 ZINC000436516291 1025847389 /nfs/dbraw/zinc/84/73/89/1025847389.db2.gz YPPXLTJHIODAKM-GOSISDBHSA-N -1 3 344.386 3.617 20 0 EHADHM COc1cccc(N(CC(C)C)C(=O)c2cc(OC)ccc2[O-])c1 ZINC000436537381 1025866991 /nfs/dbraw/zinc/86/69/91/1025866991.db2.gz FOVHNTOPKQSEQU-UHFFFAOYSA-N -1 3 329.396 3.712 20 0 EHADHM C[C@H]1SCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])[C@@H]1C ZINC000436541013 1025870494 /nfs/dbraw/zinc/87/04/94/1025870494.db2.gz YQUITABCKRAGHJ-HUUCEWRRSA-N -1 3 341.476 3.949 20 0 EHADHM COc1ccc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c([O-])c1 ZINC000436577047 1025882419 /nfs/dbraw/zinc/88/24/19/1025882419.db2.gz SIZPIVPBMPSROV-KRWDZBQOSA-N -1 3 329.371 3.907 20 0 EHADHM CCCN(CC(C)(C)O)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436571051 1025903305 /nfs/dbraw/zinc/90/33/05/1025903305.db2.gz BTDMRYUGPRDIEK-UHFFFAOYSA-N -1 3 343.423 3.808 20 0 EHADHM CC(C)c1ccc(C(=O)N[C@H](C)c2nc(C(C)(C)C)no2)c([O-])c1 ZINC000436573648 1025906123 /nfs/dbraw/zinc/90/61/23/1025906123.db2.gz JBZQLCPPEMXPHD-LLVKDONJSA-N -1 3 331.416 3.687 20 0 EHADHM CC(C)c1ccc(C(=O)N(C)[C@@H](C)[C@@H]2Cc3ccccc3O2)c([O-])c1 ZINC000436611888 1025944201 /nfs/dbraw/zinc/94/42/01/1025944201.db2.gz ZJECAKQHGHFVSF-XOBRGWDASA-N -1 3 339.435 3.980 20 0 EHADHM CN(CCCCNC(=O)c1cc([O-])ccc1Cl)c1ccccc1 ZINC000277561738 1025969670 /nfs/dbraw/zinc/96/96/70/1025969670.db2.gz XHAGTHDJERLCRN-UHFFFAOYSA-N -1 3 332.831 3.692 20 0 EHADHM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(O)cc2[O-])o1 ZINC000436669792 1026008318 /nfs/dbraw/zinc/00/83/18/1026008318.db2.gz NVSPNHYPBUZJAY-LRDDRELGSA-N -1 3 329.396 3.867 20 0 EHADHM CCN1C(=O)c2ccccc2N[C@@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000042186099 1026039208 /nfs/dbraw/zinc/03/92/08/1026039208.db2.gz WCRVHXVDMAVIKM-INIZCTEOSA-N -1 3 332.787 3.641 20 0 EHADHM CN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@H]1CCCc2ccccc21 ZINC000516162366 1026049610 /nfs/dbraw/zinc/04/96/10/1026049610.db2.gz GQZCJMOYJQVTKG-IBGZPJMESA-N -1 3 332.403 3.678 20 0 EHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@@H]1C(F)F ZINC000436694782 1026053502 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Cc1cc(Br)c(C(=O)Nc2ncccc2[O-])cc1Cl ZINC000342563967 1026299006 /nfs/dbraw/zinc/29/90/06/1026299006.db2.gz BDBDAAFVUBZXJP-UHFFFAOYSA-N -1 3 341.592 3.764 20 0 EHADHM O=C(c1cc([O-])ccc1Cl)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000342605395 1026441552 /nfs/dbraw/zinc/44/15/52/1026441552.db2.gz ZBPCJSVHRQFGAW-UHFFFAOYSA-N -1 3 337.753 3.639 20 0 EHADHM CCc1ccc([O-])c(C(=O)Nc2cccc(Nc3cnn(C)c3)c2)c1 ZINC000531118453 1026609273 /nfs/dbraw/zinc/60/92/73/1026609273.db2.gz AWALJKXERPZWEI-UHFFFAOYSA-N -1 3 336.395 3.684 20 0 EHADHM COc1ccc(F)c([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1 ZINC000531526912 1027006282 /nfs/dbraw/zinc/00/62/82/1027006282.db2.gz ANWGUIISLLRGER-UHFFFAOYSA-N -1 3 337.416 3.834 20 0 EHADHM O=C(CCCOc1cccc(Cl)c1Cl)Nc1ncccc1[O-] ZINC000342797798 1027131066 /nfs/dbraw/zinc/13/10/66/1027131066.db2.gz SHPXKHRWHAFXDD-UHFFFAOYSA-N -1 3 341.194 3.892 20 0 EHADHM COc1cccc(C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)c1[O-] ZINC000302983717 1027390404 /nfs/dbraw/zinc/39/04/04/1027390404.db2.gz 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1027771260 /nfs/dbraw/zinc/77/12/60/1027771260.db2.gz LCZUEPGOVHDBLE-INIZCTEOSA-N -1 3 340.814 3.779 20 0 EHADHM COc1cc(C)c(NC(=O)c2ccc(C(C)=O)c([O-])c2)c(C)c1C ZINC000614834335 1028104018 /nfs/dbraw/zinc/10/40/18/1028104018.db2.gz OQDXRDKNJZCUBP-UHFFFAOYSA-N -1 3 327.380 3.781 20 0 EHADHM O=C(CSCc1ccncc1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134222911 1028104186 /nfs/dbraw/zinc/10/41/86/1028104186.db2.gz XOCLMJRQBRUELX-UHFFFAOYSA-N -1 3 342.342 3.678 20 0 EHADHM COc1nccc(Nc2cccc([O-])c2Br)c1Cl ZINC001211955511 1028137308 /nfs/dbraw/zinc/13/73/08/1028137308.db2.gz FIIOJAVJHMVHAZ-UHFFFAOYSA-N -1 3 329.581 3.955 20 0 EHADHM CC[C@@H](CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1Cl)OC ZINC000421240032 1028224520 /nfs/dbraw/zinc/22/45/20/1028224520.db2.gz VFFFEGRZMMIQNY-VIFPVBQESA-N -1 3 345.770 3.526 20 0 EHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(COc2ccccc2)cc1 ZINC000121156342 1028268006 /nfs/dbraw/zinc/26/80/06/1028268006.db2.gz YZBGJVWYZHRZRN-SFHVURJKSA-N -1 3 342.395 3.845 20 0 EHADHM 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CCCC(CCC)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648431929 1030888515 /nfs/dbraw/zinc/88/85/15/1030888515.db2.gz JIYNTJQOGYLOSZ-UHFFFAOYSA-N -1 3 325.762 3.676 20 0 EHADHM O=c1[n-]nc(SCCCCC(F)(F)F)n1CCc1ccccc1 ZINC000162179882 1030954239 /nfs/dbraw/zinc/95/42/39/1030954239.db2.gz XLHRHGMQUQTUCV-UHFFFAOYSA-N -1 3 345.390 3.639 20 0 EHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H](C)CC(C)(C)C)cc2)n1 ZINC000475704562 1031090783 /nfs/dbraw/zinc/09/07/83/1031090783.db2.gz HOFOZZFIDNWVCK-LBPRGKRZSA-N -1 3 327.428 3.756 20 0 EHADHM [O-]c1cccc(CNCCOC2CCCCC2)c1Br ZINC000315021107 1031267565 /nfs/dbraw/zinc/26/75/65/1031267565.db2.gz LGAMEDOQXJTYOF-UHFFFAOYSA-N -1 3 328.250 3.594 20 0 EHADHM COc1ccc([O-])c(C(=O)N(C)c2cccc(OC(F)(F)F)c2)c1 ZINC000483927770 1031395034 /nfs/dbraw/zinc/39/50/34/1031395034.db2.gz OYLGOHPEHGWLQS-UHFFFAOYSA-N -1 3 341.285 3.576 20 0 EHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3(CC)CCC3)c2)n1 ZINC000176752884 1031455871 /nfs/dbraw/zinc/45/58/71/1031455871.db2.gz 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1131633430 /nfs/dbraw/zinc/63/34/30/1131633430.db2.gz IROLILJSBJMPHE-OWBHPGMISA-N -1 3 333.395 3.607 20 0 EHADHM CCC(=CC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(C)cc1 ZINC000741664461 1131633432 /nfs/dbraw/zinc/63/34/32/1131633432.db2.gz IROLILJSBJMPHE-OWBHPGMISA-N -1 3 333.395 3.607 20 0 EHADHM CCOc1ccccc1OCCO[N-]C(=O)CCC1CCCCC1 ZINC000742357666 1131708803 /nfs/dbraw/zinc/70/88/03/1131708803.db2.gz GMYWPQCUFYTDCD-UHFFFAOYSA-N -1 3 335.444 3.872 20 0 EHADHM O=S(=O)([N-]C[C@@H]1CCC[C@@H]2C[C@@H]21)c1cccc(Cl)c1Cl ZINC001213135065 1131860135 /nfs/dbraw/zinc/86/01/35/1131860135.db2.gz GNHKIKGKDWBYPN-VWYCJHECSA-N -1 3 334.268 3.708 20 0 EHADHM Cc1ncc(N[C@@H](C)CC(c2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC001173214923 1132000573 /nfs/dbraw/zinc/00/05/73/1132000573.db2.gz MZINBSPOWOEMAQ-MGPUTAFESA-N -1 3 333.435 3.585 20 0 EHADHM O=C(OCCC1CCCCC1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000744722526 1132140404 /nfs/dbraw/zinc/14/04/04/1132140404.db2.gz AHAASFYJEYBZKP-QGZVFWFLSA-N -1 3 345.439 3.510 20 0 EHADHM Cc1cccc([N-]S(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)c1 ZINC001173809002 1132152384 /nfs/dbraw/zinc/15/23/84/1132152384.db2.gz SYUGCINLYAFHHG-UHFFFAOYSA-N -1 3 331.224 3.685 20 0 EHADHM COc1ccc(C(C)C)cc1Nc1cccc(C(=O)N(C)C)c1[O-] ZINC001173917132 1132174148 /nfs/dbraw/zinc/17/41/48/1132174148.db2.gz WNQZZRYFRALYCJ-UHFFFAOYSA-N -1 3 328.412 3.970 20 0 EHADHM CCOc1ncccc1Nc1cc(Br)cc(F)c1[O-] ZINC001174457849 1132375548 /nfs/dbraw/zinc/37/55/48/1132375548.db2.gz UQMNLELXMLJAAY-UHFFFAOYSA-N -1 3 327.153 3.831 20 0 EHADHM COC(=O)c1cc(Cl)c(Nc2c(F)cc([O-])cc2F)cc1OC ZINC001175102933 1132553388 /nfs/dbraw/zinc/55/33/88/1132553388.db2.gz PKCIVGKNRSBCFG-UHFFFAOYSA-N -1 3 343.713 3.863 20 0 EHADHM CCCCCOc1ccc([N-]S(=O)(=O)c2cc(N)ccc2C)cc1 ZINC001175297670 1132616737 /nfs/dbraw/zinc/61/67/37/1132616737.db2.gz WMLVHSAPFOAPBG-UHFFFAOYSA-N -1 3 348.468 3.947 20 0 EHADHM COc1ccc(Cn2nccc2Nc2c(F)ccc([O-])c2F)cc1 ZINC001175262836 1132622117 /nfs/dbraw/zinc/62/21/17/1132622117.db2.gz NVPNSCFUOSGEBH-UHFFFAOYSA-N -1 3 331.322 3.667 20 0 EHADHM COCCCOc1ccc(F)cc1Nc1c(F)ccc([O-])c1F ZINC001175267919 1132624229 /nfs/dbraw/zinc/62/42/29/1132624229.db2.gz CRLIHMHXCFDOAE-UHFFFAOYSA-N -1 3 327.302 3.968 20 0 EHADHM Cc1c(Br)cccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175429641 1132666636 /nfs/dbraw/zinc/66/66/36/1132666636.db2.gz XXMBQUUFKHITTA-UHFFFAOYSA-N -1 3 330.189 3.681 20 0 EHADHM COc1cc(Nc2ccc(-c3nn[n-]n3)cc2)ccc1C(F)(F)F ZINC001175429344 1132666669 /nfs/dbraw/zinc/66/66/69/1132666669.db2.gz HRVHJMIKULLVKA-UHFFFAOYSA-N -1 3 335.289 3.638 20 0 EHADHM Nc1ccc(-c2ccc(Nc3ccc(-c4nn[n-]n4)cc3)cc2)cc1 ZINC001175429859 1132666719 /nfs/dbraw/zinc/66/67/19/1132666719.db2.gz SBNYCUJITNMWQN-UHFFFAOYSA-N -1 3 328.379 3.860 20 0 EHADHM O=C(c1ccccc1)c1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001175429969 1132666735 /nfs/dbraw/zinc/66/67/35/1132666735.db2.gz YJTSCSOKSJAITM-UHFFFAOYSA-N -1 3 341.374 3.841 20 0 EHADHM COc1ccc(-c2nnn[n-]2)cc1NC/C=C(\C)CCC=C(C)C ZINC001169137306 1132667679 /nfs/dbraw/zinc/66/76/79/1132667679.db2.gz KSWURVRPHHYGHW-GXDHUFHOSA-N -1 3 327.432 3.980 20 0 EHADHM COc1ccc(-c2nn[n-]n2)cc1NC/C=C(\C)CCC=C(C)C ZINC001169137306 1132667685 /nfs/dbraw/zinc/66/76/85/1132667685.db2.gz KSWURVRPHHYGHW-GXDHUFHOSA-N -1 3 327.432 3.980 20 0 EHADHM c1ccc(Cc2ccc(Nc3ccc(-c4nn[n-]n4)cc3)cc2)nc1 ZINC001175433130 1132668128 /nfs/dbraw/zinc/66/81/28/1132668128.db2.gz PXSBWKGPIMPKQO-UHFFFAOYSA-N -1 3 328.379 3.596 20 0 EHADHM Cc1ccc(CCCNc2cc(C(F)(F)F)[n-]c(=S)n2)cn1 ZINC001169257148 1132711358 /nfs/dbraw/zinc/71/13/58/1132711358.db2.gz VTVNCZIQWJSZGC-UHFFFAOYSA-N -1 3 328.363 3.532 20 0 EHADHM CCOC(=O)c1oc2nccnc2c1Nc1ccc(Cl)c([O-])c1 ZINC001212588410 1132721321 /nfs/dbraw/zinc/72/13/21/1132721321.db2.gz PFHYVEZARFKXDU-UHFFFAOYSA-N -1 3 333.731 3.502 20 0 EHADHM CS(=O)(=O)c1cccc2cc(Nc3ccc(Cl)c([O-])c3)cnc21 ZINC001212591628 1132786965 /nfs/dbraw/zinc/78/69/65/1132786965.db2.gz WMBOJFOEHZCESF-UHFFFAOYSA-N -1 3 348.811 3.741 20 0 EHADHM CC(=O)OCc1cccc(Cl)c1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001212774731 1132926189 /nfs/dbraw/zinc/92/61/89/1132926189.db2.gz YDTAPNMDIBSVKP-UHFFFAOYSA-N -1 3 333.775 3.520 20 0 EHADHM O=C(COC(=O)c1cc2ccsc2[n-]1)COc1ccc(Cl)cc1 ZINC000767267646 1132977685 /nfs/dbraw/zinc/97/76/85/1132977685.db2.gz OUCBECTUWYYUBN-UHFFFAOYSA-N -1 3 349.795 3.688 20 0 EHADHM COc1cc(S(=O)(=O)[N-]c2c(C)cccc2Cl)cnc1Cl ZINC000767704633 1133034727 /nfs/dbraw/zinc/03/47/27/1133034727.db2.gz JESRPTNMDCFKFJ-UHFFFAOYSA-N -1 3 347.223 3.506 20 0 EHADHM CC(C)CC[C@@H]1CCCN1Cn1[n-]c(-c2ccccn2)nc1=S ZINC000767763443 1133048941 /nfs/dbraw/zinc/04/89/41/1133048941.db2.gz CFPXADVQDTYXRB-AWEZNQCLSA-N -1 3 331.489 3.861 20 0 EHADHM O=C(c1nnc2ccccc2c1[O-])N1CCC[C@H]1CCC1CCCC1 ZINC000768330845 1133125670 /nfs/dbraw/zinc/12/56/70/1133125670.db2.gz UPAKKOAZRZZEFM-HNNXBMFYSA-N -1 3 339.439 3.910 20 0 EHADHM CC(=O)[C@H](Cc1ccccc1F)OC(=O)c1cc2ccsc2[n-]1 ZINC000768456992 1133143612 /nfs/dbraw/zinc/14/36/12/1133143612.db2.gz DPSDNQKVMKNYNO-HNNXBMFYSA-N -1 3 331.368 3.726 20 0 EHADHM COc1cc(F)ccc1[N-]S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000768867171 1133192840 /nfs/dbraw/zinc/19/28/40/1133192840.db2.gz TXSULRYKQMKYBS-BQYQJAHWSA-N -1 3 341.791 3.900 20 0 EHADHM CCCC(=CC(=O)Nc1cc(C(=O)OC)cc(OC)c1[O-])CCC ZINC001179882781 1133299462 /nfs/dbraw/zinc/29/94/62/1133299462.db2.gz BJLLTYQIAIXHNN-UHFFFAOYSA-N -1 3 335.400 3.653 20 0 EHADHM COc1ccc2c(c1)CCCN2C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000769651276 1133326113 /nfs/dbraw/zinc/32/61/13/1133326113.db2.gz CBLKIRYDYPIQJF-UHFFFAOYSA-N -1 3 337.419 3.873 20 0 EHADHM CCc1cccc(C(=O)N2[C@H](C)CO[C@@H](c3ccccc3)[C@@H]2C)c1[O-] ZINC000769809140 1133349464 /nfs/dbraw/zinc/34/94/64/1133349464.db2.gz BNACQIHAVLQZIS-QEEYODRMSA-N -1 3 339.435 3.945 20 0 EHADHM CCC[C@](C)(NC(=O)c1nnc2ccccc2c1[O-])c1ccccc1 ZINC001180680779 1133405924 /nfs/dbraw/zinc/40/59/24/1133405924.db2.gz AKMOYRYAASBLME-FQEVSTJZSA-N -1 3 335.407 3.781 20 0 EHADHM Cc1nc(NC(=O)Cc2csc3ccc(Cl)cc23)cc(=O)[n-]1 ZINC001181422989 1133485014 /nfs/dbraw/zinc/48/50/14/1133485014.db2.gz JRLHQRWYYNJCID-UHFFFAOYSA-N -1 3 333.800 3.540 20 0 EHADHM CC(=O)c1cccc([O-])c1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC001181780328 1133526965 /nfs/dbraw/zinc/52/69/65/1133526965.db2.gz FBOCEQLPLRBPAV-LLVKDONJSA-N -1 3 333.771 3.654 20 0 EHADHM [O-]c1cc2ccccc2cc1-c1nc(-c2cccn3ccnc23)no1 ZINC000771427096 1133556782 /nfs/dbraw/zinc/55/67/82/1133556782.db2.gz DWEKZNNWKHZNBQ-UHFFFAOYSA-N -1 3 328.331 3.910 20 0 EHADHM CC1(C)Cc2cc(C(=O)[N-]N3CCCC3=O)sc2-c2ccccc21 ZINC000780706198 1133613332 /nfs/dbraw/zinc/61/33/32/1133613332.db2.gz HGOAFHFDEAGZNT-UHFFFAOYSA-N -1 3 340.448 3.516 20 0 EHADHM COc1ccc(C(C)(C)CC(=O)Nc2c([O-])cccc2C(C)=O)cc1 ZINC001182439543 1133660444 /nfs/dbraw/zinc/66/04/44/1133660444.db2.gz CGHJUPWAHYGEQO-UHFFFAOYSA-N -1 3 341.407 3.910 20 0 EHADHM Cc1cccc([C@@H](C)[N-]C(=O)C(F)(F)OCC(F)(F)F)c1C ZINC001183198225 1133778743 /nfs/dbraw/zinc/77/87/43/1133778743.db2.gz XZYPHRWMEQSZKB-SNVBAGLBSA-N -1 3 325.277 3.652 20 0 EHADHM COc1cccc(C(=O)Nc2ccc3c(Cl)cccc3n2)c1[O-] ZINC001183415721 1133804091 /nfs/dbraw/zinc/80/40/91/1133804091.db2.gz QGSZXGQHORYIDB-UHFFFAOYSA-N -1 3 328.755 3.855 20 0 EHADHM O=C(COC(=O)c1cc2sccc2c([O-])c1)c1cc(F)ccc1F ZINC000786132607 1133811883 /nfs/dbraw/zinc/81/18/83/1133811883.db2.gz VVPOJZWXBJBOSX-UHFFFAOYSA-N -1 3 348.326 3.925 20 0 EHADHM CCOC(=O)Nc1ccc(NC(=O)c2ccc(CC)cc2[O-])cc1 ZINC000786778408 1133902119 /nfs/dbraw/zinc/90/21/19/1133902119.db2.gz NONQXTXJNBSLRZ-UHFFFAOYSA-N -1 3 328.368 3.775 20 0 EHADHM CCC1(CC)Oc2ccc(NC([O-])=NO[C@@H]3CCCCO3)cc2O1 ZINC000787487830 1134013388 /nfs/dbraw/zinc/01/33/88/1134013388.db2.gz TWEXHXBDDALZJY-OAHLLOKOSA-N -1 3 336.388 3.554 20 0 EHADHM CCC1(CC)Oc2ccc(NC(=O)[N-]O[C@@H]3CCCCO3)cc2O1 ZINC000787487830 1134013396 /nfs/dbraw/zinc/01/33/96/1134013396.db2.gz TWEXHXBDDALZJY-OAHLLOKOSA-N -1 3 336.388 3.554 20 0 EHADHM COCc1cccc(COC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000787847178 1134046731 /nfs/dbraw/zinc/04/67/31/1134046731.db2.gz YYQODGQJMYIZDP-UHFFFAOYSA-N -1 3 332.371 3.744 20 0 EHADHM COc1cc(CNC(=O)Nc2cc(C)ccc2F)cc(Cl)c1[O-] ZINC001185277476 1134061713 /nfs/dbraw/zinc/06/17/13/1134061713.db2.gz DGKSPKRPNZNJKE-UHFFFAOYSA-N -1 3 338.766 3.823 20 0 EHADHM O=S(=O)([N-]c1cccc(OC(F)(F)F)c1F)c1ccsc1 ZINC001185390335 1134076686 /nfs/dbraw/zinc/07/66/86/1134076686.db2.gz FSAYTSWNMKGQCV-UHFFFAOYSA-N -1 3 341.307 3.587 20 0 EHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(C)C)C2)c(F)cc1F ZINC001186696634 1134245589 /nfs/dbraw/zinc/24/55/89/1134245589.db2.gz IAHNRTWNRAFERK-QWHCGFSZSA-N -1 3 331.428 3.766 20 0 EHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]2Cc2ccccc2)sc1Cl ZINC001187071323 1134292531 /nfs/dbraw/zinc/29/25/31/1134292531.db2.gz DUBOODAUFRGXGM-QWHCGFSZSA-N -1 3 341.885 3.619 20 0 EHADHM O=C(O[C@@H]([C@H]1CCCOC1)C(F)(F)F)c1cc2ccsc2[n-]1 ZINC000789647803 1134310125 /nfs/dbraw/zinc/31/01/25/1134310125.db2.gz BSAXSMXQPHJBFT-ONGXEEELSA-N -1 3 333.331 3.744 20 0 EHADHM Cc1nocc1S(=O)(=O)[N-][C@@H](CC(C)C)c1ccc(Cl)cc1 ZINC001187275863 1134318501 /nfs/dbraw/zinc/31/85/01/1134318501.db2.gz WWRSCXVBWXMJHN-AWEZNQCLSA-N -1 3 342.848 3.702 20 0 EHADHM COc1cc(CNC(=O)Nc2cc(F)cc(F)c2)cc(Cl)c1[O-] ZINC001187595246 1134350867 /nfs/dbraw/zinc/35/08/67/1134350867.db2.gz QWDOMHNKIQOBEP-UHFFFAOYSA-N -1 3 342.729 3.654 20 0 EHADHM O=c1ccnc([C@H]2CC[C@H](Nc3cc(-c4ccccc4)ncn3)CC2)[n-]1 ZINC001187870379 1134395952 /nfs/dbraw/zinc/39/59/52/1134395952.db2.gz APULRNGHPPXPEV-WKILWMFISA-N -1 3 347.422 3.778 20 0 EHADHM CC(=O)c1ccc([N-]C(=O)c2ncsc2C(F)(F)F)c(F)c1 ZINC001188215334 1134442592 /nfs/dbraw/zinc/44/25/92/1134442592.db2.gz WZVPNKJWRDWQTL-UHFFFAOYSA-N -1 3 332.278 3.756 20 0 EHADHM Cc1ccc(S(=O)(=O)[N-]CC(C)(C)Cc2cccc(Cl)c2)o1 ZINC001188230181 1134445115 /nfs/dbraw/zinc/44/51/15/1134445115.db2.gz IPVGCBDCNGFBCC-UHFFFAOYSA-N -1 3 341.860 3.789 20 0 EHADHM Cc1cccc([O-])c1C(=O)N1CCn2cccc2[C@H]1c1ccccc1 ZINC001188638643 1134492177 /nfs/dbraw/zinc/49/21/77/1134492177.db2.gz OZMTXLUMTRSKFJ-HXUWFJFHSA-N -1 3 332.403 3.748 20 0 EHADHM COC(=O)c1ccc([O-])cc1NC(=O)Nc1cccc2ccccc21 ZINC001188943728 1134523464 /nfs/dbraw/zinc/52/34/64/1134523464.db2.gz RMENBTPIXGIZJL-UHFFFAOYSA-N -1 3 336.347 3.976 20 0 EHADHM COc1cc(C(=O)[N-]c2ccccc2SC(C)(C)C)c(OC)nn1 ZINC001189072656 1134541969 /nfs/dbraw/zinc/54/19/69/1134541969.db2.gz JLDXFCRCMKOGHK-UHFFFAOYSA-N -1 3 347.440 3.637 20 0 EHADHM CCOC(=O)c1cc([N-]C(=O)Nc2cccc(Cl)c2Cl)on1 ZINC001189201876 1134551328 /nfs/dbraw/zinc/55/13/28/1134551328.db2.gz KDNSMUHWDWPPIA-UHFFFAOYSA-N -1 3 344.154 3.802 20 0 EHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)c(Cl)cc2F)c1 ZINC001189239408 1134555495 /nfs/dbraw/zinc/55/54/95/1134555495.db2.gz NLONFCQSCYVBIP-UHFFFAOYSA-N -1 3 345.754 3.622 20 0 EHADHM O=S(=O)(Cc1cccc(F)c1F)[N-]c1cccc(Cl)c1F ZINC001189454115 1134590143 /nfs/dbraw/zinc/59/01/43/1134590143.db2.gz ISESIXQOIPQDPF-UHFFFAOYSA-N -1 3 335.734 3.699 20 0 EHADHM COc1cc(Cl)ccc1[N-]S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000775294604 1134616761 /nfs/dbraw/zinc/61/67/61/1134616761.db2.gz 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HPFQOOPZASPMGN-UHFFFAOYSA-N -1 3 347.374 3.600 20 0 EHADHM C/C=C/C[C@H](CO)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843856106 1137184695 /nfs/dbraw/zinc/18/46/95/1137184695.db2.gz HGBASADDJBPFKF-GKQMSVHHSA-N -1 3 338.181 3.529 20 0 EHADHM CC(C)c1ncc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)cn1 ZINC000794616062 1137221116 /nfs/dbraw/zinc/22/11/16/1137221116.db2.gz HLGSIENNKAHRMD-BQYQJAHWSA-N -1 3 337.832 3.666 20 0 EHADHM CCCC(=O)C(=O)[N-]c1cc(-c2cccc(C(F)(F)F)c2)no1 ZINC001144030448 1137227791 /nfs/dbraw/zinc/22/77/91/1137227791.db2.gz YJAOUBHXYAOLBO-UHFFFAOYSA-N -1 3 326.274 3.668 20 0 EHADHM Cc1c([O-])ccc2c(CN3CCc4sccc4[C@@H]3C)cc(=O)oc12 ZINC000015547825 1137270364 /nfs/dbraw/zinc/27/03/64/1137270364.db2.gz SYMUOJBBUBBADL-LBPRGKRZSA-N -1 3 341.432 3.988 20 0 EHADHM CC[C@@H](C)CO[N-]C(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000794843518 1137285284 /nfs/dbraw/zinc/28/52/84/1137285284.db2.gz RPAPHLFJTRILBK-CQSZACIVSA-N -1 3 342.480 3.508 20 0 EHADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cccc(OC(F)(F)F)c1F ZINC001144631050 1137320967 /nfs/dbraw/zinc/32/09/67/1137320967.db2.gz DHGUJWBSULUQJE-UHFFFAOYSA-N -1 3 347.239 3.750 20 0 EHADHM O=C([O-])[C@@]12CCC[C@@H]1CN(Cc1cc(Cl)ccc1OC(F)F)C2 ZINC000846283878 1137345165 /nfs/dbraw/zinc/34/51/65/1137345165.db2.gz JZAKUVABIWBTPL-BDJLRTHQSA-N -1 3 345.773 3.628 20 0 EHADHM CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001145027390 1137380788 /nfs/dbraw/zinc/38/07/88/1137380788.db2.gz MWDJAWOTIJNMTM-ZDUSSCGKSA-N -1 3 342.823 3.678 20 0 EHADHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1C2CCCC1CCC2 ZINC001146507739 1137390858 /nfs/dbraw/zinc/39/08/58/1137390858.db2.gz MBQSKZHHFXKQCD-UHFFFAOYSA-N -1 3 330.815 3.729 20 0 EHADHM CC(C)c1cnc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)s1 ZINC001147164530 1137401372 /nfs/dbraw/zinc/40/13/72/1137401372.db2.gz XYHJZPLTZKAWJG-UHFFFAOYSA-N -1 3 349.362 3.639 20 0 EHADHM C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1cccc(Cl)c1Cl ZINC001147411101 1137406502 /nfs/dbraw/zinc/40/65/02/1137406502.db2.gz SDFRBPAPTAUHNN-MRVPVSSYSA-N -1 3 326.179 3.896 20 0 EHADHM Cc1ccc2nc(C(=O)[N-]c3nsc4ncccc34)sc2c1 ZINC001147553568 1137409007 /nfs/dbraw/zinc/40/90/07/1137409007.db2.gz HEDFEOZPUSIZAP-UHFFFAOYSA-N -1 3 326.406 3.862 20 0 EHADHM COc1cccc(C(=O)Nc2ccc3c(c2)Cc2cc(N)ccc2-3)c1[O-] ZINC001148202034 1137420342 /nfs/dbraw/zinc/42/03/42/1137420342.db2.gz KXTOBRSASDFIBB-UHFFFAOYSA-N -1 3 346.386 3.807 20 0 EHADHM CC(=O)c1cc(C(=O)Nc2ccc(Cl)c3nsnc32)ccc1[O-] ZINC001148664435 1137431328 /nfs/dbraw/zinc/43/13/28/1137431328.db2.gz MWRPUVIJPKNTRY-UHFFFAOYSA-N -1 3 347.783 3.505 20 0 EHADHM Cc1ccc(S(=O)(=O)[N-]C2(c3ccc(F)cc3F)CCCC2)o1 ZINC000773333811 1137491903 /nfs/dbraw/zinc/49/19/03/1137491903.db2.gz OXILGVROAAOGKC-UHFFFAOYSA-N -1 3 341.379 3.614 20 0 EHADHM O=c1[n-]c(NC2CCN(c3cccnc3)CC2)c(Cl)cc1Cl ZINC001171466375 1137492395 /nfs/dbraw/zinc/49/23/95/1137492395.db2.gz LTZZUMFXTGZHKN-UHFFFAOYSA-N -1 3 339.226 3.570 20 0 EHADHM Nc1ccc(C(=O)N2CCC(Cc3ccc(Cl)cc3)CC2)c([O-])c1 ZINC000870981759 1137517083 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Cc1ccc(Cl)cc1-c1noc(-c2nn[n-]c2C(F)(F)F)n1 ZINC001212653089 1137548909 /nfs/dbraw/zinc/54/89/09/1137548909.db2.gz XECBSAOERQUPDS-UHFFFAOYSA-N -1 3 329.669 3.502 20 0 EHADHM COc1ccc(C(=O)[O-])c2c1CN(C[C@H]1CC(C)=C[C@H](C)C1)CC2 ZINC000871620874 1137549773 /nfs/dbraw/zinc/54/97/73/1137549773.db2.gz NJLOCVUHDAKJNT-DZGCQCFKSA-N -1 3 329.440 3.744 20 0 EHADHM CC[C@@H](N[C@@H](C)c1cccc([O-])c1F)c1nnc2n1CCCCC2 ZINC000872030318 1137566359 /nfs/dbraw/zinc/56/63/59/1137566359.db2.gz CUJRKHLHZNJDAA-GXTWGEPZSA-N -1 3 332.423 3.651 20 0 EHADHM C[C@@H](N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1cccc([O-])c1F ZINC000872051564 1137568064 /nfs/dbraw/zinc/56/80/64/1137568064.db2.gz LIKGRVBUVQJPKF-QMTHXVAHSA-N -1 3 343.320 3.934 20 0 EHADHM O=C([O-])c1cccnc1CN1CCC(Cc2ccc(Cl)cc2)CC1 ZINC000872163350 1137574687 /nfs/dbraw/zinc/57/46/87/1137574687.db2.gz DUUNIMOHEZHDIS-UHFFFAOYSA-N -1 3 344.842 3.888 20 0 EHADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1c(Cl)cncc1Cl ZINC000873640313 1137605597 /nfs/dbraw/zinc/60/55/97/1137605597.db2.gz CBPPEIDZANLMNA-FZQKWOKYSA-N -1 3 329.227 3.606 20 0 EHADHM O=C1[N-]C(=O)C(=CNc2ccc(Cl)c3cccnc23)c2ccccc21 ZINC000874045337 1137609763 /nfs/dbraw/zinc/60/97/63/1137609763.db2.gz WISSHHPKWDIIDG-GXDHUFHOSA-N -1 3 349.777 3.611 20 0 EHADHM C[C@]1(C(F)(F)F)CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000874476939 1137614909 /nfs/dbraw/zinc/61/49/09/1137614909.db2.gz CGHWWIUKTUTEAR-HNNXBMFYSA-N -1 3 333.325 3.655 20 0 EHADHM Cc1csc([C@@H]2CCN(C(=O)c3ccc(C(C)C)cc3[O-])C2)n1 ZINC000874495628 1137616149 /nfs/dbraw/zinc/61/61/49/1137616149.db2.gz YMEUXWZEAKOHJZ-CQSZACIVSA-N -1 3 330.453 3.910 20 0 EHADHM O=C(OCc1cnn(-c2ccccc2)c1)c1cc(Cl)c(Cl)[n-]1 ZINC000021731065 1137656523 /nfs/dbraw/zinc/65/65/23/1137656523.db2.gz WFBKMCGQZFSYDM-UHFFFAOYSA-N -1 3 336.178 3.864 20 0 EHADHM Cc1nc(C(C)(C)NCc2nnc(-c3ccccc3[O-])o2)sc1C ZINC000878261038 1137708992 /nfs/dbraw/zinc/70/89/92/1137708992.db2.gz FCMYCORHUVNVFT-UHFFFAOYSA-N -1 3 344.440 3.540 20 0 EHADHM O=C(c1cc([O-])ccc1Cl)N1CCCC[C@H](C2CCOCC2)C1 ZINC000882914734 1137838286 /nfs/dbraw/zinc/83/82/86/1137838286.db2.gz YGYDSGRDSRHKDK-AWEZNQCLSA-N -1 3 337.847 3.715 20 0 EHADHM CC(C)(C)c1nc2ccc(NC(=O)c3cc(F)ccc3[O-])cc2[nH]1 ZINC001626122895 1137870710 /nfs/dbraw/zinc/87/07/10/1137870710.db2.gz NGLYZDNVMLDBPO-UHFFFAOYSA-N -1 3 327.359 3.957 20 0 EHADHM CC(C)c1ccc(C(=O)NCCOc2ccc(F)cc2F)c([O-])c1 ZINC001137202849 1137908844 /nfs/dbraw/zinc/90/88/44/1137908844.db2.gz AZHCLSNPQMVOOG-UHFFFAOYSA-N -1 3 335.350 3.603 20 0 EHADHM Cc1csc(C(C)(C)NCc2cc(=O)oc3c(C)c([O-])ccc23)n1 ZINC000118849562 1137935910 /nfs/dbraw/zinc/93/59/10/1137935910.db2.gz GBVXXRSEDAMWNB-UHFFFAOYSA-N -1 3 344.436 3.597 20 0 EHADHM CC[C@H]1CCCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1 ZINC000332518606 1137946158 /nfs/dbraw/zinc/94/61/58/1137946158.db2.gz BJRSGRSODMHBKI-AWEZNQCLSA-N -1 3 340.427 3.812 20 0 EHADHM COc1ccc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)c([O-])c1 ZINC000075200083 1138126136 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CCOc1ccc([C@H](C)N[C@H](C)c2nc(C)cc(=O)[n-]2)cc1OCC ZINC000192720969 1140546339 /nfs/dbraw/zinc/54/63/39/1140546339.db2.gz CWKDBFQPHCKPFV-UONOGXRCSA-N -1 3 345.443 3.700 20 0 EHADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](C)c2ccc(Br)cc2)n1 ZINC000192729612 1140547597 /nfs/dbraw/zinc/54/75/97/1140547597.db2.gz AKTSNCAXVOROKR-MNOVXSKESA-N -1 3 336.233 3.665 20 0 EHADHM CCCCO[C@H]1C[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C1(C)C ZINC000267227455 1140769633 /nfs/dbraw/zinc/76/96/33/1140769633.db2.gz IOMWLOCKMVMZBE-MSOLQXFVSA-N -1 3 342.439 3.654 20 0 EHADHM CC(C)c1ccc(CC[N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000096743570 1140786726 /nfs/dbraw/zinc/78/67/26/1140786726.db2.gz UGJAWTJVIVMZBO-UHFFFAOYSA-N -1 3 339.407 3.609 20 0 EHADHM COc1ccc(C(=O)Nc2ccccc2[O-])cc1OC1CCCC1 ZINC000012360759 211356179 /nfs/dbraw/zinc/35/61/79/211356179.db2.gz IQXZZMQVZYPBLT-UHFFFAOYSA-N -1 3 327.380 3.975 20 0 EHADHM Cc1ccc([O-])c(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1 ZINC000011917716 211269621 /nfs/dbraw/zinc/26/96/21/211269621.db2.gz VTKONRFHKOTXTD-UHFFFAOYSA-N -1 3 325.364 3.994 20 0 EHADHM C[C@@H]1C[C@H](C)CN(Cc2cc(C(=O)[O-])ccc2Br)C1 ZINC000675074080 564112953 /nfs/dbraw/zinc/11/29/53/564112953.db2.gz XHVHGWCNTOAKJE-PHIMTYICSA-N -1 3 326.234 3.625 20 0 EHADHM FC(F)(F)CCCCSCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826367792 607785137 /nfs/dbraw/zinc/78/51/37/607785137.db2.gz OHIIOADMEDMXCH-UHFFFAOYSA-N -1 3 346.378 3.711 20 0 EHADHM Cc1cccc([C@@H](C)C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737389775 598910037 /nfs/dbraw/zinc/91/00/37/598910037.db2.gz PQRBKJLMYJPVJK-ZIAGYGMSSA-N -1 3 336.395 3.583 20 0 EHADHM Cc1cccc([C@@H](C)C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737389775 598910039 /nfs/dbraw/zinc/91/00/39/598910039.db2.gz PQRBKJLMYJPVJK-ZIAGYGMSSA-N -1 3 336.395 3.583 20 0 EHADHM Clc1cc(N2CCC[C@]3(CC=CCC3)C2)ccc1-c1nnn[n-]1 ZINC000737566554 598916336 /nfs/dbraw/zinc/91/63/36/598916336.db2.gz UZGUDNGBMITHRW-QGZVFWFLSA-N -1 3 329.835 3.847 20 0 EHADHM Clc1cc(N2CCC[C@]3(CC=CCC3)C2)ccc1-c1nn[n-]n1 ZINC000737566554 598916337 /nfs/dbraw/zinc/91/63/37/598916337.db2.gz UZGUDNGBMITHRW-QGZVFWFLSA-N -1 3 329.835 3.847 20 0 EHADHM CC1(C)CN(c2ncc(-c3nnn[n-]3)cc2Cl)[C@H]1c1ccccc1 ZINC000736213592 598938093 /nfs/dbraw/zinc/93/80/93/598938093.db2.gz KVWUGQRSFPBZMT-AWEZNQCLSA-N -1 3 340.818 3.503 20 0 EHADHM CC1(C)CN(c2ncc(-c3nn[n-]n3)cc2Cl)[C@H]1c1ccccc1 ZINC000736213592 598938095 /nfs/dbraw/zinc/93/80/95/598938095.db2.gz KVWUGQRSFPBZMT-AWEZNQCLSA-N -1 3 340.818 3.503 20 0 EHADHM Clc1ccc(CCCSc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737574619 598938923 /nfs/dbraw/zinc/93/89/23/598938923.db2.gz IGIDKPQWYHCFCV-UHFFFAOYSA-N -1 3 331.832 3.640 20 0 EHADHM Clc1ccc(CCCSc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737574619 598938925 /nfs/dbraw/zinc/93/89/25/598938925.db2.gz IGIDKPQWYHCFCV-UHFFFAOYSA-N -1 3 331.832 3.640 20 0 EHADHM O=C(CCC1CC1)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737824819 598979584 /nfs/dbraw/zinc/97/95/84/598979584.db2.gz UGDSYMMSHRSATH-UHFFFAOYSA-N -1 3 334.379 3.629 20 0 EHADHM O=C(CCC1CC1)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737824819 598979585 /nfs/dbraw/zinc/97/95/85/598979585.db2.gz UGDSYMMSHRSATH-UHFFFAOYSA-N -1 3 334.379 3.629 20 0 EHADHM CC(C)C[C@@H]1CCCCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735794803 599011766 /nfs/dbraw/zinc/01/17/66/599011766.db2.gz FGXYCDMRWRQMGR-INIZCTEOSA-N -1 3 342.447 3.689 20 0 EHADHM CC(C)C[C@@H]1CCCCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735794803 599011768 /nfs/dbraw/zinc/01/17/68/599011768.db2.gz FGXYCDMRWRQMGR-INIZCTEOSA-N -1 3 342.447 3.689 20 0 EHADHM Cc1ccc([C@@H](C)Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000737320491 599046703 /nfs/dbraw/zinc/04/67/03/599046703.db2.gz LLKFYVAPKJTYGU-SNVBAGLBSA-N -1 3 348.332 3.762 20 0 EHADHM Cc1ccc([C@@H](C)Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000737320491 599046707 /nfs/dbraw/zinc/04/67/07/599046707.db2.gz LLKFYVAPKJTYGU-SNVBAGLBSA-N -1 3 348.332 3.762 20 0 EHADHM Cc1ccnc(-c2ccc(Nc3cccc(F)c3-c3nnn[n-]3)cc2)n1 ZINC000737436229 599061271 /nfs/dbraw/zinc/06/12/71/599061271.db2.gz IETPAMFWHSPHNI-UHFFFAOYSA-N -1 3 347.357 3.515 20 0 EHADHM Cc1ccnc(-c2ccc(Nc3cccc(F)c3-c3nn[n-]n3)cc2)n1 ZINC000737436229 599061274 /nfs/dbraw/zinc/06/12/74/599061274.db2.gz IETPAMFWHSPHNI-UHFFFAOYSA-N -1 3 347.357 3.515 20 0 EHADHM CCc1c(C)sc(NC(=O)[C@@H]2CCC[C@H](C)C2)c1-c1nnn[n-]1 ZINC000736669736 599072690 /nfs/dbraw/zinc/07/26/90/599072690.db2.gz IZBHHIKTUIQGPJ-GXSJLCMTSA-N -1 3 333.461 3.564 20 0 EHADHM CCc1c(C)sc(NC(=O)[C@@H]2CCC[C@H](C)C2)c1-c1nn[n-]n1 ZINC000736669736 599072695 /nfs/dbraw/zinc/07/26/95/599072695.db2.gz IZBHHIKTUIQGPJ-GXSJLCMTSA-N -1 3 333.461 3.564 20 0 EHADHM CCCCCC[C@](C)(CC)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000742649684 599139370 /nfs/dbraw/zinc/13/93/70/599139370.db2.gz KTTXZXICUOQWOK-IBGZPJMESA-N -1 3 343.475 3.870 20 0 EHADHM CCCCCC[C@](C)(CC)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000742649684 599139372 /nfs/dbraw/zinc/13/93/72/599139372.db2.gz KTTXZXICUOQWOK-IBGZPJMESA-N -1 3 343.475 3.870 20 0 EHADHM c1cc(CNc2cccc(N3CCCCCC3)c2)cc(-c2nnn[n-]2)c1 ZINC000823751625 607318035 /nfs/dbraw/zinc/31/80/35/607318035.db2.gz NJQSIQOZWHHVOR-UHFFFAOYSA-N -1 3 348.454 3.859 20 0 EHADHM c1cc(CNc2cccc(N3CCCCCC3)c2)cc(-c2nn[n-]n2)c1 ZINC000823751625 607318036 /nfs/dbraw/zinc/31/80/36/607318036.db2.gz NJQSIQOZWHHVOR-UHFFFAOYSA-N -1 3 348.454 3.859 20 0 EHADHM CC[C@@H](C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736319409 598232030 /nfs/dbraw/zinc/23/20/30/598232030.db2.gz KFPWUPNQQXBISI-GFCCVEGCSA-N -1 3 337.383 3.644 20 0 EHADHM CC[C@@H](C)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736319409 598232032 /nfs/dbraw/zinc/23/20/32/598232032.db2.gz KFPWUPNQQXBISI-GFCCVEGCSA-N -1 3 337.383 3.644 20 0 EHADHM CC(C)Oc1cccc([C@H](C)Nc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000735914664 598237689 /nfs/dbraw/zinc/23/76/89/598237689.db2.gz XZPUARQMRNBJGG-LBPRGKRZSA-N -1 3 341.390 3.966 20 0 EHADHM COc1ccccc1[C@@H](C)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737141982 598274169 /nfs/dbraw/zinc/27/41/69/598274169.db2.gz LPDBSNIMBMYZMF-SNVBAGLBSA-N -1 3 329.791 3.702 20 0 EHADHM COc1ccccc1[C@@H](C)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737141982 598274171 /nfs/dbraw/zinc/27/41/71/598274171.db2.gz LPDBSNIMBMYZMF-SNVBAGLBSA-N -1 3 329.791 3.702 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)CCC1CCCCC1 ZINC000737291110 598292919 /nfs/dbraw/zinc/29/29/19/598292919.db2.gz HZBPBRFMDBPDIF-UHFFFAOYSA-N -1 3 342.447 3.609 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)CCC1CCCCC1 ZINC000737291110 598292920 /nfs/dbraw/zinc/29/29/20/598292920.db2.gz HZBPBRFMDBPDIF-UHFFFAOYSA-N -1 3 342.447 3.609 20 0 EHADHM C(=Cc1ccc(-c2nnn[n-]2)cn1)c1cnc(-c2ccccc2)s1 ZINC000735399835 598438762 /nfs/dbraw/zinc/43/87/62/598438762.db2.gz LKJCXYYRUQMCGG-CMDGGOBGSA-N -1 3 332.392 3.556 20 0 EHADHM C(=Cc1ccc(-c2nn[n-]n2)cn1)c1cnc(-c2ccccc2)s1 ZINC000735399835 598438764 /nfs/dbraw/zinc/43/87/64/598438764.db2.gz LKJCXYYRUQMCGG-CMDGGOBGSA-N -1 3 332.392 3.556 20 0 EHADHM Fc1ccc([C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C2CCCC2)cc1 ZINC000737651118 598521247 /nfs/dbraw/zinc/52/12/47/598521247.db2.gz PMTGGJZTEDSPTL-KRWDZBQOSA-N -1 3 338.390 3.744 20 0 EHADHM Fc1ccc([C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C2CCCC2)cc1 ZINC000737651118 598521249 /nfs/dbraw/zinc/52/12/49/598521249.db2.gz PMTGGJZTEDSPTL-KRWDZBQOSA-N -1 3 338.390 3.744 20 0 EHADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1ccco1 ZINC000738173885 598555727 /nfs/dbraw/zinc/55/57/27/598555727.db2.gz VDMOIVVKZRGONL-UHFFFAOYSA-N -1 3 347.334 3.504 20 0 EHADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1ccco1 ZINC000738173885 598555728 /nfs/dbraw/zinc/55/57/28/598555728.db2.gz VDMOIVVKZRGONL-UHFFFAOYSA-N -1 3 347.334 3.504 20 0 EHADHM c1cc(Oc2ccc(-c3nn[n-]n3)cc2)cc(-c2nc(C3CC3)no2)c1 ZINC000738420799 598610322 /nfs/dbraw/zinc/61/03/22/598610322.db2.gz LYEIBRNSBBPGGA-UHFFFAOYSA-N -1 3 346.350 3.586 20 0 EHADHM CC(C)Oc1ccccc1CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735913985 598655753 /nfs/dbraw/zinc/65/57/53/598655753.db2.gz OZGCKGOSFMQKEZ-UHFFFAOYSA-N -1 3 343.818 3.919 20 0 EHADHM CC(C)Oc1ccccc1CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735913985 598655755 /nfs/dbraw/zinc/65/57/55/598655755.db2.gz OZGCKGOSFMQKEZ-UHFFFAOYSA-N -1 3 343.818 3.919 20 0 EHADHM Cc1ccc2c(c1)CC[C@@H]2Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737376497 598658277 /nfs/dbraw/zinc/65/82/77/598658277.db2.gz HEYALMMTEULAOF-INIZCTEOSA-N -1 3 325.803 3.928 20 0 EHADHM Cc1ccc2c(c1)CC[C@@H]2Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737376497 598658278 /nfs/dbraw/zinc/65/82/78/598658278.db2.gz HEYALMMTEULAOF-INIZCTEOSA-N -1 3 325.803 3.928 20 0 EHADHM O=c1[nH]c2ccccc2cc1CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000738372045 598713702 /nfs/dbraw/zinc/71/37/02/598713702.db2.gz MWIZGIMROUROMM-UHFFFAOYSA-N -1 3 349.419 3.554 20 0 EHADHM O=c1[nH]c2ccccc2cc1CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000738372045 598713703 /nfs/dbraw/zinc/71/37/03/598713703.db2.gz MWIZGIMROUROMM-UHFFFAOYSA-N -1 3 349.419 3.554 20 0 EHADHM Fc1ccc2c(c1)CC[C@@H]2Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000737666285 598794847 /nfs/dbraw/zinc/79/48/47/598794847.db2.gz KBYWCUAKXNFWDB-AWEZNQCLSA-N -1 3 329.766 3.759 20 0 EHADHM Fc1ccc2c(c1)CC[C@@H]2Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000737666285 598794848 /nfs/dbraw/zinc/79/48/48/598794848.db2.gz KBYWCUAKXNFWDB-AWEZNQCLSA-N -1 3 329.766 3.759 20 0 EHADHM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)c1ncccc1-c1nnn[n-]1 ZINC000736201310 598814914 /nfs/dbraw/zinc/81/49/14/598814914.db2.gz WXBDFHYCKHHCLD-VIFPVBQESA-N -1 3 349.225 3.766 20 0 EHADHM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)c1ncccc1-c1nn[n-]n1 ZINC000736201310 598814915 /nfs/dbraw/zinc/81/49/15/598814915.db2.gz WXBDFHYCKHHCLD-VIFPVBQESA-N -1 3 349.225 3.766 20 0 EHADHM CC(C)CC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735755318 598821056 /nfs/dbraw/zinc/82/10/56/598821056.db2.gz FOTCSEKFZKGVBP-UHFFFAOYSA-N -1 3 337.383 3.644 20 0 EHADHM CC(C)CC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735755318 598821058 /nfs/dbraw/zinc/82/10/58/598821058.db2.gz FOTCSEKFZKGVBP-UHFFFAOYSA-N -1 3 337.383 3.644 20 0 EHADHM Clc1cc(-c2nnn[n-]2)ccc1Oc1nc2ccccc2s1 ZINC000822563761 599316380 /nfs/dbraw/zinc/31/63/80/599316380.db2.gz NVGHBLZCOVWKMA-UHFFFAOYSA-N -1 3 329.772 3.922 20 0 EHADHM Clc1cc(-c2nn[n-]n2)ccc1Oc1nc2ccccc2s1 ZINC000822563761 599316382 /nfs/dbraw/zinc/31/63/82/599316382.db2.gz NVGHBLZCOVWKMA-UHFFFAOYSA-N -1 3 329.772 3.922 20 0 EHADHM CCc1nc(CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000736704544 599327029 /nfs/dbraw/zinc/32/70/29/599327029.db2.gz QSEDRDDKIAWARK-JTQLQIEISA-N -1 3 331.470 3.880 20 0 EHADHM CCc1nc(CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000736704544 599327032 /nfs/dbraw/zinc/32/70/32/599327032.db2.gz QSEDRDDKIAWARK-JTQLQIEISA-N -1 3 331.470 3.880 20 0 EHADHM CCOCCSCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000821384524 599351809 /nfs/dbraw/zinc/35/18/09/599351809.db2.gz YQXDWLJPZGEUIT-UHFFFAOYSA-N -1 3 340.452 3.803 20 0 EHADHM CCOCCSCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000821384524 599351812 /nfs/dbraw/zinc/35/18/12/599351812.db2.gz YQXDWLJPZGEUIT-UHFFFAOYSA-N -1 3 340.452 3.803 20 0 EHADHM Fc1cccc2c1CC[C@@H]2Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737662655 599416764 /nfs/dbraw/zinc/41/67/64/599416764.db2.gz COQGITMPUGMQJQ-AWEZNQCLSA-N -1 3 329.766 3.759 20 0 EHADHM Fc1cccc2c1CC[C@@H]2Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737662655 599416768 /nfs/dbraw/zinc/41/67/68/599416768.db2.gz COQGITMPUGMQJQ-AWEZNQCLSA-N -1 3 329.766 3.759 20 0 EHADHM CCOc1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)cc1F ZINC000736644199 599431468 /nfs/dbraw/zinc/43/14/68/599431468.db2.gz HHIKLOHNYCUVCD-UHFFFAOYSA-N -1 3 347.781 3.670 20 0 EHADHM CCOc1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cc1F ZINC000736644199 599431470 /nfs/dbraw/zinc/43/14/70/599431470.db2.gz HHIKLOHNYCUVCD-UHFFFAOYSA-N -1 3 347.781 3.670 20 0 EHADHM Fc1ccc2c(c1)[C@H](Nc1cc(-c3nnn[n-]3)c3ccccc3n1)CC2 ZINC000737664885 599432988 /nfs/dbraw/zinc/43/29/88/599432988.db2.gz GBMGTYFLPDZQGR-QGZVFWFLSA-N -1 3 346.369 3.653 20 0 EHADHM Fc1ccc2c(c1)[C@H](Nc1cc(-c3nn[n-]n3)c3ccccc3n1)CC2 ZINC000737664885 599432991 /nfs/dbraw/zinc/43/29/91/599432991.db2.gz GBMGTYFLPDZQGR-QGZVFWFLSA-N -1 3 346.369 3.653 20 0 EHADHM CCCCOc1cccc(CNc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000821077978 599479779 /nfs/dbraw/zinc/47/97/79/599479779.db2.gz ZHRPSXGZEXILGY-UHFFFAOYSA-N -1 3 341.390 3.797 20 0 EHADHM CCCCOc1cccc(CNc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821077978 599479783 /nfs/dbraw/zinc/47/97/83/599479783.db2.gz ZHRPSXGZEXILGY-UHFFFAOYSA-N -1 3 341.390 3.797 20 0 EHADHM CCc1c(C)sc(NC(=O)[C@@H](C)c2ccsc2)c1-c1nnn[n-]1 ZINC000736671256 599544025 /nfs/dbraw/zinc/54/40/25/599544025.db2.gz VMJIUGMCPRWTOK-QMMMGPOBSA-N -1 3 347.469 3.603 20 0 EHADHM CCc1c(C)sc(NC(=O)[C@@H](C)c2ccsc2)c1-c1nn[n-]n1 ZINC000736671256 599544027 /nfs/dbraw/zinc/54/40/27/599544027.db2.gz VMJIUGMCPRWTOK-QMMMGPOBSA-N -1 3 347.469 3.603 20 0 EHADHM CCc1c(C)sc(NC(=O)[C@H](C)c2cccs2)c1-c1nnn[n-]1 ZINC000736670321 599544414 /nfs/dbraw/zinc/54/44/14/599544414.db2.gz MOBUNVKTDCONDT-MRVPVSSYSA-N -1 3 347.469 3.603 20 0 EHADHM CCc1c(C)sc(NC(=O)[C@H](C)c2cccs2)c1-c1nn[n-]n1 ZINC000736670321 599544416 /nfs/dbraw/zinc/54/44/16/599544416.db2.gz MOBUNVKTDCONDT-MRVPVSSYSA-N -1 3 347.469 3.603 20 0 EHADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1c(C)cccc1C ZINC000737023732 599582369 /nfs/dbraw/zinc/58/23/69/599582369.db2.gz BQCYONPEGWYVOD-UHFFFAOYSA-N -1 3 344.802 3.725 20 0 EHADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCc1c(C)cccc1C ZINC000737023732 599582370 /nfs/dbraw/zinc/58/23/70/599582370.db2.gz BQCYONPEGWYVOD-UHFFFAOYSA-N -1 3 344.802 3.725 20 0 EHADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(C)(C)C ZINC000819866714 599632576 /nfs/dbraw/zinc/63/25/76/599632576.db2.gz OZIIGJIDMXQNEE-MRVPVSSYSA-N -1 3 341.337 3.506 20 0 EHADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(C)(C)C ZINC000819866714 599632577 /nfs/dbraw/zinc/63/25/77/599632577.db2.gz OZIIGJIDMXQNEE-MRVPVSSYSA-N -1 3 341.337 3.506 20 0 EHADHM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000572889221 599709218 /nfs/dbraw/zinc/70/92/18/599709218.db2.gz DYBVBBKZGAMODP-GOSISDBHSA-N -1 3 341.382 3.546 20 0 EHADHM COc1ccc([C@H]2CCCN2Cc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000737985389 599996512 /nfs/dbraw/zinc/99/65/12/599996512.db2.gz GUENONYHPHFRIM-GOSISDBHSA-N -1 3 341.407 3.739 20 0 EHADHM O=C([O-])c1ccoc1CN1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000740248973 600014903 /nfs/dbraw/zinc/01/49/03/600014903.db2.gz OZEBIVGTHVDLQP-QGZVFWFLSA-N -1 3 349.814 3.577 20 0 EHADHM O=C([O-])c1ccc2[nH]c3c(c2c1)CN(c1ccnc2ccccc21)CC3 ZINC000740190174 600180583 /nfs/dbraw/zinc/18/05/83/600180583.db2.gz LFYYAATYKYQRIW-UHFFFAOYSA-N -1 3 343.386 3.977 20 0 EHADHM C[C@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(OC(F)F)cc1 ZINC000736662646 600420548 /nfs/dbraw/zinc/42/05/48/600420548.db2.gz QSXAYJZHIOQXME-BONVTDFDSA-N -1 3 339.313 3.904 20 0 EHADHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(Cl)c1)c1ccc2c(c1)OCO2 ZINC000736660729 600420553 /nfs/dbraw/zinc/42/05/53/600420553.db2.gz ATYALUZDJGWGAH-QLJPJBMISA-N -1 3 333.771 3.545 20 0 EHADHM CO[C@@H](CN[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl)C(C)(C)C ZINC000831519417 600695189 /nfs/dbraw/zinc/69/51/89/600695189.db2.gz NXAHEWQNBBZRFD-QWHCGFSZSA-N -1 3 334.243 3.770 20 0 EHADHM Cc1ccc([C@H]2CCCCN2CCOc2cccc(C(=O)[O-])c2)o1 ZINC000738582450 600968880 /nfs/dbraw/zinc/96/88/80/600968880.db2.gz JLEQKYAHFZWSSP-QGZVFWFLSA-N -1 3 329.396 3.892 20 0 EHADHM COc1cc(CN2CCc3ccccc3[C@H]2C(=O)[O-])ccc1SC ZINC000582611388 601548559 /nfs/dbraw/zinc/54/85/59/601548559.db2.gz CBDGDMFODSIPBP-SFHVURJKSA-N -1 3 343.448 3.601 20 0 EHADHM COc1ccc([C@@H]2CCCN2Cc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000577074692 601613947 /nfs/dbraw/zinc/61/39/47/601613947.db2.gz JICYTVASUKODRB-SFHVURJKSA-N -1 3 329.371 3.870 20 0 EHADHM Cc1ccc(N2CCCN(Cc3ccc(C(=O)[O-])c(F)c3)CC2)cc1 ZINC000832941113 601621384 /nfs/dbraw/zinc/62/13/84/601621384.db2.gz ZLEAUIUBFNEGAL-UHFFFAOYSA-N -1 3 342.414 3.545 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)CC[C@@H](C)c1ccccc1 ZINC000826278314 607537954 /nfs/dbraw/zinc/53/79/54/607537954.db2.gz XIYDDRVURCAKTB-CYBMUJFWSA-N -1 3 335.411 3.698 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)CC[C@@H](C)c1ccccc1 ZINC000826278314 607537956 /nfs/dbraw/zinc/53/79/56/607537956.db2.gz XIYDDRVURCAKTB-CYBMUJFWSA-N -1 3 335.411 3.698 20 0 EHADHM CCOC[C@@H]1CCCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000567510288 602041042 /nfs/dbraw/zinc/04/10/42/602041042.db2.gz YQJWKJIBVZCHSA-IAQYHMDHSA-N -1 3 346.254 3.868 20 0 EHADHM CCc1nc2c(s1)[C@H](N(C)Cc1ccc(C(=O)[O-])cc1)CCC2 ZINC000263572117 602055756 /nfs/dbraw/zinc/05/57/56/602055756.db2.gz KLOBNHOILZIAMA-OAHLLOKOSA-N -1 3 330.453 3.913 20 0 EHADHM COc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1Cl ZINC000426746297 602178365 /nfs/dbraw/zinc/17/83/65/602178365.db2.gz XXEUEAVUKHKZNM-OAHLLOKOSA-N -1 3 340.206 3.918 20 0 EHADHM CC[C@](C)(CC(=O)[O-])NCc1csc(Nc2ccc(C)cc2)n1 ZINC000828672621 602218317 /nfs/dbraw/zinc/21/83/17/602218317.db2.gz UKBONVNSWHZCKY-QGZVFWFLSA-N -1 3 333.457 3.928 20 0 EHADHM C[C@H](NC(=O)[O-])C1CCN(Cc2ccc(Cl)c3cccnc23)CC1 ZINC000739013793 602446076 /nfs/dbraw/zinc/44/60/76/602446076.db2.gz FXOSZUIRIIDJJT-LBPRGKRZSA-N -1 3 347.846 3.756 20 0 EHADHM O=C([O-])N[C@@H](CNCc1cc2cc(F)ccc2o1)c1ccccc1 ZINC000832140077 603176468 /nfs/dbraw/zinc/17/64/68/603176468.db2.gz FXLSEYWUVKMUKG-INIZCTEOSA-N -1 3 328.343 3.670 20 0 EHADHM CC(C)Oc1cccc([C@H](C)NCc2ccc(NC(=O)[O-])nc2)c1 ZINC000824418676 603536849 /nfs/dbraw/zinc/53/68/49/603536849.db2.gz PFLCUBACUZZMHV-ZDUSSCGKSA-N -1 3 329.400 3.810 20 0 EHADHM O=C(CSc1ccc2ccccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826421205 607655731 /nfs/dbraw/zinc/65/57/31/607655731.db2.gz WSIOJQUSTKRELN-UHFFFAOYSA-N -1 3 346.415 3.995 20 0 EHADHM O=C(CSc1ccc2ccccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826421205 607655733 /nfs/dbraw/zinc/65/57/33/607655733.db2.gz WSIOJQUSTKRELN-UHFFFAOYSA-N -1 3 346.415 3.995 20 0 EHADHM Cc1cc([C@H](C)N2CCCN(Cc3ccccc3)CC2)oc1C(=O)[O-] ZINC000832870295 604382041 /nfs/dbraw/zinc/38/20/41/604382041.db2.gz GHOOSOQOBQPURA-INIZCTEOSA-N -1 3 342.439 3.555 20 0 EHADHM CC[C@@H](C)Oc1cc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)ccc1OC ZINC000833641411 604647388 /nfs/dbraw/zinc/64/73/88/604647388.db2.gz YBNBCHDMGOEPCJ-ZBFHGGJFSA-N -1 3 347.455 3.559 20 0 EHADHM O=C([O-])c1cc(CN2CCC[C@@H](COc3ccccc3Cl)C2)c[nH]1 ZINC000833779539 604681820 /nfs/dbraw/zinc/68/18/20/604681820.db2.gz MVEYNFMCUBHMPX-CYBMUJFWSA-N -1 3 348.830 3.657 20 0 EHADHM CC(C)COc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2cccnc2)cc1 ZINC000826900364 605006442 /nfs/dbraw/zinc/00/64/42/605006442.db2.gz BMJCOWOSLGYJRV-RDTXWAMCSA-N -1 3 328.412 3.593 20 0 EHADHM CCN(C[C@H]1CCCO1)[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000582246682 605043376 /nfs/dbraw/zinc/04/33/76/605043376.db2.gz MNTHFZBWEOSKRI-RISCZKNCSA-N -1 3 332.227 3.620 20 0 EHADHM CC[C@@H](NCc1cc(C(=O)[O-])cc(C(=O)OC)c1)c1ccc(C)cc1 ZINC000833644081 605062718 /nfs/dbraw/zinc/06/27/18/605062718.db2.gz KUQFJIDNAGADKW-GOSISDBHSA-N -1 3 341.407 3.721 20 0 EHADHM CCc1nc(C)c([C@H](C)N(C)Cc2ccccc2CC(=O)[O-])s1 ZINC000833672548 605070639 /nfs/dbraw/zinc/07/06/39/605070639.db2.gz BSOJLKBFNOLBBN-ZDUSSCGKSA-N -1 3 332.469 3.834 20 0 EHADHM COc1cccc2c1CC[C@H]2NCc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000829582317 605119973 /nfs/dbraw/zinc/11/99/73/605119973.db2.gz ZGGQJAYFBQJMMY-SCLBCKFNSA-N -1 3 340.423 3.801 20 0 EHADHM CC(C)Oc1cccc(CN(C)Cc2ccc(OCC(=O)[O-])cc2)c1 ZINC000566368588 605298160 /nfs/dbraw/zinc/29/81/60/605298160.db2.gz YNYFAPHNQOZSNL-UHFFFAOYSA-N -1 3 343.423 3.569 20 0 EHADHM CCCN(Cc1coc(-c2cccs2)n1)C1CCN(C(=O)[O-])CC1 ZINC000826916410 605474141 /nfs/dbraw/zinc/47/41/41/605474141.db2.gz KTVPEBYGXWBDLP-UHFFFAOYSA-N -1 3 349.456 3.758 20 0 EHADHM Cc1cccc([C@H]2CCCCN2c2ccc(-c3nnn[n-]3)cn2)c1C ZINC000822299418 606062101 /nfs/dbraw/zinc/06/21/01/606062101.db2.gz IHEZMDQPLGKQJY-QGZVFWFLSA-N -1 3 334.427 3.610 20 0 EHADHM Cc1cccc([C@H]2CCCCN2c2ccc(-c3nn[n-]n3)cn2)c1C ZINC000822299418 606062106 /nfs/dbraw/zinc/06/21/06/606062106.db2.gz IHEZMDQPLGKQJY-QGZVFWFLSA-N -1 3 334.427 3.610 20 0 EHADHM Fc1ccc(-c2nnn[n-]2)cc1CN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000822758775 606099439 /nfs/dbraw/zinc/09/94/39/606099439.db2.gz YJSDHSVQNXVUCR-MRXNPFEDSA-N -1 3 343.793 3.606 20 0 EHADHM Fc1ccc(-c2nn[n-]n2)cc1CN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000822758775 606099440 /nfs/dbraw/zinc/09/94/40/606099440.db2.gz YJSDHSVQNXVUCR-MRXNPFEDSA-N -1 3 343.793 3.606 20 0 EHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1Cc2ccccc2[C@@H]1C ZINC000822337347 606137661 /nfs/dbraw/zinc/13/76/61/606137661.db2.gz XJQWSTWIGSISQJ-ZDUSSCGKSA-N -1 3 342.406 3.805 20 0 EHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1Cc2ccccc2[C@@H]1C ZINC000822337347 606137662 /nfs/dbraw/zinc/13/76/62/606137662.db2.gz XJQWSTWIGSISQJ-ZDUSSCGKSA-N -1 3 342.406 3.805 20 0 EHADHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)[C@@H](C)c1ccccc1 ZINC000820461374 606141513 /nfs/dbraw/zinc/14/15/13/606141513.db2.gz IUQDJELMXPBUAC-MNOVXSKESA-N -1 3 328.807 3.519 20 0 EHADHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)[C@@H](C)c1ccccc1 ZINC000820461374 606141514 /nfs/dbraw/zinc/14/15/14/606141514.db2.gz IUQDJELMXPBUAC-MNOVXSKESA-N -1 3 328.807 3.519 20 0 EHADHM CC[C@@H](C)Oc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000820877040 606213345 /nfs/dbraw/zinc/21/33/45/606213345.db2.gz YPPRMPCGUNSWOW-LLVKDONJSA-N -1 3 329.429 3.718 20 0 EHADHM CC[C@@H](C)Oc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000820877040 606213346 /nfs/dbraw/zinc/21/33/46/606213346.db2.gz YPPRMPCGUNSWOW-LLVKDONJSA-N -1 3 329.429 3.718 20 0 EHADHM CC[C@H](C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000820842479 606341226 /nfs/dbraw/zinc/34/12/26/606341226.db2.gz NBRLJIFPKUAPHZ-GUYCJALGSA-N -1 3 336.395 3.665 20 0 EHADHM CC[C@H](C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820842479 606341229 /nfs/dbraw/zinc/34/12/29/606341229.db2.gz NBRLJIFPKUAPHZ-GUYCJALGSA-N -1 3 336.395 3.665 20 0 EHADHM CCC(CC)N(CC(C)C)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820898133 606347252 /nfs/dbraw/zinc/34/72/52/606347252.db2.gz UWPNHBLWYPNYRA-UHFFFAOYSA-N -1 3 348.426 3.684 20 0 EHADHM CCC(CC)N(CC(C)C)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820898133 606347255 /nfs/dbraw/zinc/34/72/55/606347255.db2.gz UWPNHBLWYPNYRA-UHFFFAOYSA-N -1 3 348.426 3.684 20 0 EHADHM CSc1ccsc1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821988771 606348033 /nfs/dbraw/zinc/34/80/33/606348033.db2.gz GTTRQKBDLAHQJQ-VIFPVBQESA-N -1 3 346.437 3.568 20 0 EHADHM CSc1ccsc1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821988771 606348034 /nfs/dbraw/zinc/34/80/34/606348034.db2.gz GTTRQKBDLAHQJQ-VIFPVBQESA-N -1 3 346.437 3.568 20 0 EHADHM CC(C)c1nc2ccc(Nc3ncccc3-c3nnn[n-]3)cc2s1 ZINC000820206248 606429975 /nfs/dbraw/zinc/42/99/75/606429975.db2.gz GQQBAXGWASDTLG-UHFFFAOYSA-N -1 3 337.412 3.738 20 0 EHADHM CC(C)c1nc2ccc(Nc3ncccc3-c3nn[n-]n3)cc2s1 ZINC000820206248 606429977 /nfs/dbraw/zinc/42/99/77/606429977.db2.gz GQQBAXGWASDTLG-UHFFFAOYSA-N -1 3 337.412 3.738 20 0 EHADHM CCN(C(=O)[C@@H](C)C1CCCC1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149120 606531158 /nfs/dbraw/zinc/53/11/58/606531158.db2.gz SEKRZZIMALJHMK-UONOGXRCSA-N -1 3 341.459 3.603 20 0 EHADHM CCN(C(=O)[C@@H](C)C1CCCC1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149120 606531159 /nfs/dbraw/zinc/53/11/59/606531159.db2.gz SEKRZZIMALJHMK-UONOGXRCSA-N -1 3 341.459 3.603 20 0 EHADHM CCC1(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000820945771 606556029 /nfs/dbraw/zinc/55/60/29/606556029.db2.gz VDZAIDAEKVSFEO-UHFFFAOYSA-N -1 3 349.394 3.788 20 0 EHADHM CCC1(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)CC1 ZINC000820945771 606556031 /nfs/dbraw/zinc/55/60/31/606556031.db2.gz VDZAIDAEKVSFEO-UHFFFAOYSA-N -1 3 349.394 3.788 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000822743636 606595374 /nfs/dbraw/zinc/59/53/74/606595374.db2.gz BDYVDAKSPFPVAX-MWLCHTKSSA-N -1 3 343.328 3.786 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000822743635 606595608 /nfs/dbraw/zinc/59/56/08/606595608.db2.gz BDYVDAKSPFPVAX-KOLCDFICSA-N -1 3 343.328 3.786 20 0 EHADHM Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)ccc1F ZINC000822209699 606597185 /nfs/dbraw/zinc/59/71/85/606597185.db2.gz SNUHKNKJQJYTQV-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)ccc1F ZINC000822209699 606597187 /nfs/dbraw/zinc/59/71/87/606597187.db2.gz SNUHKNKJQJYTQV-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM Cc1cccc(C)c1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822293669 606597238 /nfs/dbraw/zinc/59/72/38/606597238.db2.gz HCDZAXLTSVSWDY-UHFFFAOYSA-N -1 3 345.353 3.697 20 0 EHADHM Cc1cccc(C)c1NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822293669 606597239 /nfs/dbraw/zinc/59/72/39/606597239.db2.gz HCDZAXLTSVSWDY-UHFFFAOYSA-N -1 3 345.353 3.697 20 0 EHADHM CC(C)(C)[C@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(F)cc1 ZINC000819898429 606643387 /nfs/dbraw/zinc/64/33/87/606643387.db2.gz GGKDRVCYKIWYDQ-OAHLLOKOSA-N -1 3 326.379 3.600 20 0 EHADHM CC(C)(C)[C@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(F)cc1 ZINC000819898429 606643388 /nfs/dbraw/zinc/64/33/88/606643388.db2.gz GGKDRVCYKIWYDQ-OAHLLOKOSA-N -1 3 326.379 3.600 20 0 EHADHM CC(C)(C)c1csc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)n1 ZINC000819965991 606706505 /nfs/dbraw/zinc/70/65/05/606706505.db2.gz RJNPJTBQMSBDDQ-UHFFFAOYSA-N -1 3 348.863 3.886 20 0 EHADHM CC(C)(C)c1csc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)n1 ZINC000819965991 606706506 /nfs/dbraw/zinc/70/65/06/606706506.db2.gz RJNPJTBQMSBDDQ-UHFFFAOYSA-N -1 3 348.863 3.886 20 0 EHADHM Cc1cnc(CNc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)o1 ZINC000822394468 606865702 /nfs/dbraw/zinc/86/57/02/606865702.db2.gz AITUKEGYBYXCGB-UHFFFAOYSA-N -1 3 348.366 3.568 20 0 EHADHM CC=C(C=CC(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)CC ZINC000820826496 607000807 /nfs/dbraw/zinc/00/08/07/607000807.db2.gz NBWIDBBGYOKTKS-NOLKGEKFSA-N -1 3 339.443 3.689 20 0 EHADHM CC=C(C=CC(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)CC ZINC000820826496 607000808 /nfs/dbraw/zinc/00/08/08/607000808.db2.gz NBWIDBBGYOKTKS-NOLKGEKFSA-N -1 3 339.443 3.689 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1OCc1nc(C(C)(C)C)cs1 ZINC000822221301 607027706 /nfs/dbraw/zinc/02/77/06/607027706.db2.gz JNYONVQQVLTUBM-UHFFFAOYSA-N -1 3 329.429 3.508 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1OCc1nc(C(C)(C)C)cs1 ZINC000822221301 607027707 /nfs/dbraw/zinc/02/77/07/607027707.db2.gz JNYONVQQVLTUBM-UHFFFAOYSA-N -1 3 329.429 3.508 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1cnc(-c2ccccc2)s1 ZINC000822221515 607125563 /nfs/dbraw/zinc/12/55/63/607125563.db2.gz RVFHIXMNWCADRW-UHFFFAOYSA-N -1 3 348.435 3.911 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1cnc(-c2ccccc2)s1 ZINC000822221515 607125564 /nfs/dbraw/zinc/12/55/64/607125564.db2.gz RVFHIXMNWCADRW-UHFFFAOYSA-N -1 3 348.435 3.911 20 0 EHADHM C[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820699151 607189741 /nfs/dbraw/zinc/18/97/41/607189741.db2.gz XVTBQKKEVHVOIW-GHMZBOCLSA-N -1 3 333.823 3.675 20 0 EHADHM C[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820699151 607189742 /nfs/dbraw/zinc/18/97/42/607189742.db2.gz XVTBQKKEVHVOIW-GHMZBOCLSA-N -1 3 333.823 3.675 20 0 EHADHM CCc1cccc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000821492152 607196733 /nfs/dbraw/zinc/19/67/33/607196733.db2.gz IIFGTMSLCGKQIN-UHFFFAOYSA-N -1 3 342.790 3.727 20 0 EHADHM CCc1cccc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000821492152 607196734 /nfs/dbraw/zinc/19/67/34/607196734.db2.gz IIFGTMSLCGKQIN-UHFFFAOYSA-N -1 3 342.790 3.727 20 0 EHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000826247128 607775281 /nfs/dbraw/zinc/77/52/81/607775281.db2.gz URGMYEPOVPYHHV-KPZWWZAWSA-N -1 3 347.422 3.544 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000826247128 607775282 /nfs/dbraw/zinc/77/52/82/607775282.db2.gz URGMYEPOVPYHHV-KPZWWZAWSA-N -1 3 347.422 3.544 20 0 EHADHM FC(F)(F)CCCCSCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826367792 607785136 /nfs/dbraw/zinc/78/51/36/607785136.db2.gz OHIIOADMEDMXCH-UHFFFAOYSA-N -1 3 346.378 3.711 20 0 EHADHM CCN(C(=O)c1csc2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000825390622 607798752 /nfs/dbraw/zinc/79/87/52/607798752.db2.gz IBTQFJYMEKMORO-UHFFFAOYSA-N -1 3 349.419 3.748 20 0 EHADHM CCN(C(=O)c1csc2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000825390622 607798753 /nfs/dbraw/zinc/79/87/53/607798753.db2.gz IBTQFJYMEKMORO-UHFFFAOYSA-N -1 3 349.419 3.748 20 0 EHADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CCCSC(C)(C)C ZINC000826253212 607830728 /nfs/dbraw/zinc/83/07/28/607830728.db2.gz IGOWCPQAHQGWOD-UHFFFAOYSA-N -1 3 348.472 3.530 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CCCSC(C)(C)C ZINC000826253212 607830729 /nfs/dbraw/zinc/83/07/29/607830729.db2.gz IGOWCPQAHQGWOD-UHFFFAOYSA-N -1 3 348.472 3.530 20 0 EHADHM Cc1ccccc1[C@H](O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826306154 607843155 /nfs/dbraw/zinc/84/31/55/607843155.db2.gz RKPFMHLFTKVATC-CQSZACIVSA-N -1 3 346.843 3.654 20 0 EHADHM Cc1ccccc1[C@H](O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826306154 607843156 /nfs/dbraw/zinc/84/31/56/607843156.db2.gz RKPFMHLFTKVATC-CQSZACIVSA-N -1 3 346.843 3.654 20 0 EHADHM CN(C(=O)C[C@H]1CCCC(C)(C)C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000825812260 607926473 /nfs/dbraw/zinc/92/64/73/607926473.db2.gz JLWAQKWSDGPTGI-GFCCVEGCSA-N -1 3 345.422 3.575 20 0 EHADHM CN(C(=O)C[C@H]1CCCC(C)(C)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000825812260 607926474 /nfs/dbraw/zinc/92/64/74/607926474.db2.gz JLWAQKWSDGPTGI-GFCCVEGCSA-N -1 3 345.422 3.575 20 0 EHADHM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C1CCCC1 ZINC000824065329 607962992 /nfs/dbraw/zinc/96/29/92/607962992.db2.gz XHIDJNGXJLDDTB-UHFFFAOYSA-N -1 3 333.823 3.675 20 0 EHADHM CC(C)(C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C1CCCC1 ZINC000824065329 607962993 /nfs/dbraw/zinc/96/29/93/607962993.db2.gz XHIDJNGXJLDDTB-UHFFFAOYSA-N -1 3 333.823 3.675 20 0 EHADHM CC(=Cc1cccc(Cl)c1)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000823944198 607999814 /nfs/dbraw/zinc/99/98/14/607999814.db2.gz ZUQDQESTGJVVRS-CLFYSBASSA-N -1 3 345.815 3.624 20 0 EHADHM CC(=Cc1cccc(Cl)c1)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000823944198 607999815 /nfs/dbraw/zinc/99/98/15/607999815.db2.gz ZUQDQESTGJVVRS-CLFYSBASSA-N -1 3 345.815 3.624 20 0 EHADHM Cc1cc2c(ncnc2Oc2cc(Cl)ccc2-c2nnn[n-]2)s1 ZINC000826273269 608051354 /nfs/dbraw/zinc/05/13/54/608051354.db2.gz WMZLHYSJTJMTFU-UHFFFAOYSA-N -1 3 344.787 3.626 20 0 EHADHM Cc1cc2c(ncnc2Oc2cc(Cl)ccc2-c2nn[n-]n2)s1 ZINC000826273269 608051355 /nfs/dbraw/zinc/05/13/55/608051355.db2.gz WMZLHYSJTJMTFU-UHFFFAOYSA-N -1 3 344.787 3.626 20 0 EHADHM CCC(CC)[C@@H](C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000825096967 608059766 /nfs/dbraw/zinc/05/97/66/608059766.db2.gz RMLLKGQAWYNXGC-CQSZACIVSA-N -1 3 343.475 3.676 20 0 EHADHM CCC(CC)[C@@H](C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000825096967 608059767 /nfs/dbraw/zinc/05/97/67/608059767.db2.gz RMLLKGQAWYNXGC-CQSZACIVSA-N -1 3 343.475 3.676 20 0 EHADHM CCC[C@@H](C(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000825225038 608116378 /nfs/dbraw/zinc/11/63/78/608116378.db2.gz KDQBYSCMNHGRSZ-QGZVFWFLSA-N -1 3 343.475 3.678 20 0 EHADHM CCC[C@@H](C(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000825225038 608116379 /nfs/dbraw/zinc/11/63/79/608116379.db2.gz KDQBYSCMNHGRSZ-QGZVFWFLSA-N -1 3 343.475 3.678 20 0 EHADHM CC(C)(C)[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000824080108 608149869 /nfs/dbraw/zinc/14/98/69/608149869.db2.gz URUVFZATKNIRIK-BXUZGUMPSA-N -1 3 335.839 3.526 20 0 EHADHM CC(C)(C)[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000824080108 608149871 /nfs/dbraw/zinc/14/98/71/608149871.db2.gz URUVFZATKNIRIK-BXUZGUMPSA-N -1 3 335.839 3.526 20 0 EHADHM CC[C@@H](C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825038433 608182187 /nfs/dbraw/zinc/18/21/87/608182187.db2.gz BJVYTVGIGKUYRN-SUMWQHHRSA-N -1 3 336.395 3.665 20 0 EHADHM CC[C@@H](C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825038433 608182188 /nfs/dbraw/zinc/18/21/88/608182188.db2.gz BJVYTVGIGKUYRN-SUMWQHHRSA-N -1 3 336.395 3.665 20 0 EHADHM Fc1ccc2c(c1)CC[C@H]2Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826376182 608223510 /nfs/dbraw/zinc/22/35/10/608223510.db2.gz RWJVITCQHNYOQI-QGZVFWFLSA-N -1 3 346.369 3.653 20 0 EHADHM Fc1ccc2c(c1)CC[C@H]2Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826376182 608223511 /nfs/dbraw/zinc/22/35/11/608223511.db2.gz RWJVITCQHNYOQI-QGZVFWFLSA-N -1 3 346.369 3.653 20 0 EHADHM CS[C@@H]1CCC[C@@H](Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)C1 ZINC000826227281 608228816 /nfs/dbraw/zinc/22/88/16/608228816.db2.gz ORCABZATMOJYIY-ZIAGYGMSSA-N -1 3 340.456 3.501 20 0 EHADHM CS[C@@H]1CCC[C@@H](Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)C1 ZINC000826227281 608228817 /nfs/dbraw/zinc/22/88/17/608228817.db2.gz ORCABZATMOJYIY-ZIAGYGMSSA-N -1 3 340.456 3.501 20 0 EHADHM O=C(Nc1ccc(C2CC2)cc1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000826453252 608266950 /nfs/dbraw/zinc/26/69/50/608266950.db2.gz CQQVXAIQFSBWGD-UHFFFAOYSA-N -1 3 338.346 3.527 20 0 EHADHM O=C(Nc1ccc(C2CC2)cc1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000826453252 608266952 /nfs/dbraw/zinc/26/69/52/608266952.db2.gz CQQVXAIQFSBWGD-UHFFFAOYSA-N -1 3 338.346 3.527 20 0 EHADHM COc1cc(-c2nnn[n-]2)ccc1CSCCCCC(F)(F)F ZINC000826173785 608323312 /nfs/dbraw/zinc/32/33/12/608323312.db2.gz USTHYUFKDOBNMW-UHFFFAOYSA-N -1 3 346.378 3.841 20 0 EHADHM COc1cc(-c2nn[n-]n2)ccc1CSCCCCC(F)(F)F ZINC000826173785 608323314 /nfs/dbraw/zinc/32/33/14/608323314.db2.gz USTHYUFKDOBNMW-UHFFFAOYSA-N -1 3 346.378 3.841 20 0 EHADHM CCC[C@H](C)CC(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825234313 608344246 /nfs/dbraw/zinc/34/42/46/608344246.db2.gz YMYFPGLJVFUCDS-NSHDSACASA-N -1 3 335.839 3.699 20 0 EHADHM CCC[C@H](C)CC(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825234313 608344248 /nfs/dbraw/zinc/34/42/48/608344248.db2.gz YMYFPGLJVFUCDS-NSHDSACASA-N -1 3 335.839 3.699 20 0 EHADHM c1ccc2c(c1)nc(N1CCC[C@H]1C1CCCC1)cc2-c1nnn[n-]1 ZINC000826522591 608372189 /nfs/dbraw/zinc/37/21/89/608372189.db2.gz HKXRJPCNNYQLHN-KRWDZBQOSA-N -1 3 334.427 3.574 20 0 EHADHM c1ccc2c(c1)nc(N1CCC[C@H]1C1CCCC1)cc2-c1nn[n-]n1 ZINC000826522591 608372191 /nfs/dbraw/zinc/37/21/91/608372191.db2.gz HKXRJPCNNYQLHN-KRWDZBQOSA-N -1 3 334.427 3.574 20 0 EHADHM c1cc2nc(N3CCC[C@H]3C3CCCC3)ccc2cc1-c1nnn[n-]1 ZINC000826518405 608372269 /nfs/dbraw/zinc/37/22/69/608372269.db2.gz MNODZLBBFXTPKI-KRWDZBQOSA-N -1 3 334.427 3.574 20 0 EHADHM c1cc2nc(N3CCC[C@H]3C3CCCC3)ccc2cc1-c1nn[n-]n1 ZINC000826518405 608372271 /nfs/dbraw/zinc/37/22/71/608372271.db2.gz MNODZLBBFXTPKI-KRWDZBQOSA-N -1 3 334.427 3.574 20 0 EHADHM Fc1c(CN(Cc2ccco2)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000826370408 608404704 /nfs/dbraw/zinc/40/47/04/608404704.db2.gz RMKBPRCAYOFMBT-UHFFFAOYSA-N -1 3 349.369 3.806 20 0 EHADHM Fc1c(CN(Cc2ccco2)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000826370408 608404705 /nfs/dbraw/zinc/40/47/05/608404705.db2.gz RMKBPRCAYOFMBT-UHFFFAOYSA-N -1 3 349.369 3.806 20 0 EHADHM C[C@@H](NCc1cccc(-c2nnn[n-]2)c1F)c1ccc(F)cc1Cl ZINC000824618915 608535547 /nfs/dbraw/zinc/53/55/47/608535547.db2.gz SAKNNTCUWRAZCN-SECBINFHSA-N -1 3 349.772 3.649 20 0 EHADHM C[C@@H](NCc1cccc(-c2nn[n-]n2)c1F)c1ccc(F)cc1Cl ZINC000824618915 608535548 /nfs/dbraw/zinc/53/55/48/608535548.db2.gz SAKNNTCUWRAZCN-SECBINFHSA-N -1 3 349.772 3.649 20 0 EHADHM CN(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C1CCCCCCC1 ZINC000825829622 608574945 /nfs/dbraw/zinc/57/49/45/608574945.db2.gz HNMITYXFBRUPKQ-UHFFFAOYSA-N -1 3 347.850 3.705 20 0 EHADHM CN(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C1CCCCCCC1 ZINC000825829622 608574947 /nfs/dbraw/zinc/57/49/47/608574947.db2.gz HNMITYXFBRUPKQ-UHFFFAOYSA-N -1 3 347.850 3.705 20 0 EHADHM Fc1ccc([C@@H]2CCCN2Cc2cc(-c3nnn[n-]3)cs2)cc1F ZINC000826374349 608701840 /nfs/dbraw/zinc/70/18/40/608701840.db2.gz WETWZIGYTOIIQK-HNNXBMFYSA-N -1 3 347.394 3.544 20 0 EHADHM Fc1ccc([C@@H]2CCCN2Cc2cc(-c3nn[n-]n3)cs2)cc1F ZINC000826374349 608701844 /nfs/dbraw/zinc/70/18/44/608701844.db2.gz WETWZIGYTOIIQK-HNNXBMFYSA-N -1 3 347.394 3.544 20 0 EHADHM Fc1ccc(CNc2ccc(-c3nn[n-]n3)cc2)cc1C(F)(F)F ZINC000826374869 608866928 /nfs/dbraw/zinc/86/69/28/608866928.db2.gz PIAYIRVESQZSGN-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Cc1cc(NCc2ccc(-c3nnn[n-]3)s2)ccc1C(F)(F)F ZINC000826271344 608872290 /nfs/dbraw/zinc/87/22/90/608872290.db2.gz NTAZVAMYPLXUPN-UHFFFAOYSA-N -1 3 339.346 3.868 20 0 EHADHM C[C@H](Nc1cccc(OC(F)F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824662411 609164504 /nfs/dbraw/zinc/16/45/04/609164504.db2.gz JMDVXKPRLQGRGK-VIFPVBQESA-N -1 3 349.316 3.780 20 0 EHADHM C[C@H](Nc1cccc(OC(F)F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824662411 609164505 /nfs/dbraw/zinc/16/45/05/609164505.db2.gz JMDVXKPRLQGRGK-VIFPVBQESA-N -1 3 349.316 3.780 20 0 EHADHM CC(C)C[C@@H]1C[C@H](Nc2c(Cl)cccc2-c2nnn[n-]2)CCO1 ZINC000824243041 609170688 /nfs/dbraw/zinc/17/06/88/609170688.db2.gz CVZWDSOXGVVXRU-VXGBXAGGSA-N -1 3 335.839 3.526 20 0 EHADHM CC(C)C[C@@H]1C[C@H](Nc2c(Cl)cccc2-c2nn[n-]n2)CCO1 ZINC000824243041 609170689 /nfs/dbraw/zinc/17/06/89/609170689.db2.gz CVZWDSOXGVVXRU-VXGBXAGGSA-N -1 3 335.839 3.526 20 0 EHADHM CC(C)Oc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000824329452 609253989 /nfs/dbraw/zinc/25/39/89/609253989.db2.gz QKOFAPKUTZXQAV-LBPRGKRZSA-N -1 3 341.390 3.966 20 0 EHADHM CC(C)Oc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000824329452 609253990 /nfs/dbraw/zinc/25/39/90/609253990.db2.gz QKOFAPKUTZXQAV-LBPRGKRZSA-N -1 3 341.390 3.966 20 0 EHADHM C[C@@H](Nc1ccccc1OC(F)F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824662277 609271505 /nfs/dbraw/zinc/27/15/05/609271505.db2.gz HJGIKUYLDKYYNR-SECBINFHSA-N -1 3 349.316 3.780 20 0 EHADHM C[C@@H](Nc1ccccc1OC(F)F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824662277 609271506 /nfs/dbraw/zinc/27/15/06/609271506.db2.gz HJGIKUYLDKYYNR-SECBINFHSA-N -1 3 349.316 3.780 20 0 EHADHM CC(C)Oc1ccc(F)cc1N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000824324147 609277512 /nfs/dbraw/zinc/27/75/12/609277512.db2.gz IIAFLKSUUHSKOJ-GFCCVEGCSA-N -1 3 341.390 3.966 20 0 EHADHM CC(C)Oc1ccc(F)cc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000824324147 609277514 /nfs/dbraw/zinc/27/75/14/609277514.db2.gz IIAFLKSUUHSKOJ-GFCCVEGCSA-N -1 3 341.390 3.966 20 0 EHADHM COc1ccc(Cl)c(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826208640 609282027 /nfs/dbraw/zinc/28/20/27/609282027.db2.gz TYEVDNGYUXIZQL-SNVBAGLBSA-N -1 3 329.791 3.702 20 0 EHADHM COc1ccc(Cl)c(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826208640 609282029 /nfs/dbraw/zinc/28/20/29/609282029.db2.gz TYEVDNGYUXIZQL-SNVBAGLBSA-N -1 3 329.791 3.702 20 0 EHADHM C[C@@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1F ZINC000824531041 609341918 /nfs/dbraw/zinc/34/19/18/609341918.db2.gz OEHNOHLSMZBEGS-VHSXEESVSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1F ZINC000824531041 609341919 /nfs/dbraw/zinc/34/19/19/609341919.db2.gz OEHNOHLSMZBEGS-VHSXEESVSA-N -1 3 347.344 3.696 20 0 EHADHM CCOc1ccccc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825654313 609347896 /nfs/dbraw/zinc/34/78/96/609347896.db2.gz WRGSHXVPKQNQQL-NSHDSACASA-N -1 3 327.363 3.578 20 0 EHADHM CCOc1ccccc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825654313 609347898 /nfs/dbraw/zinc/34/78/98/609347898.db2.gz WRGSHXVPKQNQQL-NSHDSACASA-N -1 3 327.363 3.578 20 0 EHADHM CCc1c(C)sc(NC(=O)[C@@H]2CCC(C)(C)C2)c1-c1nnn[n-]1 ZINC000825687937 609383206 /nfs/dbraw/zinc/38/32/06/609383206.db2.gz OLNOPUMUFUKYMS-SNVBAGLBSA-N -1 3 333.461 3.564 20 0 EHADHM CCc1c(C)sc(NC(=O)[C@@H]2CCC(C)(C)C2)c1-c1nn[n-]n1 ZINC000825687937 609383208 /nfs/dbraw/zinc/38/32/08/609383208.db2.gz OLNOPUMUFUKYMS-SNVBAGLBSA-N -1 3 333.461 3.564 20 0 EHADHM C[C@H](Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(F)(F)F ZINC000824757426 609450605 /nfs/dbraw/zinc/45/06/05/609450605.db2.gz WJVAFJBJAVKGCO-YFKPBYRVSA-N -1 3 342.268 3.928 20 0 EHADHM C[C@H](Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(F)(F)F ZINC000824757426 609450603 /nfs/dbraw/zinc/45/06/03/609450603.db2.gz WJVAFJBJAVKGCO-YFKPBYRVSA-N -1 3 342.268 3.928 20 0 EHADHM Fc1c(CNc2ccc(Cl)cc2Cl)cccc1-c1nnn[n-]1 ZINC000826370665 609472512 /nfs/dbraw/zinc/47/25/12/609472512.db2.gz CSOJIUPNMDNLJG-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM Fc1c(CNc2ccc(Cl)cc2Cl)cccc1-c1nn[n-]n1 ZINC000826370665 609472513 /nfs/dbraw/zinc/47/25/13/609472513.db2.gz CSOJIUPNMDNLJG-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM CCCCOc1cccc(NCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000825296365 609476004 /nfs/dbraw/zinc/47/60/04/609476004.db2.gz GEJFJGGDGXEJSS-UHFFFAOYSA-N -1 3 341.390 3.797 20 0 EHADHM CCCCOc1cccc(NCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000825296365 609476005 /nfs/dbraw/zinc/47/60/05/609476005.db2.gz GEJFJGGDGXEJSS-UHFFFAOYSA-N -1 3 341.390 3.797 20 0 EHADHM CC[C@@H](C)[C@@H](C)C(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825049317 609522542 /nfs/dbraw/zinc/52/25/42/609522542.db2.gz AKTURMMHQVNCIM-ZIAGYGMSSA-N -1 3 329.448 3.538 20 0 EHADHM CC[C@@H](C)[C@@H](C)C(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825049317 609522545 /nfs/dbraw/zinc/52/25/45/609522545.db2.gz AKTURMMHQVNCIM-ZIAGYGMSSA-N -1 3 329.448 3.538 20 0 EHADHM CC/C(C)=C(/C)C(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825052788 609523005 /nfs/dbraw/zinc/52/30/05/609523005.db2.gz YUDOGGUFEDKJNV-DINCDJDBSA-N -1 3 327.432 3.523 20 0 EHADHM CC/C(C)=C(/C)C(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825052788 609523007 /nfs/dbraw/zinc/52/30/07/609523007.db2.gz YUDOGGUFEDKJNV-DINCDJDBSA-N -1 3 327.432 3.523 20 0 EHADHM Cc1c(Cl)cnc(NCc2ccc([C@H]3C[C@@H]3C)o2)c1-c1nnn[n-]1 ZINC000826240480 609537241 /nfs/dbraw/zinc/53/72/41/609537241.db2.gz VKBHHWUNPBSYQH-KWQFWETISA-N -1 3 344.806 3.552 20 0 EHADHM Cc1c(Cl)cnc(NCc2ccc([C@H]3C[C@@H]3C)o2)c1-c1nn[n-]n1 ZINC000826240480 609537244 /nfs/dbraw/zinc/53/72/44/609537244.db2.gz VKBHHWUNPBSYQH-KWQFWETISA-N -1 3 344.806 3.552 20 0 EHADHM Cc1ccnc(N2CCC[C@@H]2c2ccccc2Cl)c1-c1nnn[n-]1 ZINC000826310948 609538143 /nfs/dbraw/zinc/53/81/43/609538143.db2.gz OFOUFMXGXACGJK-CQSZACIVSA-N -1 3 340.818 3.565 20 0 EHADHM Cc1ccnc(N2CCC[C@@H]2c2ccccc2Cl)c1-c1nn[n-]n1 ZINC000826310948 609538146 /nfs/dbraw/zinc/53/81/46/609538146.db2.gz OFOUFMXGXACGJK-CQSZACIVSA-N -1 3 340.818 3.565 20 0 EHADHM Cc1ccc([C@@H]2CCCCN2c2nccc(C)c2-c2nnn[n-]2)cc1 ZINC000826286168 609570796 /nfs/dbraw/zinc/57/07/96/609570796.db2.gz UJCNHIGRGFHYGF-INIZCTEOSA-N -1 3 334.427 3.610 20 0 EHADHM Cc1ccc([C@@H]2CCCCN2c2nccc(C)c2-c2nn[n-]n2)cc1 ZINC000826286168 609570799 /nfs/dbraw/zinc/57/07/99/609570799.db2.gz UJCNHIGRGFHYGF-INIZCTEOSA-N -1 3 334.427 3.610 20 0 EHADHM Fc1cccc(NCc2ccc(C(F)(F)F)cc2)c1-c1nnn[n-]1 ZINC000826377349 609607359 /nfs/dbraw/zinc/60/73/59/609607359.db2.gz NWMDVIIKDJOLKQ-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Fc1cccc(NCc2ccc(C(F)(F)F)cc2)c1-c1nn[n-]n1 ZINC000826377349 609607362 /nfs/dbraw/zinc/60/73/62/609607362.db2.gz NWMDVIIKDJOLKQ-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM C[C@@H]1CCC[C@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)C1 ZINC000736244764 944775281 /nfs/dbraw/zinc/77/52/81/944775281.db2.gz MZZIXQJMLVCCPT-MNOVXSKESA-N -1 3 345.472 3.572 20 0 EHADHM C[C@@H]1CCC[C@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C1 ZINC000736244764 944775288 /nfs/dbraw/zinc/77/52/88/944775288.db2.gz MZZIXQJMLVCCPT-MNOVXSKESA-N -1 3 345.472 3.572 20 0 EHADHM CCC(=CC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000736304908 944795339 /nfs/dbraw/zinc/79/53/39/944795339.db2.gz RXWZIHPXCUKOLA-ZRDIBKRKSA-N -1 3 339.424 3.669 20 0 EHADHM CCC(=CC(=O)Nc1sccc1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000736304908 944795343 /nfs/dbraw/zinc/79/53/43/944795343.db2.gz RXWZIHPXCUKOLA-ZRDIBKRKSA-N -1 3 339.424 3.669 20 0 EHADHM FC(F)(F)CCc1cccc(Nc2ncccc2-c2nnn[n-]2)c1 ZINC000822718715 946163573 /nfs/dbraw/zinc/16/35/73/946163573.db2.gz POVDGASAEJOSHN-UHFFFAOYSA-N -1 3 334.305 3.500 20 0 EHADHM FC(F)(F)CCc1cccc(Nc2ncccc2-c2nn[n-]n2)c1 ZINC000822718715 946163580 /nfs/dbraw/zinc/16/35/80/946163580.db2.gz POVDGASAEJOSHN-UHFFFAOYSA-N -1 3 334.305 3.500 20 0 EHADHM CC(C)c1nc([C@@H](C)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824358848 946669645 /nfs/dbraw/zinc/66/96/45/946669645.db2.gz QOUUAHCZTMAVFW-NWDGAFQWSA-N -1 3 342.472 3.858 20 0 EHADHM O=C([O-])c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1F ZINC000326150823 971271561 /nfs/dbraw/zinc/27/15/61/971271561.db2.gz MBXKQTQPTQCBFC-UHFFFAOYSA-N -1 3 327.399 3.979 20 0 EHADHM CCCCC[C@@H](CC)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825268585 947138319 /nfs/dbraw/zinc/13/83/19/947138319.db2.gz VMQXIIPAKHDYQY-UONOGXRCSA-N -1 3 329.448 3.650 20 0 EHADHM CCCCC[C@@H](CC)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825268585 947138323 /nfs/dbraw/zinc/13/83/23/947138323.db2.gz VMQXIIPAKHDYQY-UONOGXRCSA-N -1 3 329.448 3.650 20 0 EHADHM Cc1ccnc(N[C@@H](C)c2ccc(OC(C)C)cc2)c1-c1nnn[n-]1 ZINC000826311943 947905189 /nfs/dbraw/zinc/90/51/89/947905189.db2.gz REMJRLKDGHCNTR-ZDUSSCGKSA-N -1 3 338.415 3.530 20 0 EHADHM Cc1ccnc(N[C@@H](C)c2ccc(OC(C)C)cc2)c1-c1nn[n-]n1 ZINC000826311943 947905195 /nfs/dbraw/zinc/90/51/95/947905195.db2.gz REMJRLKDGHCNTR-ZDUSSCGKSA-N -1 3 338.415 3.530 20 0 EHADHM c1cc(CNc2ccc3c(c2)OC2(CCCC2)O3)cc(-c2nnn[n-]2)c1 ZINC000826516673 948443574 /nfs/dbraw/zinc/44/35/74/948443574.db2.gz VOGOFBVKVWMHJU-UHFFFAOYSA-N -1 3 349.394 3.520 20 0 EHADHM c1cc(CNc2ccc3c(c2)OC2(CCCC2)O3)cc(-c2nn[n-]n2)c1 ZINC000826516673 948443577 /nfs/dbraw/zinc/44/35/77/948443577.db2.gz VOGOFBVKVWMHJU-UHFFFAOYSA-N -1 3 349.394 3.520 20 0 EHADHM CC(C)c1ccc2ncnc(Oc3ccccc3-c3nnn[n-]3)c2c1 ZINC001574418215 948777131 /nfs/dbraw/zinc/77/71/31/948777131.db2.gz VPGWHWISPUPTEQ-UHFFFAOYSA-N -1 3 332.367 3.726 20 0 EHADHM CC(C)c1ccc2ncnc(Oc3ccccc3-c3nn[n-]n3)c2c1 ZINC001574418215 948777143 /nfs/dbraw/zinc/77/71/43/948777143.db2.gz VPGWHWISPUPTEQ-UHFFFAOYSA-N -1 3 332.367 3.726 20 0 EHADHM C[C@H]1CCC[C@@]1(C)C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001576155647 949415483 /nfs/dbraw/zinc/41/54/83/949415483.db2.gz VRUYANHHTXLSPN-BBATYDOGSA-N -1 3 325.416 3.509 20 0 EHADHM C[C@H]1CCC[C@@]1(C)C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001576155647 949415495 /nfs/dbraw/zinc/41/54/95/949415495.db2.gz VRUYANHHTXLSPN-BBATYDOGSA-N -1 3 325.416 3.509 20 0 EHADHM C[C@H](c1ccccc1Br)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000226420300 949583503 /nfs/dbraw/zinc/58/35/03/949583503.db2.gz SNJSIAPCMKXUQS-NEPJUHHUSA-N -1 3 326.234 3.697 20 0 EHADHM O=C([O-])c1ccccc1CNCc1cccc(OCc2ccccn2)c1 ZINC001595255013 949584968 /nfs/dbraw/zinc/58/49/68/949584968.db2.gz CKHFMGWNCFADEP-UHFFFAOYSA-N -1 3 348.402 3.649 20 0 EHADHM CC(C)(C)CCCOc1ccc(Br)cc1-c1nnn[n-]1 ZINC001573844297 950187551 /nfs/dbraw/zinc/18/75/51/950187551.db2.gz FCQPVXUCUMQMKR-UHFFFAOYSA-N -1 3 339.237 3.834 20 0 EHADHM CC(C)(C)CCCOc1ccc(Br)cc1-c1nn[n-]n1 ZINC001573844297 950187566 /nfs/dbraw/zinc/18/75/66/950187566.db2.gz FCQPVXUCUMQMKR-UHFFFAOYSA-N -1 3 339.237 3.834 20 0 EHADHM CCN(CCC1(C(=O)[O-])CCC1)Cc1nc2c(s1)C[C@H](C)CC2 ZINC001589730692 950503467 /nfs/dbraw/zinc/50/34/67/950503467.db2.gz QEQGLKYCLHHOCA-CYBMUJFWSA-N -1 3 336.501 3.735 20 0 EHADHM CC(C)(C)c1ccc(NC(=O)c2cscc2-c2nnn[n-]2)cc1F ZINC001573881240 950750554 /nfs/dbraw/zinc/75/05/54/950750554.db2.gz AWVOJVOOHWJYJI-UHFFFAOYSA-N -1 3 345.403 3.617 20 0 EHADHM CC(C)(C)c1ccc(NC(=O)c2cscc2-c2nn[n-]n2)cc1F ZINC001573881240 950750562 /nfs/dbraw/zinc/75/05/62/950750562.db2.gz AWVOJVOOHWJYJI-UHFFFAOYSA-N -1 3 345.403 3.617 20 0 EHADHM C[C@@H](Cc1ccc(F)cc1Cl)Nc1cccc(-c2nnn[n-]2)c1 ZINC001575189043 952454022 /nfs/dbraw/zinc/45/40/22/952454022.db2.gz MWIQFWCUFZQZIG-JTQLQIEISA-N -1 3 331.782 3.702 20 0 EHADHM C[C@@H](Cc1ccc(F)cc1Cl)Nc1cccc(-c2nn[n-]n2)c1 ZINC001575189043 952454027 /nfs/dbraw/zinc/45/40/27/952454027.db2.gz MWIQFWCUFZQZIG-JTQLQIEISA-N -1 3 331.782 3.702 20 0 EHADHM C[C@H]1CCCN(Cc2cc(F)c(C(F)(F)F)cc2F)[C@H]1C(=O)[O-] ZINC001589334672 953982447 /nfs/dbraw/zinc/98/24/47/953982447.db2.gz RNLKKDLCEDOOBM-ISVAXAHUSA-N -1 3 337.288 3.669 20 0 EHADHM CC(C)C[C@@H]1C[C@H]1NCc1ccc(C(=O)[O-])cc1Br ZINC000385386490 971998655 /nfs/dbraw/zinc/99/86/55/971998655.db2.gz QQAJLZHXHHKGRA-TZMCWYRMSA-N -1 3 326.234 3.672 20 0 EHADHM CN(CCC1(C(=O)[O-])CCC1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC001593742070 954359176 /nfs/dbraw/zinc/35/91/76/954359176.db2.gz OXEDSPKYYSSQNI-ZDUSSCGKSA-N -1 3 346.254 3.604 20 0 EHADHM O=c1cc(CN(Cc2cccs2)CC(F)(F)F)nc(C2CC2)[n-]1 ZINC000459397549 1032063488 /nfs/dbraw/zinc/06/34/88/1032063488.db2.gz WUCIIYBMDAOWCZ-UHFFFAOYSA-N -1 3 343.374 3.686 20 0 EHADHM CC(C)c1nn(-c2ccccc2)c(Cl)c1CN[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000874047071 956106226 /nfs/dbraw/zinc/10/62/26/956106226.db2.gz OYUYXORAIQTUSM-BETUJISGSA-N -1 3 347.846 3.602 20 0 EHADHM O=C([O-])c1ccccc1OCCN1CCC[C@@H]1c1cccc(F)c1 ZINC000183914686 959454373 /nfs/dbraw/zinc/45/43/73/959454373.db2.gz KMRIKDFISHJIQO-QGZVFWFLSA-N -1 3 329.371 3.740 20 0 EHADHM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000263157839 1125472306 /nfs/dbraw/zinc/47/23/06/1125472306.db2.gz FXORIVJCGWQBLL-YPMHNXCESA-N -1 3 334.803 3.538 20 0 EHADHM COc1ccccc1[C@H](NC1CC(CC(=O)[O-])C1)c1ccccc1 ZINC001333136763 961652940 /nfs/dbraw/zinc/65/29/40/961652940.db2.gz PIDYDYGNKYDSIN-QJXPYNDKSA-N -1 3 325.408 3.628 20 0 EHADHM O=C([O-])c1ccc2c(c1)CCN(C[C@H]1[C@H](c3ccccc3)C1(F)F)C2 ZINC001550350267 962997541 /nfs/dbraw/zinc/99/75/41/962997541.db2.gz BGRNMOWZFJHKCW-ROUUACIJSA-N -1 3 343.373 3.792 20 0 EHADHM O=C([O-])[C@@H]1C[C@@H](N[C@H]2CCc3nc(Cl)ccc32)c2ccccc21 ZINC001605984813 973031014 /nfs/dbraw/zinc/03/10/14/973031014.db2.gz ZIFMUQUIXRAFOI-IJEWVQPXSA-N -1 3 328.799 3.625 20 0 EHADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN[C@H]3C[C@H]3C3CCCCC3)o2)C1 ZINC001605997398 973066832 /nfs/dbraw/zinc/06/68/32/973066832.db2.gz CNOSYVXTAMJONN-NJAFHUGGSA-N -1 3 346.471 3.639 20 0 EHADHM COc1ccc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1Cl ZINC000426752819 974046296 /nfs/dbraw/zinc/04/62/96/974046296.db2.gz FLHAUUYPJRJOCM-QGZVFWFLSA-N -1 3 333.815 3.881 20 0 EHADHM COCCN(CCCc1ccccc1)Cc1ccc(C(=O)[O-])cc1F ZINC000516656884 974308603 /nfs/dbraw/zinc/30/86/03/974308603.db2.gz PIDUZPUDCTYQPA-UHFFFAOYSA-N -1 3 345.414 3.605 20 0 EHADHM O=C([O-])c1cc(CN2CC[C@H](OCCCc3ccccc3)C2)cs1 ZINC000568281689 974663811 /nfs/dbraw/zinc/66/38/11/974663811.db2.gz YFAAIDDUPUIOPG-KRWDZBQOSA-N -1 3 345.464 3.670 20 0 EHADHM CN(Cc1ccc(OCC(=O)[O-])cc1)Cc1cccc(C(F)F)c1 ZINC000576472025 974815261 /nfs/dbraw/zinc/81/52/61/974815261.db2.gz FMHJMKKZVJLAAJ-UHFFFAOYSA-N -1 3 335.350 3.720 20 0 EHADHM O=C([O-])c1ccc(-c2nc(CN3C[C@@H]4CCC[C@@H]4C3)cs2)cc1 ZINC000577618733 974839454 /nfs/dbraw/zinc/83/94/54/974839454.db2.gz RQFVCWAZWTVFKV-GASCZTMLSA-N -1 3 328.437 3.740 20 0 EHADHM Cc1cc([C@H](C)N2CC[C@]3(C2)CCc2ccccc2O3)oc1C(=O)[O-] ZINC000581955376 974918235 /nfs/dbraw/zinc/91/82/35/974918235.db2.gz FJDGMSCENFXFEB-XOBRGWDASA-N -1 3 341.407 3.817 20 0 EHADHM 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327.399 3.869 20 0 EHADHM C[C@@H](Oc1ccc(CN2CC([C@@H]3CCC[C@@H](C)C3)C2)cc1)C(=O)[O-] ZINC001594344315 999302253 /nfs/dbraw/zinc/30/22/53/999302253.db2.gz CGHZMEMOAGJOMO-BFYDXBDKSA-N -1 3 331.456 3.797 20 0 EHADHM C[C@@H]1CCc2ccccc2[C@@H]1NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001594444985 999636289 /nfs/dbraw/zinc/63/62/89/999636289.db2.gz DKULRYMNLRVTOB-BDJLRTHQSA-N -1 3 330.815 3.846 20 0 EHADHM O=C(Nc1cc(Cl)ccc1[O-])c1c[nH]nc1-c1c(F)cccc1F ZINC000340241773 1016764018 /nfs/dbraw/zinc/76/40/18/1016764018.db2.gz SYENSRJMWLGAGG-UHFFFAOYSA-N -1 3 349.724 3.966 20 0 EHADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)[C@H](C)C(C)(C)C)nc21 ZINC001266467595 1016863064 /nfs/dbraw/zinc/86/30/64/1016863064.db2.gz ZMPKMMZAEQAJIX-QWRGUYRKSA-N -1 3 331.416 3.606 20 0 EHADHM CCc1ccc([O-])c(C(=O)N(C)Cc2ccccc2Br)c1 ZINC000109813959 1016876044 /nfs/dbraw/zinc/87/60/44/1016876044.db2.gz ZJPOWWJIDKQQLM-UHFFFAOYSA-N -1 3 348.240 3.989 20 0 EHADHM C[C@H]1CSCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000179596703 1016877223 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CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1C ZINC000125272077 1032394240 /nfs/dbraw/zinc/39/42/40/1032394240.db2.gz ISYJFVPXPWUAIT-UHFFFAOYSA-N -1 3 340.301 3.811 20 0 EHADHM CCc1ccc([O-])c(C(=O)N2CCC(C)(C(=O)OC(C)(C)C)CC2)c1 ZINC000592877341 1032601437 /nfs/dbraw/zinc/60/14/37/1032601437.db2.gz KKLQBJWWVBRPDL-UHFFFAOYSA-N -1 3 347.455 3.539 20 0 EHADHM Cc1csc([C@@H]([N-]S(=O)(=O)c2cc(C)c(C)s2)C2CC2)n1 ZINC000091042835 1032626449 /nfs/dbraw/zinc/62/64/49/1032626449.db2.gz ISNJQRBTQZKOLG-ZDUSSCGKSA-N -1 3 342.511 3.559 20 0 EHADHM Cc1nc(CC2CC2)sc1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000188448231 1017175712 /nfs/dbraw/zinc/17/57/12/1017175712.db2.gz CQMZUYDNKBXCGI-UHFFFAOYSA-N -1 3 348.375 3.527 20 0 EHADHM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(Br)cc1[O-] ZINC000603198138 1033432270 /nfs/dbraw/zinc/43/22/70/1033432270.db2.gz PUJQHBQJPZPYAY-HZMBPMFUSA-N -1 3 342.233 3.689 20 0 EHADHM [O-]c1cc(Br)cnc1CNC1(c2ccccc2)CCC1 ZINC000892755661 1017341311 /nfs/dbraw/zinc/34/13/11/1017341311.db2.gz OLBBHGSQPMEHAA-UHFFFAOYSA-N -1 3 333.229 3.719 20 0 EHADHM CCCCOc1ccccc1CN=c1[n-]ncn1Cc1ccccc1 ZINC000547961504 1017670516 /nfs/dbraw/zinc/67/05/16/1017670516.db2.gz CAEMAVNTXAEYFI-UHFFFAOYSA-N -1 3 336.439 3.539 20 0 EHADHM CCCc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)ccc1Cl ZINC000472784544 1017921254 /nfs/dbraw/zinc/92/12/54/1017921254.db2.gz HYQUWDRCXFEKLJ-UHFFFAOYSA-N -1 3 332.713 3.682 20 0 EHADHM CCCc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)ccc1Cl ZINC000472784544 1017921266 /nfs/dbraw/zinc/92/12/66/1017921266.db2.gz HYQUWDRCXFEKLJ-UHFFFAOYSA-N -1 3 332.713 3.682 20 0 EHADHM CSc1ccncc1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000683708229 1018101528 /nfs/dbraw/zinc/10/15/28/1018101528.db2.gz WRLXBOQCDAYAOW-UHFFFAOYSA-N -1 3 346.836 3.538 20 0 EHADHM CCOC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2C)c([O-])c1 ZINC000511530818 1018300116 /nfs/dbraw/zinc/30/01/16/1018300116.db2.gz IWUSHEWSCFQMND-UHFFFAOYSA-N -1 3 333.771 3.783 20 0 EHADHM CCc1ccc([O-])c(C(=O)N2CCC(c3cccc(OC)c3)CC2)c1 ZINC000548051635 1018529639 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COC(=O)c1[n-]c(=N[C@@H](C)CSc2ccc(C)cc2)sc1C ZINC000433785240 1019609452 /nfs/dbraw/zinc/60/94/52/1019609452.db2.gz HWJFPAWRVGCCCC-NSHDSACASA-N -1 3 336.482 3.561 20 0 EHADHM O=C(NCc1ccc([O-])c(F)c1)N(Cc1ccccc1F)CC1CC1 ZINC000664193592 1019731637 /nfs/dbraw/zinc/73/16/37/1019731637.db2.gz VLJLVAIHAYSBTR-UHFFFAOYSA-N -1 3 346.377 3.792 20 0 EHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)cc1 ZINC000055652263 1020097752 /nfs/dbraw/zinc/09/77/52/1020097752.db2.gz NEVDCXCAAYQKSB-UHFFFAOYSA-N -1 3 349.452 3.982 20 0 EHADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2C)cc1 ZINC000055663436 1020125029 /nfs/dbraw/zinc/12/50/29/1020125029.db2.gz GJCWQZHTAMWMAB-UHFFFAOYSA-N -1 3 335.425 3.593 20 0 EHADHM CC[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1nc(C)cs1 ZINC000345581329 1020373369 /nfs/dbraw/zinc/37/33/69/1020373369.db2.gz BTRDKWOYSZZDDK-AWEZNQCLSA-N -1 3 336.432 3.886 20 0 EHADHM C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)NCc2ncccc2[O-])C1 ZINC000581058892 1020393004 /nfs/dbraw/zinc/39/30/04/1020393004.db2.gz DQCHENBXIWSLEO-UAGQMJEPSA-N -1 3 339.439 3.559 20 0 EHADHM O=C([N-]c1ccncc1F)c1cc2sc(N3CCCC3)nc2s1 ZINC000280522472 1020438111 /nfs/dbraw/zinc/43/81/11/1020438111.db2.gz QVOXAPDOZMHDNU-UHFFFAOYSA-N -1 3 348.428 3.744 20 0 EHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000156026240 1020498311 /nfs/dbraw/zinc/49/83/11/1020498311.db2.gz IHESDLBUFOMTAP-OAHLLOKOSA-N -1 3 339.823 3.520 20 0 EHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000156026240 1020498314 /nfs/dbraw/zinc/49/83/14/1020498314.db2.gz IHESDLBUFOMTAP-OAHLLOKOSA-N -1 3 339.823 3.520 20 0 EHADHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c(C)c1 ZINC000096659504 1020534029 /nfs/dbraw/zinc/53/40/29/1020534029.db2.gz NQDJXNONFKJWBS-UHFFFAOYSA-N -1 3 329.780 3.597 20 0 EHADHM COc1ccccc1-c1cc(=NC(=O)[C@@H](C)c2cccc(C)c2)[nH][n-]1 ZINC000606931579 1032917523 /nfs/dbraw/zinc/91/75/23/1032917523.db2.gz WTTKYUSIWULHCX-AWEZNQCLSA-N -1 3 335.407 3.558 20 0 EHADHM CC(C)n1cc2cc(NC(=O)c3c[n-]c4ccccc4c3=O)ccc2n1 ZINC000345906195 1020601556 /nfs/dbraw/zinc/60/15/56/1020601556.db2.gz SGINLFBCZRODEM-UHFFFAOYSA-N -1 3 346.390 3.711 20 0 EHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(COC2CCCC2)cc1 ZINC000156089119 1020601774 /nfs/dbraw/zinc/60/17/74/1020601774.db2.gz MCYJXTYFWWNKKS-KRWDZBQOSA-N -1 3 334.416 3.726 20 0 EHADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(COC2CCCC2)cc1 ZINC000156089119 1020601779 /nfs/dbraw/zinc/60/17/79/1020601779.db2.gz MCYJXTYFWWNKKS-KRWDZBQOSA-N -1 3 334.416 3.726 20 0 EHADHM Cc1ccc([O-])c(NC(=O)[C@H](OC2CCCC2)c2ccccc2)n1 ZINC000345931646 1020619355 /nfs/dbraw/zinc/61/93/55/1020619355.db2.gz QPPIRXSCVVFLGJ-QGZVFWFLSA-N -1 3 326.396 3.735 20 0 EHADHM C[C@H]1C[C@@H](CSCc2cc(=O)[n-]c(-c3ccccc3)n2)CCO1 ZINC000419499631 1020680990 /nfs/dbraw/zinc/68/09/90/1020680990.db2.gz PJFDBFDPQRZQFW-KBPBESRZSA-N -1 3 330.453 3.898 20 0 EHADHM CCO[C@@H](C)c1ncc(C(=O)[N-]c2cc(C3(C)CCCC3)on2)s1 ZINC000581468807 1020939274 /nfs/dbraw/zinc/93/92/74/1020939274.db2.gz OEDQWRTVOIKXJP-NSHDSACASA-N -1 3 349.456 3.735 20 0 EHADHM CO[C@H](CS(=O)(=O)[N-]c1ccccc1Cl)C1CCCCC1 ZINC000656613739 1021029733 /nfs/dbraw/zinc/02/97/33/1021029733.db2.gz PZYFXCWZBNAUGI-OAHLLOKOSA-N -1 3 331.865 3.677 20 0 EHADHM C[C@H](NCc1cccc([O-])c1Cl)C(=O)N1c2ccccc2C[C@@H]1C ZINC000449647733 1032953373 /nfs/dbraw/zinc/95/33/73/1032953373.db2.gz QSAMOKHMHVDJDO-STQMWFEESA-N -1 3 344.842 3.502 20 0 EHADHM CC(C)c1ccc(C(=O)N(C)CCCC(=O)OC(C)(C)C)c([O-])c1 ZINC000436798023 1021242063 /nfs/dbraw/zinc/24/20/63/1021242063.db2.gz QLFAQSMABYLXBJ-UHFFFAOYSA-N -1 3 335.444 3.710 20 0 EHADHM CCc1ccc(C(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)c([O-])c1 ZINC000436810145 1021254988 /nfs/dbraw/zinc/25/49/88/1021254988.db2.gz WTHPWCCUYFJPMY-SFHVURJKSA-N -1 3 339.435 3.776 20 0 EHADHM CCc1ccc(C(=O)N2C[C@@H](C)OC[C@@H]2c2ccccc2)c([O-])c1 ZINC000436834900 1021266466 /nfs/dbraw/zinc/26/64/66/1021266466.db2.gz RZWGLIIMCOAOGC-RDTXWAMCSA-N -1 3 325.408 3.557 20 0 EHADHM O=C(c1ccc(O)cc1[O-])N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000436845966 1021288592 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O=C(c1ccc(O)cc1[O-])N(Cc1cccc(F)c1)C1CCCC1 ZINC000436936348 1021396755 /nfs/dbraw/zinc/39/67/55/1021396755.db2.gz BLXWCRRQSJDFQP-UHFFFAOYSA-N -1 3 329.371 3.822 20 0 EHADHM CCCCOc1ccc(C(=O)N[C@@H]2CCO[C@H](C(C)C)C2)c([O-])c1 ZINC000436975953 1021430053 /nfs/dbraw/zinc/43/00/53/1021430053.db2.gz AWVCDKGQGALWRA-KDOFPFPSSA-N -1 3 335.444 3.505 20 0 EHADHM CCCCOc1ccc(C(=O)N2CCS[C@@H](C(C)C)C2)c([O-])c1 ZINC000436991115 1021445998 /nfs/dbraw/zinc/44/59/98/1021445998.db2.gz XKYYZCWTGCKIMO-QGZVFWFLSA-N -1 3 337.485 3.785 20 0 EHADHM CC(=O)c1ccc(C(=O)N2CC3(CCC3)c3c2cccc3F)cc1[O-] ZINC000664884063 1021503143 /nfs/dbraw/zinc/50/31/43/1021503143.db2.gz LONPQPXEICHLAY-UHFFFAOYSA-N -1 3 339.366 3.816 20 0 EHADHM COC(=O)c1ccc(-c2nc(-c3ccc4cc(OC)ccc4c3)no2)[n-]1 ZINC000426436452 1021571087 /nfs/dbraw/zinc/57/10/87/1021571087.db2.gz IPSCUZNWUMVZMT-UHFFFAOYSA-N -1 3 349.346 3.680 20 0 EHADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000519644314 1021594689 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O=S(=O)([N-][C@H]1CCc2ccc(F)cc21)c1cc(F)ccc1Cl ZINC000519335788 1022028603 /nfs/dbraw/zinc/02/86/03/1022028603.db2.gz IYNTUQXTHUUARX-AWEZNQCLSA-N -1 3 343.782 3.584 20 0 EHADHM C[C@@H](Oc1cccc(C(C)(C)C)c1)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000581884031 1022118146 /nfs/dbraw/zinc/11/81/46/1022118146.db2.gz PCHRZPIGZRMHQL-LLVKDONJSA-N -1 3 340.383 3.670 20 0 EHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(C)(C4CC4)CC3)nc2)n1 ZINC000520299210 1022120850 /nfs/dbraw/zinc/12/08/50/1022120850.db2.gz INUNQAXDJPTLIT-UHFFFAOYSA-N -1 3 338.455 3.823 20 0 EHADHM O=C(COc1ccc(F)c(Cl)c1)Nc1cc(Cl)ccc1[O-] ZINC000111210211 1022433987 /nfs/dbraw/zinc/43/39/87/1022433987.db2.gz FVGITVRXGDVAKL-UHFFFAOYSA-N -1 3 330.142 3.856 20 0 EHADHM O=C(c1cc(F)ccc1F)C1CCN(Cc2ccc([O-])c(F)c2)CC1 ZINC000891724912 1022471649 /nfs/dbraw/zinc/47/16/49/1022471649.db2.gz KPNBLUKWHHCMHI-UHFFFAOYSA-N -1 3 349.352 3.904 20 0 EHADHM CCc1cc(=O)[n-]c(CSCc2ccn(-c3ccccc3F)n2)n1 ZINC000438300256 1022542966 /nfs/dbraw/zinc/54/29/66/1022542966.db2.gz 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3.671 20 0 EHADHM O=C(NCc1ccc([O-])c(F)c1)C1(Cc2ccccc2Cl)CC1 ZINC000190200895 1023176312 /nfs/dbraw/zinc/17/63/12/1023176312.db2.gz BTZSWTYSKITJDY-UHFFFAOYSA-N -1 3 333.790 3.824 20 0 EHADHM CC(C)[C@@H](CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1ccccc1 ZINC000427063881 1023184904 /nfs/dbraw/zinc/18/49/04/1023184904.db2.gz GEKRRPYRBFEKMM-GOSISDBHSA-N -1 3 349.438 3.559 20 0 EHADHM CC(C)[C@@H](CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1ccccc1 ZINC000427063881 1023184910 /nfs/dbraw/zinc/18/49/10/1023184910.db2.gz GEKRRPYRBFEKMM-GOSISDBHSA-N -1 3 349.438 3.559 20 0 EHADHM C[C@@H](CC(=O)NCc1ccc([O-])c(F)c1)c1c[nH]c2ccccc21 ZINC000427061486 1023192105 /nfs/dbraw/zinc/19/21/05/1023192105.db2.gz LNKYJAGLQWCAGE-LBPRGKRZSA-N -1 3 326.371 3.823 20 0 EHADHM CSc1nc(NC(=O)c2cc(C)n(C3CCCCC3)c2C)n[n-]1 ZINC000341834455 1023421330 /nfs/dbraw/zinc/42/13/30/1023421330.db2.gz KKDOWNXVEFWPKZ-UHFFFAOYSA-N -1 3 333.461 3.702 20 0 EHADHM CCCCOc1ccc(CNCc2ccccc2CC(=O)[O-])cc1 ZINC000276986675 1023656165 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C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2F)o1 ZINC000614622025 1024248150 /nfs/dbraw/zinc/24/81/50/1024248150.db2.gz IWJKGSFDDZVHHJ-BXKDBHETSA-N -1 3 343.807 3.674 20 0 EHADHM O=C([O-])[C@H](CNCc1csc(-c2ccc(F)cc2)n1)C1CCC1 ZINC000665362752 1024294184 /nfs/dbraw/zinc/29/41/84/1024294184.db2.gz LDHYYTHGJBAPLV-OAHLLOKOSA-N -1 3 334.416 3.540 20 0 EHADHM Cc1c(C[N-]S(=O)(=O)c2ccc(Cl)s2)oc2ccccc12 ZINC000522375256 1024385717 /nfs/dbraw/zinc/38/57/17/1024385717.db2.gz LJKYWQIZZILDAA-UHFFFAOYSA-N -1 3 341.841 3.935 20 0 EHADHM COCc1cccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)c1 ZINC000029048269 1024435021 /nfs/dbraw/zinc/43/50/21/1024435021.db2.gz JWJWGMSYJFIKOF-UHFFFAOYSA-N -1 3 349.452 3.669 20 0 EHADHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)COC3)ccc1OC(C)C ZINC000607616837 1033217029 /nfs/dbraw/zinc/21/70/29/1033217029.db2.gz VNNGKLUWLFQXGR-UHFFFAOYSA-N -1 3 347.436 3.613 20 0 EHADHM C[C@H]1C[C@@H](c2cccnc2)N(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000346244748 1024558533 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O=C(NCc1ncccc1[O-])Nc1ccc(C(F)(F)F)cc1Cl ZINC000348760659 1141575999 /nfs/dbraw/zinc/57/59/99/1141575999.db2.gz AQDLORVVAXIXJK-UHFFFAOYSA-N -1 3 345.708 3.781 20 0 EHADHM Cc1cc(Cl)ccc1NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000078776124 217118605 /nfs/dbraw/zinc/11/86/05/217118605.db2.gz GLLLMRCFQWYSQW-UHFFFAOYSA-N -1 3 333.819 3.590 20 0 EHADHM Cc1cccc([C@@H](C)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000737384583 598829729 /nfs/dbraw/zinc/82/97/29/598829729.db2.gz KZWHPNLRDJTQSL-LLVKDONJSA-N -1 3 341.802 3.571 20 0 EHADHM Cc1cccc([C@@H](C)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000737384583 598829732 /nfs/dbraw/zinc/82/97/32/598829732.db2.gz KZWHPNLRDJTQSL-LLVKDONJSA-N -1 3 341.802 3.571 20 0 EHADHM CC[C@H]1CCCCCN1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736399514 598903625 /nfs/dbraw/zinc/90/36/25/598903625.db2.gz IBAPTGHJGXSDAS-LBPRGKRZSA-N -1 3 348.838 3.707 20 0 EHADHM CC[C@H]1CCCCCN1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736399514 598903627 /nfs/dbraw/zinc/90/36/27/598903627.db2.gz IBAPTGHJGXSDAS-LBPRGKRZSA-N -1 3 348.838 3.707 20 0 EHADHM Fc1ccc(CSC2=Nc3ccccc3C2)c(-c2nnn[n-]2)c1 ZINC000737650379 598939936 /nfs/dbraw/zinc/93/99/36/598939936.db2.gz RASZWJHHPPULOQ-UHFFFAOYSA-N -1 3 325.372 3.525 20 0 EHADHM Fc1ccc(CSC2=Nc3ccccc3C2)c(-c2nn[n-]n2)c1 ZINC000737650379 598939938 /nfs/dbraw/zinc/93/99/38/598939938.db2.gz RASZWJHHPPULOQ-UHFFFAOYSA-N -1 3 325.372 3.525 20 0 EHADHM CCCCC[C@H](NC(=O)c1sccc1-c1nnn[n-]1)C(C)(C)C ZINC000736440270 599008863 /nfs/dbraw/zinc/00/88/63/599008863.db2.gz BVDUIDOWNQMKCU-LBPRGKRZSA-N -1 3 335.477 3.653 20 0 EHADHM CCCCC[C@H](NC(=O)c1sccc1-c1nn[n-]n1)C(C)(C)C ZINC000736440270 599008864 /nfs/dbraw/zinc/00/88/64/599008864.db2.gz BVDUIDOWNQMKCU-LBPRGKRZSA-N -1 3 335.477 3.653 20 0 EHADHM Fc1cccc(N2CC[C@H]2c2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC000822792395 599062922 /nfs/dbraw/zinc/06/29/22/599062922.db2.gz VFXDEAQLJCFZOP-ZDUSSCGKSA-N -1 3 329.766 3.611 20 0 EHADHM Fc1cccc(N2CC[C@H]2c2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000822792395 599062925 /nfs/dbraw/zinc/06/29/25/599062925.db2.gz VFXDEAQLJCFZOP-ZDUSSCGKSA-N -1 3 329.766 3.611 20 0 EHADHM CCCCc1noc([C@@H](C)Sc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000736466529 599065587 /nfs/dbraw/zinc/06/55/87/599065587.db2.gz MGZFTIVMZUFSLW-SECBINFHSA-N -1 3 348.407 3.585 20 0 EHADHM CCCCc1noc([C@@H](C)Sc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000736466529 599065589 /nfs/dbraw/zinc/06/55/89/599065589.db2.gz MGZFTIVMZUFSLW-SECBINFHSA-N -1 3 348.407 3.585 20 0 EHADHM C[C@H](OC(=O)C[C@@H]1CCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000736147545 599153632 /nfs/dbraw/zinc/15/36/32/599153632.db2.gz CBMWQBQWHFMBBP-BBRMVZONSA-N -1 3 348.406 3.591 20 0 EHADHM C[C@H](OC(=O)C[C@@H]1CCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000736147545 599153635 /nfs/dbraw/zinc/15/36/35/599153635.db2.gz CBMWQBQWHFMBBP-BBRMVZONSA-N -1 3 348.406 3.591 20 0 EHADHM Clc1ccc(Cl)c(CSc2cc(-c3nnn[n-]3)ccn2)c1 ZINC000737575416 599165161 /nfs/dbraw/zinc/16/51/61/599165161.db2.gz JSKNPNOJMNBJPQ-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM Clc1ccc(Cl)c(CSc2cc(-c3nn[n-]n3)ccn2)c1 ZINC000737575416 599165163 /nfs/dbraw/zinc/16/51/63/599165163.db2.gz JSKNPNOJMNBJPQ-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM CC[C@@H](CC(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1ccccc1 ZINC000820882430 607267527 /nfs/dbraw/zinc/26/75/27/607267527.db2.gz RJHQZZOKVVGDIJ-AWEZNQCLSA-N -1 3 335.411 3.698 20 0 EHADHM CC[C@@H](CC(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1ccccc1 ZINC000820882430 607267528 /nfs/dbraw/zinc/26/75/28/607267528.db2.gz RJHQZZOKVVGDIJ-AWEZNQCLSA-N -1 3 335.411 3.698 20 0 EHADHM C[C@H](OC(=O)CCCSC(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000824712782 607836428 /nfs/dbraw/zinc/83/64/28/607836428.db2.gz DADFTEPXFVHGKY-LBPRGKRZSA-N -1 3 348.472 3.783 20 0 EHADHM C[C@H](OC(=O)CCCSC(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000824712782 607836429 /nfs/dbraw/zinc/83/64/29/607836429.db2.gz DADFTEPXFVHGKY-LBPRGKRZSA-N -1 3 348.472 3.783 20 0 EHADHM COc1cc(C)c([C@@H](C)NCc2ccc(C(=O)[O-])cc2)cc1OC ZINC000263509196 597243586 /nfs/dbraw/zinc/24/35/86/597243586.db2.gz YFGHCHFYPHPZCN-CYBMUJFWSA-N -1 3 329.396 3.561 20 0 EHADHM Cc1c(NC(=O)N2CCC[C@@H]2CCC(C)C)cccc1-c1nnn[n-]1 ZINC000822083887 607281188 /nfs/dbraw/zinc/28/11/88/607281188.db2.gz FATLHUTVCLLULX-CQSZACIVSA-N -1 3 342.447 3.608 20 0 EHADHM Cc1c(NC(=O)N2CCC[C@@H]2CCC(C)C)cccc1-c1nn[n-]n1 ZINC000822083887 607281189 /nfs/dbraw/zinc/28/11/89/607281189.db2.gz FATLHUTVCLLULX-CQSZACIVSA-N -1 3 342.447 3.608 20 0 EHADHM COc1ccc(CNc2ccc3ccccc3c2)cc1-c1nnn[n-]1 ZINC000821821430 607307955 /nfs/dbraw/zinc/30/79/55/607307955.db2.gz GFZYUTQZDBASMV-UHFFFAOYSA-N -1 3 331.379 3.641 20 0 EHADHM COc1ccc(CNc2ccc3ccccc3c2)cc1-c1nn[n-]n1 ZINC000821821430 607307956 /nfs/dbraw/zinc/30/79/56/607307956.db2.gz GFZYUTQZDBASMV-UHFFFAOYSA-N -1 3 331.379 3.641 20 0 EHADHM c1cc(-c2nnn[n-]2)sc1CNc1cccc(N2CCCCC2)c1 ZINC000823757344 607310238 /nfs/dbraw/zinc/31/02/38/607310238.db2.gz PJJPYHHQISKSCF-UHFFFAOYSA-N -1 3 340.456 3.531 20 0 EHADHM CCSCc1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000821460949 607318531 /nfs/dbraw/zinc/31/85/31/607318531.db2.gz HIIZFLZNVMQZEW-UHFFFAOYSA-N -1 3 331.470 3.793 20 0 EHADHM CCC(CC)n1ccc(CSCc2ccccc2-c2nnn[n-]2)n1 ZINC000820901879 607325759 /nfs/dbraw/zinc/32/57/59/607325759.db2.gz FLCJOCOCFPKETF-UHFFFAOYSA-N -1 3 342.472 3.858 20 0 EHADHM CCC(CC)n1ccc(CSCc2ccccc2-c2nn[n-]n2)n1 ZINC000820901879 607325760 /nfs/dbraw/zinc/32/57/60/607325760.db2.gz FLCJOCOCFPKETF-UHFFFAOYSA-N -1 3 342.472 3.858 20 0 EHADHM Cc1cn(Cc2csc(C3CCCCC3)n2)cc1-c1nnn[n-]1 ZINC000822389530 607330685 /nfs/dbraw/zinc/33/06/85/607330685.db2.gz ZPVMSBDZIVUFCF-UHFFFAOYSA-N -1 3 328.445 3.529 20 0 EHADHM Cc1cn(Cc2csc(C3CCCCC3)n2)cc1-c1nn[n-]n1 ZINC000822389530 607330686 /nfs/dbraw/zinc/33/06/86/607330686.db2.gz ZPVMSBDZIVUFCF-UHFFFAOYSA-N -1 3 328.445 3.529 20 0 EHADHM Fc1ccccc1CNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000822796761 607345277 /nfs/dbraw/zinc/34/52/77/607345277.db2.gz XTRDOJNWBQYNLJ-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Fc1ccccc1CNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000822796761 607345278 /nfs/dbraw/zinc/34/52/78/607345278.db2.gz XTRDOJNWBQYNLJ-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Cc1ccc(SCCNc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737369799 598236456 /nfs/dbraw/zinc/23/64/56/598236456.db2.gz WSWYXDUBJGEMIX-UHFFFAOYSA-N -1 3 329.404 3.518 20 0 EHADHM Cc1[nH]c2ccc(CNc3ccc(-c4nn[n-]n4)cc3F)cc2c1C ZINC000737200878 598241907 /nfs/dbraw/zinc/24/19/07/598241907.db2.gz VNWJWSBVODMGKX-UHFFFAOYSA-N -1 3 336.374 3.716 20 0 EHADHM FC(F)(F)c1ccccc1[C@H]1C[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737635869 598245731 /nfs/dbraw/zinc/24/57/31/598245731.db2.gz OFCUHXWUZOXTMD-HIFRSBDPSA-N -1 3 345.328 3.854 20 0 EHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(C(F)F)cc2)s1 ZINC000736679658 598327457 /nfs/dbraw/zinc/32/74/57/598327457.db2.gz YZVXRTKZEIPIQJ-UHFFFAOYSA-N -1 3 349.366 3.681 20 0 EHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(C(F)F)cc2)s1 ZINC000736679658 598327459 /nfs/dbraw/zinc/32/74/59/598327459.db2.gz YZVXRTKZEIPIQJ-UHFFFAOYSA-N -1 3 349.366 3.681 20 0 EHADHM CCC(C)(C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000736313146 598365325 /nfs/dbraw/zinc/36/53/25/598365325.db2.gz LUBAOSIQUKZFTO-UHFFFAOYSA-N -1 3 347.488 3.962 20 0 EHADHM CCC(C)(C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000736313146 598365327 /nfs/dbraw/zinc/36/53/27/598365327.db2.gz LUBAOSIQUKZFTO-UHFFFAOYSA-N -1 3 347.488 3.962 20 0 EHADHM Cc1ccc(C)c(N(C(=O)c2cccc(-c3nnn[n-]3)c2)C(C)C)c1 ZINC000737321605 598373277 /nfs/dbraw/zinc/37/32/77/598373277.db2.gz GQSLOOOHNUSGDR-UHFFFAOYSA-N -1 3 335.411 3.539 20 0 EHADHM Cc1ccc(C)c(N(C(=O)c2cccc(-c3nn[n-]n3)c2)C(C)C)c1 ZINC000737321605 598373279 /nfs/dbraw/zinc/37/32/79/598373279.db2.gz GQSLOOOHNUSGDR-UHFFFAOYSA-N -1 3 335.411 3.539 20 0 EHADHM Cc1ccc2c(c1)[C@H](Nc1ccc(Cl)cc1-c1nnn[n-]1)CC2 ZINC000737371975 598388557 /nfs/dbraw/zinc/38/85/57/598388557.db2.gz RZUQCECMKBDDRG-OAHLLOKOSA-N -1 3 325.803 3.928 20 0 EHADHM Cc1ccc2c(c1)[C@H](Nc1ccc(Cl)cc1-c1nn[n-]n1)CC2 ZINC000737371975 598388559 /nfs/dbraw/zinc/38/85/59/598388559.db2.gz RZUQCECMKBDDRG-OAHLLOKOSA-N -1 3 325.803 3.928 20 0 EHADHM CCc1c(C)sc(NC(=O)CC2=CCCCC2)c1-c1nnn[n-]1 ZINC000736669237 598396630 /nfs/dbraw/zinc/39/66/30/598396630.db2.gz AGTVETIIUBFBIY-UHFFFAOYSA-N -1 3 331.445 3.628 20 0 EHADHM CCc1c(C)sc(NC(=O)CC2=CCCCC2)c1-c1nn[n-]n1 ZINC000736669237 598396632 /nfs/dbraw/zinc/39/66/32/598396632.db2.gz AGTVETIIUBFBIY-UHFFFAOYSA-N -1 3 331.445 3.628 20 0 EHADHM CC(=CC(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1Cl ZINC000735447775 598440335 /nfs/dbraw/zinc/44/03/35/598440335.db2.gz MCSAKMCIPLFLQX-ZHACJKMWSA-N -1 3 340.770 3.529 20 0 EHADHM CC(=CC(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000735447775 598440336 /nfs/dbraw/zinc/44/03/36/598440336.db2.gz MCSAKMCIPLFLQX-ZHACJKMWSA-N -1 3 340.770 3.529 20 0 EHADHM CCCCCC[C@H](C)CC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736447141 598494694 /nfs/dbraw/zinc/49/46/94/598494694.db2.gz RBHYDBDWCMLXST-HNNXBMFYSA-N -1 3 343.475 3.822 20 0 EHADHM CCCCCC[C@H](C)CC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736447141 598494695 /nfs/dbraw/zinc/49/46/95/598494695.db2.gz RBHYDBDWCMLXST-HNNXBMFYSA-N -1 3 343.475 3.822 20 0 EHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C[C@@H](C)CC(C)C ZINC000736478603 598494759 /nfs/dbraw/zinc/49/47/59/598494759.db2.gz FCSDFLBRTHEAED-HNNXBMFYSA-N -1 3 343.475 3.678 20 0 EHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C[C@@H](C)CC(C)C ZINC000736478603 598494757 /nfs/dbraw/zinc/49/47/57/598494757.db2.gz FCSDFLBRTHEAED-HNNXBMFYSA-N -1 3 343.475 3.678 20 0 EHADHM CCCCCC[C@H](C)CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000736444080 598495844 /nfs/dbraw/zinc/49/58/44/598495844.db2.gz CKSUJHDDRSMPSY-AWEZNQCLSA-N -1 3 329.448 3.826 20 0 EHADHM CCCCCC[C@H](C)CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000736444080 598495845 /nfs/dbraw/zinc/49/58/45/598495845.db2.gz CKSUJHDDRSMPSY-AWEZNQCLSA-N -1 3 329.448 3.826 20 0 EHADHM CCc1ccsc1C(=O)Nc1sc(C)c(CC)c1-c1nnn[n-]1 ZINC000736702297 598514401 /nfs/dbraw/zinc/51/44/01/598514401.db2.gz OMJWIJYAZNAFJM-UHFFFAOYSA-N -1 3 347.469 3.675 20 0 EHADHM CCc1ccsc1C(=O)Nc1sc(C)c(CC)c1-c1nn[n-]n1 ZINC000736702297 598514403 /nfs/dbraw/zinc/51/44/03/598514403.db2.gz OMJWIJYAZNAFJM-UHFFFAOYSA-N -1 3 347.469 3.675 20 0 EHADHM Clc1ccc(N2CCC[C@@H]2c2cccs2)c(-c2nnn[n-]2)c1 ZINC000737573698 598592479 /nfs/dbraw/zinc/59/24/79/598592479.db2.gz APVANEFYVDGAQK-CYBMUJFWSA-N -1 3 331.832 3.923 20 0 EHADHM Clc1ccc(N2CCC[C@@H]2c2cccs2)c(-c2nn[n-]n2)c1 ZINC000737573698 598592480 /nfs/dbraw/zinc/59/24/80/598592480.db2.gz APVANEFYVDGAQK-CYBMUJFWSA-N -1 3 331.832 3.923 20 0 EHADHM Cc1ccc(-c2noc(C=Cc3ccccc3-c3nnn[n-]3)n2)cc1F ZINC000737304054 598608741 /nfs/dbraw/zinc/60/87/41/598608741.db2.gz SCSOBUFYDPZANS-HJWRWDBZSA-N -1 3 348.341 3.535 20 0 EHADHM Cc1ccc(-c2noc(C=Cc3ccccc3-c3nn[n-]n3)n2)cc1F ZINC000737304054 598608742 /nfs/dbraw/zinc/60/87/42/598608742.db2.gz SCSOBUFYDPZANS-HJWRWDBZSA-N -1 3 348.341 3.535 20 0 EHADHM Cc1ccc(OCCSCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737366886 598644353 /nfs/dbraw/zinc/64/43/53/598644353.db2.gz XXNMZWOZLFTPON-UHFFFAOYSA-N -1 3 344.415 3.626 20 0 EHADHM Cc1ccc(OCCSCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737366886 598644354 /nfs/dbraw/zinc/64/43/54/598644354.db2.gz XXNMZWOZLFTPON-UHFFFAOYSA-N -1 3 344.415 3.626 20 0 EHADHM Clc1cc(N2CC[C@H](c3ccccc3)C2)ccc1-c1nnn[n-]1 ZINC000737564968 598668486 /nfs/dbraw/zinc/66/84/86/598668486.db2.gz LMMUWFJXHRKQOH-ZDUSSCGKSA-N -1 3 325.803 3.514 20 0 EHADHM Clc1cc(N2CC[C@H](c3ccccc3)C2)ccc1-c1nn[n-]n1 ZINC000737564968 598668488 /nfs/dbraw/zinc/66/84/88/598668488.db2.gz LMMUWFJXHRKQOH-ZDUSSCGKSA-N -1 3 325.803 3.514 20 0 EHADHM Fc1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1Cl ZINC000737648408 598669518 /nfs/dbraw/zinc/66/95/18/598669518.db2.gz KCUAMWADHOQOKV-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM Fc1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1Cl ZINC000737648408 598669519 /nfs/dbraw/zinc/66/95/19/598669519.db2.gz KCUAMWADHOQOKV-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM Cc1cccc(OCCSCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737411885 598694978 /nfs/dbraw/zinc/69/49/78/598694978.db2.gz RBBLVUQXJYRKNR-UHFFFAOYSA-N -1 3 344.415 3.626 20 0 EHADHM Cc1cccc(OCCSCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737411885 598694980 /nfs/dbraw/zinc/69/49/80/598694980.db2.gz RBBLVUQXJYRKNR-UHFFFAOYSA-N -1 3 344.415 3.626 20 0 EHADHM C[C@H](CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1)CC(C)(C)C ZINC000735974349 598709137 /nfs/dbraw/zinc/70/91/37/598709137.db2.gz CASBOPSYLVENPN-LLVKDONJSA-N -1 3 334.395 3.511 20 0 EHADHM C[C@H](CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1)CC(C)(C)C ZINC000735974349 598709138 /nfs/dbraw/zinc/70/91/38/598709138.db2.gz CASBOPSYLVENPN-LLVKDONJSA-N -1 3 334.395 3.511 20 0 EHADHM CC[C@@H](CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736335302 598736175 /nfs/dbraw/zinc/73/61/75/598736175.db2.gz ZVCZPJDOBPFWBZ-CABCVRRESA-N -1 3 349.438 3.628 20 0 EHADHM CC[C@@H](CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736335302 598736176 /nfs/dbraw/zinc/73/61/76/598736176.db2.gz ZVCZPJDOBPFWBZ-CABCVRRESA-N -1 3 349.438 3.628 20 0 EHADHM CC(C)(CCCc1ccccc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000496206483 598788899 /nfs/dbraw/zinc/78/88/99/598788899.db2.gz YEELFGVGVFTOOF-UHFFFAOYSA-N -1 3 349.438 3.854 20 0 EHADHM CC(C)(CCCc1ccccc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000496206483 598788902 /nfs/dbraw/zinc/78/89/02/598788902.db2.gz YEELFGVGVFTOOF-UHFFFAOYSA-N -1 3 349.438 3.854 20 0 EHADHM CCCC[C@H](Nc1ncccc1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000736436529 598816414 /nfs/dbraw/zinc/81/64/14/598816414.db2.gz DIDUHXQLPDKTQY-INIZCTEOSA-N -1 3 338.415 3.614 20 0 EHADHM CCCC[C@H](Nc1ncccc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000736436529 598816416 /nfs/dbraw/zinc/81/64/16/598816416.db2.gz DIDUHXQLPDKTQY-INIZCTEOSA-N -1 3 338.415 3.614 20 0 EHADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccccc1C(F)(F)F ZINC000821736137 607369230 /nfs/dbraw/zinc/36/92/30/607369230.db2.gz CTVABVOMLDTMFD-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccccc1C(F)(F)F ZINC000821736137 607369232 /nfs/dbraw/zinc/36/92/32/607369232.db2.gz CTVABVOMLDTMFD-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM CC(C)c1noc([C@H](C)S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000735953621 599324814 /nfs/dbraw/zinc/32/48/14/599324814.db2.gz XCKOSLUYMZRNCB-QWRGUYRKSA-N -1 3 344.444 3.929 20 0 EHADHM CC(C)c1noc([C@H](C)S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000735953621 599324816 /nfs/dbraw/zinc/32/48/16/599324816.db2.gz XCKOSLUYMZRNCB-QWRGUYRKSA-N -1 3 344.444 3.929 20 0 EHADHM C[C@@H](SCCOc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190359 599325923 /nfs/dbraw/zinc/32/59/23/599325923.db2.gz RLVIVTYJBVVZCR-GFCCVEGCSA-N -1 3 344.415 3.879 20 0 EHADHM C[C@@H](SCCOc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190359 599325925 /nfs/dbraw/zinc/32/59/25/599325925.db2.gz RLVIVTYJBVVZCR-GFCCVEGCSA-N -1 3 344.415 3.879 20 0 EHADHM C[C@H](SCc1nc2ccccc2[nH]1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736192118 599326073 /nfs/dbraw/zinc/32/60/73/599326073.db2.gz KUMXLAHIIDEEHA-NSHDSACASA-N -1 3 336.424 3.737 20 0 EHADHM C[C@H](SCc1nc2ccccc2[nH]1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736192118 599326075 /nfs/dbraw/zinc/32/60/75/599326075.db2.gz KUMXLAHIIDEEHA-NSHDSACASA-N -1 3 336.424 3.737 20 0 EHADHM CC(C)n1ccc(CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000736190634 599326259 /nfs/dbraw/zinc/32/62/59/599326259.db2.gz GDPLVKPEKGBMME-GFCCVEGCSA-N -1 3 328.445 3.639 20 0 EHADHM CC(C)n1ccc(CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736190634 599326262 /nfs/dbraw/zinc/32/62/62/599326262.db2.gz GDPLVKPEKGBMME-GFCCVEGCSA-N -1 3 328.445 3.639 20 0 EHADHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc2ccccc2c1 ZINC000821736369 607369498 /nfs/dbraw/zinc/36/94/98/607369498.db2.gz ILCMMCNXERPFMJ-UHFFFAOYSA-N -1 3 331.379 3.641 20 0 EHADHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc2ccccc2c1 ZINC000821736369 607369500 /nfs/dbraw/zinc/36/95/00/607369500.db2.gz ILCMMCNXERPFMJ-UHFFFAOYSA-N -1 3 331.379 3.641 20 0 EHADHM CCCCCC[C@@H](C)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821049234 599404791 /nfs/dbraw/zinc/40/47/91/599404791.db2.gz JELVUVPPRKZEBL-ZIAGYGMSSA-N -1 3 344.463 3.586 20 0 EHADHM CCCCCC[C@@H](C)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821049234 599404793 /nfs/dbraw/zinc/40/47/93/599404793.db2.gz JELVUVPPRKZEBL-ZIAGYGMSSA-N -1 3 344.463 3.586 20 0 EHADHM C[C@@H](Cc1ccsc1)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736066555 599415818 /nfs/dbraw/zinc/41/58/18/599415818.db2.gz OKXCRDRUFGXOMH-NSHDSACASA-N -1 3 336.424 3.520 20 0 EHADHM C[C@@H](Cc1ccsc1)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736066555 599415820 /nfs/dbraw/zinc/41/58/20/599415820.db2.gz OKXCRDRUFGXOMH-NSHDSACASA-N -1 3 336.424 3.520 20 0 EHADHM Clc1ccc(-c2nnn[n-]2)c(N2CC[C@H](c3ccccc3)C2)c1 ZINC000737571086 599420770 /nfs/dbraw/zinc/42/07/70/599420770.db2.gz QYTWADCWDTZPBI-ZDUSSCGKSA-N -1 3 325.803 3.514 20 0 EHADHM Clc1ccc(-c2nn[n-]n2)c(N2CC[C@H](c3ccccc3)C2)c1 ZINC000737571086 599420772 /nfs/dbraw/zinc/42/07/72/599420772.db2.gz QYTWADCWDTZPBI-ZDUSSCGKSA-N -1 3 325.803 3.514 20 0 EHADHM CC(C)Sc1ccc([C@@H](C)NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000820184146 599428024 /nfs/dbraw/zinc/42/80/24/599428024.db2.gz UCMNCQWEXGGQSH-GFCCVEGCSA-N -1 3 343.456 3.811 20 0 EHADHM C[C@@H]1CN(c2c(Cl)cccc2-c2nnn[n-]2)Cc2ccccc21 ZINC000820768511 599464532 /nfs/dbraw/zinc/46/45/32/599464532.db2.gz NPRBAJRQIQJIDV-LLVKDONJSA-N -1 3 325.803 3.644 20 0 EHADHM C[C@@H]1CN(c2c(Cl)cccc2-c2nn[n-]n2)Cc2ccccc21 ZINC000820768511 599464534 /nfs/dbraw/zinc/46/45/34/599464534.db2.gz NPRBAJRQIQJIDV-LLVKDONJSA-N -1 3 325.803 3.644 20 0 EHADHM C[C@H](Nc1c(Cl)cccc1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000820450552 599464662 /nfs/dbraw/zinc/46/46/62/599464662.db2.gz MCCVFGPPFHUJDP-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@H](Nc1c(Cl)cccc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000820450552 599464665 /nfs/dbraw/zinc/46/46/65/599464665.db2.gz MCCVFGPPFHUJDP-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM Cc1nccc(Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000822472348 599491080 /nfs/dbraw/zinc/49/10/80/599491080.db2.gz QEEMQVCAKRUYTD-UHFFFAOYSA-N -1 3 345.366 3.501 20 0 EHADHM Cc1nccc(Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000822472348 599491083 /nfs/dbraw/zinc/49/10/83/599491083.db2.gz QEEMQVCAKRUYTD-UHFFFAOYSA-N -1 3 345.366 3.501 20 0 EHADHM C[C@H](Nc1c(Cl)cccc1-c1nnn[n-]1)c1nc2ccccc2[nH]1 ZINC000820450329 599494322 /nfs/dbraw/zinc/49/43/22/599494322.db2.gz JQSGWCAKQLSHHX-VIFPVBQESA-N -1 3 339.790 3.570 20 0 EHADHM C[C@H](Nc1c(Cl)cccc1-c1nn[n-]n1)c1nc2ccccc2[nH]1 ZINC000820450329 599494324 /nfs/dbraw/zinc/49/43/24/599494324.db2.gz JQSGWCAKQLSHHX-VIFPVBQESA-N -1 3 339.790 3.570 20 0 EHADHM CCC(=CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820833593 599519382 /nfs/dbraw/zinc/51/93/82/599519382.db2.gz ZKZTYNUTSOXSFS-SXWSKBOKSA-N -1 3 347.422 3.538 20 0 EHADHM CCC(=CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820833593 599519383 /nfs/dbraw/zinc/51/93/83/599519383.db2.gz ZKZTYNUTSOXSFS-SXWSKBOKSA-N -1 3 347.422 3.538 20 0 EHADHM CC[C@@H](CC1CCCC1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820903411 599526704 /nfs/dbraw/zinc/52/67/04/599526704.db2.gz UCRRQFYPCMMNFO-ZFWWWQNUSA-N -1 3 341.459 3.650 20 0 EHADHM CC[C@@H](CC1CCCC1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820903411 599526705 /nfs/dbraw/zinc/52/67/05/599526705.db2.gz UCRRQFYPCMMNFO-ZFWWWQNUSA-N -1 3 341.459 3.650 20 0 EHADHM CCc1ccc([C@H](C)CC(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000736686036 599540122 /nfs/dbraw/zinc/54/01/22/599540122.db2.gz ITRXXOWQMQVQOF-CYBMUJFWSA-N -1 3 335.411 3.561 20 0 EHADHM CCc1ccc([C@H](C)CC(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000736686036 599540124 /nfs/dbraw/zinc/54/01/24/599540124.db2.gz ITRXXOWQMQVQOF-CYBMUJFWSA-N -1 3 335.411 3.561 20 0 EHADHM CCc1ccc([C@@H](C)CC(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000736686038 599540372 /nfs/dbraw/zinc/54/03/72/599540372.db2.gz ITRXXOWQMQVQOF-ZDUSSCGKSA-N -1 3 335.411 3.561 20 0 EHADHM CCc1ccc([C@@H](C)CC(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000736686038 599540373 /nfs/dbraw/zinc/54/03/73/599540373.db2.gz ITRXXOWQMQVQOF-ZDUSSCGKSA-N -1 3 335.411 3.561 20 0 EHADHM Clc1cccc(-c2nnn[n-]2)c1N1CCCc2sccc2C1 ZINC000822581153 599545425 /nfs/dbraw/zinc/54/54/25/599545425.db2.gz CJSJCOXAYIXQKH-UHFFFAOYSA-N -1 3 331.832 3.534 20 0 EHADHM Clc1cccc(-c2nn[n-]n2)c1N1CCCc2sccc2C1 ZINC000822581153 599545427 /nfs/dbraw/zinc/54/54/27/599545427.db2.gz CJSJCOXAYIXQKH-UHFFFAOYSA-N -1 3 331.832 3.534 20 0 EHADHM Clc1cc(N2CC[C@H](Cc3ccccc3)C2)ccc1-c1nnn[n-]1 ZINC000822568640 599579711 /nfs/dbraw/zinc/57/97/11/599579711.db2.gz UUSFIUGDBQFORI-CQSZACIVSA-N -1 3 339.830 3.589 20 0 EHADHM Clc1cc(N2CC[C@H](Cc3ccccc3)C2)ccc1-c1nn[n-]n1 ZINC000822568640 599579712 /nfs/dbraw/zinc/57/97/12/599579712.db2.gz UUSFIUGDBQFORI-CQSZACIVSA-N -1 3 339.830 3.589 20 0 EHADHM Cc1ccc([C@@H]2CCCCN2c2cccc(F)c2-c2nnn[n-]2)o1 ZINC000822233698 599580029 /nfs/dbraw/zinc/58/00/29/599580029.db2.gz SZOPQUVIPYDWNL-ZDUSSCGKSA-N -1 3 327.363 3.639 20 0 EHADHM Cc1ccc([C@@H]2CCCCN2c2cccc(F)c2-c2nn[n-]n2)o1 ZINC000822233698 599580032 /nfs/dbraw/zinc/58/00/32/599580032.db2.gz SZOPQUVIPYDWNL-ZDUSSCGKSA-N -1 3 327.363 3.639 20 0 EHADHM CC(C)CN(Cc1ccc(Cl)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820092067 599636397 /nfs/dbraw/zinc/63/63/97/599636397.db2.gz GPAOLOSVBJMFNJ-UHFFFAOYSA-N -1 3 342.834 3.578 20 0 EHADHM O=C([O-])[C@H](NCc1cccc(F)c1)c1ccc(Br)cc1 ZINC000426796891 599788594 /nfs/dbraw/zinc/78/85/94/599788594.db2.gz DSEUGAQIRINZGA-CQSZACIVSA-N -1 3 338.176 3.504 20 0 EHADHM O=C([O-])c1sccc1NC(=O)CN[C@@H](c1ccccc1)C1CCC1 ZINC000739307202 599793383 /nfs/dbraw/zinc/79/33/83/599793383.db2.gz JIGIQRASXRLXKV-INIZCTEOSA-N -1 3 344.436 3.516 20 0 EHADHM O=C([O-])c1cccc(CN(Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000263498966 599996183 /nfs/dbraw/zinc/99/61/83/599996183.db2.gz UUBLUJHPWDYNHE-INIZCTEOSA-N -1 3 331.437 3.628 20 0 EHADHM COc1ccc([C@@H]2CCCN2Cc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000737985396 599996795 /nfs/dbraw/zinc/99/67/95/599996795.db2.gz GUENONYHPHFRIM-SFHVURJKSA-N -1 3 341.407 3.739 20 0 EHADHM O=C([O-])c1cc(F)ccc1CN1CCC(OCc2ccccc2)CC1 ZINC000383760734 600083029 /nfs/dbraw/zinc/08/30/29/600083029.db2.gz KXQYQRMMHMPKFV-UHFFFAOYSA-N -1 3 343.398 3.705 20 0 EHADHM COc1ccccc1[C@H]1CCCN1Cc1ccc(F)cc1C(=O)[O-] ZINC000563278159 600102068 /nfs/dbraw/zinc/10/20/68/600102068.db2.gz GPFGWVYABGLHAD-QGZVFWFLSA-N -1 3 329.371 3.870 20 0 EHADHM Cc1cc(C)n([C@@H]2CCCN([C@H](C(=O)[O-])c3cccc(Cl)c3)C2)n1 ZINC000738371793 600408435 /nfs/dbraw/zinc/40/84/35/600408435.db2.gz ZSQGKFZKJKACKD-SJORKVTESA-N -1 3 347.846 3.616 20 0 EHADHM Cc1sc(NC(=O)c2cc(Cl)ccc2C)c(-c2nn[n-]n2)c1C ZINC000826289137 607793079 /nfs/dbraw/zinc/79/30/79/607793079.db2.gz LTXQGHWVKGDWAQ-UHFFFAOYSA-N -1 3 347.831 3.759 20 0 EHADHM O=C([O-])[C@H](c1ccc(F)cc1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000572609695 600629800 /nfs/dbraw/zinc/62/98/00/600629800.db2.gz ZONGOXHVNOTJDI-SFHVURJKSA-N -1 3 347.361 3.634 20 0 EHADHM O=C([O-])[C@H](NCc1ccc(-c2cccnc2)cc1)c1ccc(F)cc1 ZINC000833166643 600761594 /nfs/dbraw/zinc/76/15/94/600761594.db2.gz SEHWPQITZHNVCU-LJQANCHMSA-N -1 3 336.366 3.803 20 0 EHADHM COc1ccc(CN2CCC[C@H](C(=O)[O-])C2)cc1SC(F)(F)F ZINC000164639715 600842513 /nfs/dbraw/zinc/84/25/13/600842513.db2.gz YGQTXVIYNSQGKA-NSHDSACASA-N -1 3 349.374 3.604 20 0 EHADHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCC2(C1)CCCCC2 ZINC000738517325 600976214 /nfs/dbraw/zinc/97/62/14/600976214.db2.gz CIBNGGWZPCNQEN-OAHLLOKOSA-N -1 3 344.455 3.676 20 0 EHADHM C[C@@](NCc1csc(-c2ccc(Cl)cc2)n1)(C(=O)[O-])C1CC1 ZINC000827741897 601032711 /nfs/dbraw/zinc/03/27/11/601032711.db2.gz WORYNNXZSLPCHZ-INIZCTEOSA-N -1 3 336.844 3.806 20 0 EHADHM CCCOc1cc(F)ccc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000821128481 607487161 /nfs/dbraw/zinc/48/71/61/607487161.db2.gz VDNAFQZVISNKCG-UHFFFAOYSA-N -1 3 345.353 3.546 20 0 EHADHM CCCOc1cc(F)ccc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000821128481 607487163 /nfs/dbraw/zinc/48/71/63/607487163.db2.gz VDNAFQZVISNKCG-UHFFFAOYSA-N -1 3 345.353 3.546 20 0 EHADHM Cc1sc(C(=O)[O-])cc1CN1CCC(N(C)c2ccccc2)CC1 ZINC000833033274 601623386 /nfs/dbraw/zinc/62/33/86/601623386.db2.gz YBNTYFIOPFJQCU-UHFFFAOYSA-N -1 3 344.480 3.856 20 0 EHADHM O=C([O-])c1sccc1CN1CCC(OCCc2ccccc2)CC1 ZINC000568889716 601810285 /nfs/dbraw/zinc/81/02/85/601810285.db2.gz BWZVGWDVNAPAAT-UHFFFAOYSA-N -1 3 345.464 3.670 20 0 EHADHM C[C@@H](CCC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824400988 607537274 /nfs/dbraw/zinc/53/72/74/607537274.db2.gz NJAMJINOIMGSAG-LBPRGKRZSA-N -1 3 339.374 3.528 20 0 EHADHM C[C@@H](CCC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824400988 607537276 /nfs/dbraw/zinc/53/72/76/607537276.db2.gz NJAMJINOIMGSAG-LBPRGKRZSA-N -1 3 339.374 3.528 20 0 EHADHM COc1cc(OC)cc([C@@H](N[C@@H](C)c2cc(C)cc(C)c2)C(=O)[O-])c1 ZINC000832049052 602171260 /nfs/dbraw/zinc/17/12/60/602171260.db2.gz DUAFAPYJORWWNA-IFXJQAMLSA-N -1 3 343.423 3.797 20 0 EHADHM C[C@@H](c1nc2ccccc2s1)N(C)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739064759 602701715 /nfs/dbraw/zinc/70/17/15/602701715.db2.gz RTYCXVCCHZTADM-QWHCGFSZSA-N -1 3 333.457 3.679 20 0 EHADHM O=C([O-])N[C@H](CNCc1cc2cc(F)ccc2o1)c1ccccc1 ZINC000832140078 603176405 /nfs/dbraw/zinc/17/64/05/603176405.db2.gz FXLSEYWUVKMUKG-MRXNPFEDSA-N -1 3 328.343 3.670 20 0 EHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N([C@H](C)c1ccccc1)C1CC1 ZINC000826243792 607675390 /nfs/dbraw/zinc/67/53/90/607675390.db2.gz WAJFKIDROZRAFL-CQSZACIVSA-N -1 3 347.422 3.541 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N([C@H](C)c1ccccc1)C1CC1 ZINC000826243792 607675393 /nfs/dbraw/zinc/67/53/93/607675393.db2.gz WAJFKIDROZRAFL-CQSZACIVSA-N -1 3 347.422 3.541 20 0 EHADHM Cc1ccc(-c2cc(CN3CCC[C@H]([C@H](C)NC(=O)[O-])C3)on2)cc1 ZINC000830148731 604234503 /nfs/dbraw/zinc/23/45/03/604234503.db2.gz HGDCTXYDOMZCHN-HOCLYGCPSA-N -1 3 343.427 3.518 20 0 EHADHM C[C@@H](NC[C@@H](NC(=O)[O-])c1ccccc1)c1ccc2ccccc2n1 ZINC000825483786 604379771 /nfs/dbraw/zinc/37/97/71/604379771.db2.gz AKNBUAGBGAPTQP-AUUYWEPGSA-N -1 3 335.407 3.894 20 0 EHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCCC[C@H]1CC(C)C ZINC000826245112 607694643 /nfs/dbraw/zinc/69/46/43/607694643.db2.gz OCVJCIMVKLQCRJ-INIZCTEOSA-N -1 3 341.459 3.606 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCCC[C@H]1CC(C)C ZINC000826245112 607694644 /nfs/dbraw/zinc/69/46/44/607694644.db2.gz OCVJCIMVKLQCRJ-INIZCTEOSA-N -1 3 341.459 3.606 20 0 EHADHM C[C@H](Oc1ccc(CN(C)Cc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC000833538758 604519214 /nfs/dbraw/zinc/51/92/14/604519214.db2.gz VIGWHUCYHYODAF-ZDUSSCGKSA-N -1 3 333.815 3.824 20 0 EHADHM C[C@@H](Oc1ccc(CN(C)[C@H](C)c2ccc(F)cc2)cc1)C(=O)[O-] ZINC000833538789 604523111 /nfs/dbraw/zinc/52/31/11/604523111.db2.gz VOWMITVKQIMQGA-ZIAGYGMSSA-N -1 3 331.387 3.871 20 0 EHADHM CC[C@@H](C)Oc1cc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)ccc1OC ZINC000833641408 604647224 /nfs/dbraw/zinc/64/72/24/604647224.db2.gz YBNBCHDMGOEPCJ-GDBMZVCRSA-N -1 3 347.455 3.559 20 0 EHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCC[C@H]1CCC(C)C ZINC000826245442 607707012 /nfs/dbraw/zinc/70/70/12/607707012.db2.gz YEWYDRFYMDKWMJ-INIZCTEOSA-N -1 3 341.459 3.606 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCC[C@H]1CCC(C)C ZINC000826245442 607707013 /nfs/dbraw/zinc/70/70/13/607707013.db2.gz YEWYDRFYMDKWMJ-INIZCTEOSA-N -1 3 341.459 3.606 20 0 EHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2ccc(Br)cc2)C1 ZINC000128467624 604936445 /nfs/dbraw/zinc/93/64/45/604936445.db2.gz DQEFVXLSWHUFTP-CYBMUJFWSA-N -1 3 340.261 3.772 20 0 EHADHM CCOc1ccc(C(C)=O)cc1CN1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000326936438 604951708 /nfs/dbraw/zinc/95/17/08/604951708.db2.gz UUMBHMHJLBONFX-QGZVFWFLSA-N -1 3 347.455 3.611 20 0 EHADHM CCOc1ccc(C(C)=O)cc1CN1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000326936436 604951859 /nfs/dbraw/zinc/95/18/59/604951859.db2.gz UUMBHMHJLBONFX-KRWDZBQOSA-N -1 3 347.455 3.611 20 0 EHADHM CC(C)CCOc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2cccnc2)cc1 ZINC000826860923 604999031 /nfs/dbraw/zinc/99/90/31/604999031.db2.gz JWPCXLAPNUEJKB-DNVCBOLYSA-N -1 3 342.439 3.983 20 0 EHADHM COc1ccc([C@@H]2CCCCCN2Cc2ccc(C(=O)[O-])[nH]2)cc1 ZINC000833731819 605105406 /nfs/dbraw/zinc/10/54/06/605105406.db2.gz CZIWAHUYEVTOMO-SFHVURJKSA-N -1 3 328.412 3.839 20 0 EHADHM CC(C)c1csc([C@H]2CCCN(Cc3ccc(C(=O)[O-])[nH]3)C2)n1 ZINC000833511392 605109426 /nfs/dbraw/zinc/10/94/26/605109426.db2.gz PNGDXIHHJHZWEA-LBPRGKRZSA-N -1 3 333.457 3.672 20 0 EHADHM O=C([O-])N[C@@H]1C[C@H](NCc2cccc3cccnc32)c2ccccc21 ZINC000834159602 605798097 /nfs/dbraw/zinc/79/80/97/605798097.db2.gz VKLIOCVFVYHEFY-ZWKOTPCHSA-N -1 3 333.391 3.778 20 0 EHADHM C[C@@H]1CN(c2nc3ccccc3cc2-c2nnn[n-]2)Cc2ccccc21 ZINC000820774341 606025377 /nfs/dbraw/zinc/02/53/77/606025377.db2.gz AZWZGZGIOIWOTH-CYBMUJFWSA-N -1 3 342.406 3.539 20 0 EHADHM C[C@@H]1CN(c2nc3ccccc3cc2-c2nn[n-]n2)Cc2ccccc21 ZINC000820774341 606025380 /nfs/dbraw/zinc/02/53/80/606025380.db2.gz AZWZGZGIOIWOTH-CYBMUJFWSA-N -1 3 342.406 3.539 20 0 EHADHM C[C@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ncc(C(C)(C)C)o1 ZINC000820413607 606173167 /nfs/dbraw/zinc/17/31/67/606173167.db2.gz SLUKPOHNLBUDSD-RYUDHWBXSA-N -1 3 340.431 3.564 20 0 EHADHM C[C@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ncc(C(C)(C)C)o1 ZINC000820413607 606173168 /nfs/dbraw/zinc/17/31/68/606173168.db2.gz SLUKPOHNLBUDSD-RYUDHWBXSA-N -1 3 340.431 3.564 20 0 EHADHM C[C@H](OC(=O)[C@@H]1CCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000820486939 606348606 /nfs/dbraw/zinc/34/86/06/606348606.db2.gz DOHVMUZDFJRJJI-SCLBCKFNSA-N -1 3 348.406 3.591 20 0 EHADHM C[C@H](OC(=O)[C@@H]1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000820486939 606348608 /nfs/dbraw/zinc/34/86/08/606348608.db2.gz DOHVMUZDFJRJJI-SCLBCKFNSA-N -1 3 348.406 3.591 20 0 EHADHM Cc1cc([C@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)ccc1F ZINC000822190845 606431307 /nfs/dbraw/zinc/43/13/07/606431307.db2.gz CENZBZJHIFKNMY-VIFPVBQESA-N -1 3 332.770 3.536 20 0 EHADHM Cc1cc([C@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)ccc1F ZINC000822190845 606431308 /nfs/dbraw/zinc/43/13/08/606431308.db2.gz CENZBZJHIFKNMY-VIFPVBQESA-N -1 3 332.770 3.536 20 0 EHADHM C[C@@H]1c2ccsc2CCN1c1c(Cl)cccc1-c1nnn[n-]1 ZINC000820827358 606442693 /nfs/dbraw/zinc/44/26/93/606442693.db2.gz RXENZBMRRZPOOR-SECBINFHSA-N -1 3 331.832 3.705 20 0 EHADHM C[C@@H]1c2ccsc2CCN1c1c(Cl)cccc1-c1nn[n-]n1 ZINC000820827358 606442694 /nfs/dbraw/zinc/44/26/94/606442694.db2.gz RXENZBMRRZPOOR-SECBINFHSA-N -1 3 331.832 3.705 20 0 EHADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000822737434 606447211 /nfs/dbraw/zinc/44/72/11/606447211.db2.gz VKNIZSZLIARKCV-IUCAKERBSA-N -1 3 347.291 3.678 20 0 EHADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000822737434 606447209 /nfs/dbraw/zinc/44/72/09/606447209.db2.gz VKNIZSZLIARKCV-IUCAKERBSA-N -1 3 347.291 3.678 20 0 EHADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSC1CCCC1 ZINC000822732991 606589585 /nfs/dbraw/zinc/58/95/85/606589585.db2.gz PYPLCUQXKJOPLL-UHFFFAOYSA-N -1 3 326.372 3.644 20 0 EHADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSC1CCCC1 ZINC000822732991 606589587 /nfs/dbraw/zinc/58/95/87/606589587.db2.gz PYPLCUQXKJOPLL-UHFFFAOYSA-N -1 3 326.372 3.644 20 0 EHADHM CCN(C(=O)/C=C1/CC[C@H](C)C1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149152 606619306 /nfs/dbraw/zinc/61/93/06/606619306.db2.gz STSGSWDJIWEPQT-MXLZUBLTSA-N -1 3 339.443 3.523 20 0 EHADHM CCN(C(=O)/C=C1/CC[C@H](C)C1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149152 606619308 /nfs/dbraw/zinc/61/93/08/606619308.db2.gz STSGSWDJIWEPQT-MXLZUBLTSA-N -1 3 339.443 3.523 20 0 EHADHM CC(C)c1cnc(CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820198479 606636999 /nfs/dbraw/zinc/63/69/99/606636999.db2.gz XITVPEPGOXGWPG-NSHDSACASA-N -1 3 329.429 3.973 20 0 EHADHM CC(C)c1cnc(CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820198479 606637000 /nfs/dbraw/zinc/63/70/00/606637000.db2.gz XITVPEPGOXGWPG-NSHDSACASA-N -1 3 329.429 3.973 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CC(C)C)C1CCCC1 ZINC000822217372 606657356 /nfs/dbraw/zinc/65/73/56/606657356.db2.gz CFQVOVXLWNYDOW-UHFFFAOYSA-N -1 3 342.447 3.608 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CC(C)C)C1CCCC1 ZINC000822217372 606657357 /nfs/dbraw/zinc/65/73/57/606657357.db2.gz CFQVOVXLWNYDOW-UHFFFAOYSA-N -1 3 342.447 3.608 20 0 EHADHM CC(C)CC1(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC000820063637 606666780 /nfs/dbraw/zinc/66/67/80/606666780.db2.gz XTJMZSNFCROMKG-CQSZACIVSA-N -1 3 341.459 3.650 20 0 EHADHM CC(C)CC1(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000820063637 606666781 /nfs/dbraw/zinc/66/67/81/606666781.db2.gz XTJMZSNFCROMKG-CQSZACIVSA-N -1 3 341.459 3.650 20 0 EHADHM Fc1cccc([C@H](Nc2ncccc2-c2nnn[n-]2)c2ccccc2)c1 ZINC000822787327 606733859 /nfs/dbraw/zinc/73/38/59/606733859.db2.gz YKVOYLUHDKYADB-QGZVFWFLSA-N -1 3 346.369 3.602 20 0 EHADHM Fc1cccc([C@H](Nc2ncccc2-c2nn[n-]n2)c2ccccc2)c1 ZINC000822787327 606733860 /nfs/dbraw/zinc/73/38/60/606733860.db2.gz YKVOYLUHDKYADB-QGZVFWFLSA-N -1 3 346.369 3.602 20 0 EHADHM Clc1ccc(-c2nnn[n-]2)c(OCc2cccc3cccnc32)c1 ZINC000822568278 606779199 /nfs/dbraw/zinc/77/91/99/606779199.db2.gz OTCCHZKEFIIJEQ-UHFFFAOYSA-N -1 3 337.770 3.647 20 0 EHADHM Clc1ccc(-c2nn[n-]n2)c(OCc2cccc3cccnc32)c1 ZINC000822568278 606779202 /nfs/dbraw/zinc/77/92/02/606779202.db2.gz OTCCHZKEFIIJEQ-UHFFFAOYSA-N -1 3 337.770 3.647 20 0 EHADHM CC(C)(C)c1cnc(SCc2cc(F)ccc2-c2nnn[n-]2)o1 ZINC000819965611 606786335 /nfs/dbraw/zinc/78/63/35/606786335.db2.gz JSLJDSHUSKFGQU-UHFFFAOYSA-N -1 3 333.392 3.584 20 0 EHADHM CC(C)(C)c1cnc(SCc2cc(F)ccc2-c2nn[n-]n2)o1 ZINC000819965611 606786337 /nfs/dbraw/zinc/78/63/37/606786337.db2.gz JSLJDSHUSKFGQU-UHFFFAOYSA-N -1 3 333.392 3.584 20 0 EHADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)c1ccccc1 ZINC000820548930 606852924 /nfs/dbraw/zinc/85/29/24/606852924.db2.gz IQRSHXFWDQKQEB-SNVBAGLBSA-N -1 3 344.827 3.884 20 0 EHADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)c1ccccc1 ZINC000820548930 606852925 /nfs/dbraw/zinc/85/29/25/606852925.db2.gz IQRSHXFWDQKQEB-SNVBAGLBSA-N -1 3 344.827 3.884 20 0 EHADHM Cc1ccc(C(=O)CSc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822225016 606902667 /nfs/dbraw/zinc/90/26/67/606902667.db2.gz JTNGGFPGJQBYSO-UHFFFAOYSA-N -1 3 344.827 3.804 20 0 EHADHM Cc1ccc(C(=O)CSc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822225016 606902669 /nfs/dbraw/zinc/90/26/69/606902669.db2.gz JTNGGFPGJQBYSO-UHFFFAOYSA-N -1 3 344.827 3.804 20 0 EHADHM Fc1ccc(CNc2ccc(C(F)(F)F)cc2)cc1-c1nnn[n-]1 ZINC000822772453 606926426 /nfs/dbraw/zinc/92/64/26/606926426.db2.gz ZNRQYQYQARZIMB-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Fc1ccc(CNc2ccc(C(F)(F)F)cc2)cc1-c1nn[n-]n1 ZINC000822772453 606926428 /nfs/dbraw/zinc/92/64/28/606926428.db2.gz ZNRQYQYQARZIMB-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM CC(C)(C)[C@@H](Nc1ncccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000819899142 606948678 /nfs/dbraw/zinc/94/86/78/606948678.db2.gz OARAQBDVSCNRLR-AWEZNQCLSA-N -1 3 344.369 3.739 20 0 EHADHM CC(C)(C)[C@@H](Nc1ncccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000819899142 606948679 /nfs/dbraw/zinc/94/86/79/606948679.db2.gz OARAQBDVSCNRLR-AWEZNQCLSA-N -1 3 344.369 3.739 20 0 EHADHM c1ccc2c(c1)OC1(CCCC1)C[C@@H]2Nc1ccc(-c2nnn[n-]2)nc1 ZINC000823802236 607034397 /nfs/dbraw/zinc/03/43/97/607034397.db2.gz KIIGYVGICKQPSQ-INIZCTEOSA-N -1 3 348.410 3.510 20 0 EHADHM c1ccc2c(c1)OC1(CCCC1)C[C@@H]2Nc1ccc(-c2nn[n-]n2)nc1 ZINC000823802236 607034399 /nfs/dbraw/zinc/03/43/99/607034399.db2.gz KIIGYVGICKQPSQ-INIZCTEOSA-N -1 3 348.410 3.510 20 0 EHADHM COc1cccc2c1CC[C@H]2Nc1c(Cl)cccc1-c1nnn[n-]1 ZINC000821877165 607119168 /nfs/dbraw/zinc/11/91/68/607119168.db2.gz DDQBTHOIUUNBBJ-CQSZACIVSA-N -1 3 341.802 3.628 20 0 EHADHM COc1cccc2c1CC[C@H]2Nc1c(Cl)cccc1-c1nn[n-]n1 ZINC000821877165 607119170 /nfs/dbraw/zinc/11/91/70/607119170.db2.gz DDQBTHOIUUNBBJ-CQSZACIVSA-N -1 3 341.802 3.628 20 0 EHADHM Fc1cc(-c2nnn[n-]2)ccc1OCc1ccc(C(F)(F)F)cc1 ZINC000822748248 607135435 /nfs/dbraw/zinc/13/54/35/607135435.db2.gz OZQYZNPKNXHFOV-UHFFFAOYSA-N -1 3 338.264 3.604 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1OCc1ccc(C(F)(F)F)cc1 ZINC000822748248 607135437 /nfs/dbraw/zinc/13/54/37/607135437.db2.gz OZQYZNPKNXHFOV-UHFFFAOYSA-N -1 3 338.264 3.604 20 0 EHADHM C[C@H]1CCC[C@@H](CC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820699158 607189765 /nfs/dbraw/zinc/18/97/65/607189765.db2.gz XVTBQKKEVHVOIW-WDEREUQCSA-N -1 3 333.823 3.675 20 0 EHADHM C[C@H]1CCC[C@@H](CC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820699158 607189766 /nfs/dbraw/zinc/18/97/66/607189766.db2.gz XVTBQKKEVHVOIW-WDEREUQCSA-N -1 3 333.823 3.675 20 0 EHADHM Cc1cc(C)cc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822196618 607204602 /nfs/dbraw/zinc/20/46/02/607204602.db2.gz QGMPULALIKZPHS-UHFFFAOYSA-N -1 3 342.790 3.781 20 0 EHADHM Cc1cc(C)cc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822196618 607204603 /nfs/dbraw/zinc/20/46/03/607204603.db2.gz QGMPULALIKZPHS-UHFFFAOYSA-N -1 3 342.790 3.781 20 0 EHADHM Cc1sc(NC(=O)c2cc(Cl)ccc2C)c(-c2nnn[n-]2)c1C ZINC000826289137 607793078 /nfs/dbraw/zinc/79/30/78/607793078.db2.gz LTXQGHWVKGDWAQ-UHFFFAOYSA-N -1 3 347.831 3.759 20 0 EHADHM Cc1ccccc1[C@@H](C)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826305523 607839598 /nfs/dbraw/zinc/83/95/98/607839598.db2.gz AAFRYKAVYRZQEO-CYBMUJFWSA-N -1 3 330.395 3.896 20 0 EHADHM Cc1ccccc1[C@@H](C)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826305523 607839599 /nfs/dbraw/zinc/83/95/99/607839599.db2.gz AAFRYKAVYRZQEO-CYBMUJFWSA-N -1 3 330.395 3.896 20 0 EHADHM Brc1ccccc1SCc1ccccc1-c1nnn[n-]1 ZINC000823831934 607916398 /nfs/dbraw/zinc/91/63/98/607916398.db2.gz GOGHBBQDVINLLA-UHFFFAOYSA-N -1 3 347.241 3.922 20 0 EHADHM Brc1ccccc1SCc1ccccc1-c1nn[n-]n1 ZINC000823831934 607916399 /nfs/dbraw/zinc/91/63/99/607916399.db2.gz GOGHBBQDVINLLA-UHFFFAOYSA-N -1 3 347.241 3.922 20 0 EHADHM O=Cc1cc(Cl)c(OCc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000826484230 607973886 /nfs/dbraw/zinc/97/38/86/607973886.db2.gz SZMUJSQCNOXYSA-UHFFFAOYSA-N -1 3 349.177 3.565 20 0 EHADHM O=Cc1cc(Cl)c(OCc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000826484230 607973887 /nfs/dbraw/zinc/97/38/87/607973887.db2.gz SZMUJSQCNOXYSA-UHFFFAOYSA-N -1 3 349.177 3.565 20 0 EHADHM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000823944194 607999864 /nfs/dbraw/zinc/99/98/64/607999864.db2.gz ZTHGXNLCWNETHX-ZHACJKMWSA-N -1 3 339.786 3.562 20 0 EHADHM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000823944194 607999865 /nfs/dbraw/zinc/99/98/65/607999865.db2.gz ZTHGXNLCWNETHX-ZHACJKMWSA-N -1 3 339.786 3.562 20 0 EHADHM Fc1cccc([C@@H](Nc2ccc(-c3nn[n-]n3)cc2)c2ccccn2)c1 ZINC000826376935 608234322 /nfs/dbraw/zinc/23/43/22/608234322.db2.gz YNIMXTHKPTVSSY-GOSISDBHSA-N -1 3 346.369 3.602 20 0 EHADHM Cc1ccc([C@@H](C)Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)s1 ZINC000826282871 608277593 /nfs/dbraw/zinc/27/75/93/608277593.db2.gz DTNSEVPMWLOAJF-LLVKDONJSA-N -1 3 340.456 3.684 20 0 EHADHM Cc1ccc([C@@H](C)Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)s1 ZINC000826282871 608277594 /nfs/dbraw/zinc/27/75/94/608277594.db2.gz DTNSEVPMWLOAJF-LLVKDONJSA-N -1 3 340.456 3.684 20 0 EHADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(F)c1F ZINC000824649854 608304650 /nfs/dbraw/zinc/30/46/50/608304650.db2.gz NNCCEBLNCJPRIT-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(F)c1F ZINC000824649854 608304651 /nfs/dbraw/zinc/30/46/51/608304651.db2.gz NNCCEBLNCJPRIT-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM CCN(C(=O)CC1CCCCC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825366667 608344306 /nfs/dbraw/zinc/34/43/06/608344306.db2.gz DIANEZQDHOSHPM-UHFFFAOYSA-N -1 3 347.850 3.843 20 0 EHADHM CCN(C(=O)CC1CCCCC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825366667 608344308 /nfs/dbraw/zinc/34/43/08/608344308.db2.gz DIANEZQDHOSHPM-UHFFFAOYSA-N -1 3 347.850 3.843 20 0 EHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(CC(C)(C)C)CC(C)(C)C ZINC000826243702 608470773 /nfs/dbraw/zinc/47/07/73/608470773.db2.gz RUVUTFFJQGQMNT-UHFFFAOYSA-N -1 3 343.475 3.710 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(CC(C)(C)C)CC(C)(C)C ZINC000826243702 608470774 /nfs/dbraw/zinc/47/07/74/608470774.db2.gz RUVUTFFJQGQMNT-UHFFFAOYSA-N -1 3 343.475 3.710 20 0 EHADHM Fc1c(CSc2ccc3ccccc3n2)cccc1-c1nnn[n-]1 ZINC000826371095 608669482 /nfs/dbraw/zinc/66/94/82/608669482.db2.gz SHUAOEGHWPYFCT-UHFFFAOYSA-N -1 3 337.383 3.846 20 0 EHADHM Fc1c(CSc2ccc3ccccc3n2)cccc1-c1nn[n-]n1 ZINC000826371095 608669483 /nfs/dbraw/zinc/66/94/83/608669483.db2.gz SHUAOEGHWPYFCT-UHFFFAOYSA-N -1 3 337.383 3.846 20 0 EHADHM Clc1ccc(CNc2cccc(-c3nnn[n-]3)c2)c2ncccc12 ZINC000378964019 608867540 /nfs/dbraw/zinc/86/75/40/608867540.db2.gz SIOZRPTWPHWOFW-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM Clc1ccc(CNc2cccc(-c3nn[n-]n3)c2)c2ncccc12 ZINC000378964019 608867541 /nfs/dbraw/zinc/86/75/41/608867541.db2.gz SIOZRPTWPHWOFW-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM Fc1ccc(C=C(Cl)c2nc3ccccc3o2)cc1-c1nnn[n-]1 ZINC000826374123 608876902 /nfs/dbraw/zinc/87/69/02/608876902.db2.gz LWUMRMQAGFMJCY-FLIBITNWSA-N -1 3 341.733 3.884 20 0 EHADHM Fc1ccc(C=C(Cl)c2nc3ccccc3o2)cc1-c1nn[n-]n1 ZINC000826374123 608876904 /nfs/dbraw/zinc/87/69/04/608876904.db2.gz LWUMRMQAGFMJCY-FLIBITNWSA-N -1 3 341.733 3.884 20 0 EHADHM c1cc2c(cc1N[C@H]1CCCc3cc(-c4nnn[n-]4)ccc31)CCCO2 ZINC000826518512 609278791 /nfs/dbraw/zinc/27/87/91/609278791.db2.gz PXPLVRKPZOCCFV-SFHVURJKSA-N -1 3 347.422 3.681 20 0 EHADHM c1cc2c(cc1N[C@H]1CCCc3cc(-c4nn[n-]n4)ccc31)CCCO2 ZINC000826518512 609278793 /nfs/dbraw/zinc/27/87/93/609278793.db2.gz PXPLVRKPZOCCFV-SFHVURJKSA-N -1 3 347.422 3.681 20 0 EHADHM CC[C@H](C)[C@H](C)N(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C1CC1 ZINC000825059085 609299630 /nfs/dbraw/zinc/29/96/30/609299630.db2.gz CQPLDQFGCKMCKP-QWRGUYRKSA-N -1 3 347.850 3.559 20 0 EHADHM CC[C@H](C)[C@H](C)N(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C1CC1 ZINC000825059085 609299632 /nfs/dbraw/zinc/29/96/32/609299632.db2.gz CQPLDQFGCKMCKP-QWRGUYRKSA-N -1 3 347.850 3.559 20 0 EHADHM CCC[C@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F)c1ccccn1 ZINC000825242563 609333744 /nfs/dbraw/zinc/33/37/44/609333744.db2.gz VBAKUGRAUNZFNA-SJCJKPOMSA-N -1 3 340.406 3.593 20 0 EHADHM CC[C@H](C)[C@H](C)C(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825049310 609522953 /nfs/dbraw/zinc/52/29/53/609522953.db2.gz AKTURMMHQVNCIM-KBPBESRZSA-N -1 3 329.448 3.538 20 0 EHADHM CC[C@H](C)[C@H](C)C(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825049310 609522954 /nfs/dbraw/zinc/52/29/54/609522954.db2.gz AKTURMMHQVNCIM-KBPBESRZSA-N -1 3 329.448 3.538 20 0 EHADHM CC(C)Cc1cccc([C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000509180809 944633498 /nfs/dbraw/zinc/63/34/98/944633498.db2.gz DIHTWSPOUJQDDG-AWEZNQCLSA-N -1 3 349.438 3.807 20 0 EHADHM CC(C)Cc1cccc([C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000509180809 944633506 /nfs/dbraw/zinc/63/35/06/944633506.db2.gz DIHTWSPOUJQDDG-AWEZNQCLSA-N -1 3 349.438 3.807 20 0 EHADHM FC(F)(F)CCc1cccc(Nc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000822718156 946163699 /nfs/dbraw/zinc/16/36/99/946163699.db2.gz AKRAQQPOJJSSBI-UHFFFAOYSA-N -1 3 334.305 3.500 20 0 EHADHM FC(F)(F)CCc1cccc(Nc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000822718156 946163708 /nfs/dbraw/zinc/16/37/08/946163708.db2.gz AKRAQQPOJJSSBI-UHFFFAOYSA-N -1 3 334.305 3.500 20 0 EHADHM CC(=O)c1cccc(CSc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC001573555280 946910059 /nfs/dbraw/zinc/91/00/59/946910059.db2.gz JFJFOAJDZQPNLS-UHFFFAOYSA-N -1 3 328.372 3.501 20 0 EHADHM CC(=O)c1cccc(CSc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC001573555280 946910065 /nfs/dbraw/zinc/91/00/65/946910065.db2.gz JFJFOAJDZQPNLS-UHFFFAOYSA-N -1 3 328.372 3.501 20 0 EHADHM CCC(CC)c1cc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)on1 ZINC000825114192 947082389 /nfs/dbraw/zinc/08/23/89/947082389.db2.gz KWADSVCXLIJHIP-LBPRGKRZSA-N -1 3 340.431 3.609 20 0 EHADHM CCCCC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825260409 947133209 /nfs/dbraw/zinc/13/32/09/947133209.db2.gz PAXHRCPXJZLSMU-AWEZNQCLSA-N -1 3 349.438 3.901 20 0 EHADHM CCCCC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825260409 947133214 /nfs/dbraw/zinc/13/32/14/947133214.db2.gz PAXHRCPXJZLSMU-AWEZNQCLSA-N -1 3 349.438 3.901 20 0 EHADHM CCCCCCN[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000825271600 947140319 /nfs/dbraw/zinc/14/03/19/947140319.db2.gz LIBSVJWATIWUNS-ZDUSSCGKSA-N -1 3 327.354 3.640 20 0 EHADHM CCCCCCN[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000825271600 947140320 /nfs/dbraw/zinc/14/03/20/947140320.db2.gz LIBSVJWATIWUNS-ZDUSSCGKSA-N -1 3 327.354 3.640 20 0 EHADHM Cc1ccc(CN[C@@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)cc1 ZINC000826288705 947840368 /nfs/dbraw/zinc/84/03/68/947840368.db2.gz SNAOHPZCCFMQNB-HNNXBMFYSA-N -1 3 347.344 3.568 20 0 EHADHM Cc1ccc(CN[C@@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)cc1 ZINC000826288705 947840376 /nfs/dbraw/zinc/84/03/76/947840376.db2.gz SNAOHPZCCFMQNB-HNNXBMFYSA-N -1 3 347.344 3.568 20 0 EHADHM FC(F)(F)c1cc(SCc2ccccn2)ccc1-c1nnn[n-]1 ZINC000826368142 948148313 /nfs/dbraw/zinc/14/83/13/948148313.db2.gz DCCYZWUSUGOUFZ-UHFFFAOYSA-N -1 3 337.330 3.573 20 0 EHADHM FC(F)(F)c1cc(SCc2ccccn2)ccc1-c1nn[n-]n1 ZINC000826368142 948148318 /nfs/dbraw/zinc/14/83/18/948148318.db2.gz DCCYZWUSUGOUFZ-UHFFFAOYSA-N -1 3 337.330 3.573 20 0 EHADHM CC(C)CC(CC(C)C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001525059416 948537143 /nfs/dbraw/zinc/53/71/43/948537143.db2.gz FGXZOCFQEGGWOY-UHFFFAOYSA-N -1 3 333.411 3.653 20 0 EHADHM CC(C)CC(CC(C)C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001525059416 948537146 /nfs/dbraw/zinc/53/71/46/948537146.db2.gz FGXZOCFQEGGWOY-UHFFFAOYSA-N -1 3 333.411 3.653 20 0 EHADHM CC(C)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001574416825 948763421 /nfs/dbraw/zinc/76/34/21/948763421.db2.gz JPWOCQNEDNWVPW-ZWKOTPCHSA-N -1 3 347.422 3.732 20 0 EHADHM CC(C)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001574416825 948763434 /nfs/dbraw/zinc/76/34/34/948763434.db2.gz JPWOCQNEDNWVPW-ZWKOTPCHSA-N -1 3 347.422 3.732 20 0 EHADHM CC(C)(C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C1CCCCC1 ZINC001573788239 949197098 /nfs/dbraw/zinc/19/70/98/949197098.db2.gz JCRCWFZCRBVKGD-UHFFFAOYSA-N -1 3 331.395 3.551 20 0 EHADHM CC(C)(C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C1CCCCC1 ZINC001573788239 949197110 /nfs/dbraw/zinc/19/71/10/949197110.db2.gz JCRCWFZCRBVKGD-UHFFFAOYSA-N -1 3 331.395 3.551 20 0 EHADHM C[C@H](CC(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1)CC(C)(C)C ZINC001574472489 949552155 /nfs/dbraw/zinc/55/21/55/949552155.db2.gz VMBUMQSEOBPBSO-KGLIPLIRSA-N -1 3 343.475 3.849 20 0 EHADHM C[C@H](CC(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1)CC(C)(C)C ZINC001574472489 949552177 /nfs/dbraw/zinc/55/21/77/949552177.db2.gz VMBUMQSEOBPBSO-KGLIPLIRSA-N -1 3 343.475 3.849 20 0 EHADHM CC(C)(C)[C@H]1CCCN(c2ncc(-c3nnn[n-]3)c3ccsc32)C1 ZINC001573828302 949937953 /nfs/dbraw/zinc/93/79/53/949937953.db2.gz QHMBKLPNUQWHQT-NSHDSACASA-N -1 3 342.472 3.739 20 0 EHADHM CC(C)(C)[C@H]1CCCN(c2ncc(-c3nn[n-]n3)c3ccsc32)C1 ZINC001573828302 949937974 /nfs/dbraw/zinc/93/79/74/949937974.db2.gz QHMBKLPNUQWHQT-NSHDSACASA-N -1 3 342.472 3.739 20 0 EHADHM Cc1cc(Br)c(CN2C[C@H](C(=O)[O-])CC[C@@H]2C)s1 ZINC000263116327 950272811 /nfs/dbraw/zinc/27/28/11/950272811.db2.gz ZTOUJLOWQIDIBQ-WCBMZHEXSA-N -1 3 332.263 3.504 20 0 EHADHM CC(C)CCCCCC(=O)N1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001574195065 950968589 /nfs/dbraw/zinc/96/85/89/950968589.db2.gz HQZHNOXPBDTRBE-UHFFFAOYSA-N -1 3 341.459 3.752 20 0 EHADHM CC(C)CCCCCC(=O)N1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001574195065 950968609 /nfs/dbraw/zinc/96/86/09/950968609.db2.gz HQZHNOXPBDTRBE-UHFFFAOYSA-N -1 3 341.459 3.752 20 0 EHADHM C[C@H](COCc1ccccc1)CSc1cccc(-c2nnn[n-]2)c1 ZINC001575176023 952390240 /nfs/dbraw/zinc/39/02/40/952390240.db2.gz GCVSAIKTXNNMSQ-CQSZACIVSA-N -1 3 340.452 3.812 20 0 EHADHM C[C@H](COCc1ccccc1)CSc1cccc(-c2nn[n-]n2)c1 ZINC001575176023 952390246 /nfs/dbraw/zinc/39/02/46/952390246.db2.gz GCVSAIKTXNNMSQ-CQSZACIVSA-N -1 3 340.452 3.812 20 0 EHADHM O=C([O-])c1cccc(CNCc2ccc(Br)c(F)c2)c1 ZINC000426692601 953492851 /nfs/dbraw/zinc/49/28/51/953492851.db2.gz UDCBKXUBCDVKTG-UHFFFAOYSA-N -1 3 338.176 3.576 20 0 EHADHM C[C@H](c1ccccc1Br)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000564968554 953607949 /nfs/dbraw/zinc/60/79/49/953607949.db2.gz XWSSMWYHMJQXJM-NQBHXWOUSA-N -1 3 326.234 3.553 20 0 EHADHM C[C@@H](c1ccc(Br)cc1)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000086782725 957986621 /nfs/dbraw/zinc/98/66/21/957986621.db2.gz QTRNPFNZDMGSFC-XHDPSFHLSA-N -1 3 326.234 3.697 20 0 EHADHM Cc1nn(-c2ccccc2)cc1CN[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001594477256 959610239 /nfs/dbraw/zinc/61/02/39/959610239.db2.gz FFWGZRCUUJLZHA-WOJBJXKFSA-N -1 3 347.418 3.584 20 0 EHADHM CC[C@@H](C)N(CC(=O)[O-])Cc1c(C)nn(Cc2ccccc2)c1Cl ZINC000236857651 960778089 /nfs/dbraw/zinc/77/80/89/960778089.db2.gz CTCXJOQGIBQFPZ-CYBMUJFWSA-N -1 3 349.862 3.578 20 0 EHADHM Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000153357297 1125475857 /nfs/dbraw/zinc/47/58/57/1125475857.db2.gz KQWRPPSWAOLGFJ-MRVPVSSYSA-N -1 3 341.333 3.883 20 0 EHADHM Cc1ccc(Br)cc1CN1CCC(CCC(=O)[O-])CC1 ZINC000313604006 963669950 /nfs/dbraw/zinc/66/99/50/963669950.db2.gz ASALAVSXAQJRNP-UHFFFAOYSA-N -1 3 340.261 3.834 20 0 EHADHM C[C@@H](c1ccc(Br)cc1)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000311385537 967950370 /nfs/dbraw/zinc/95/03/70/967950370.db2.gz OUENLLMFBUJWOD-SUNKGSAMSA-N -1 3 326.234 3.553 20 0 EHADHM O=C([O-])c1cccc(CNCc2cccc(OCC(F)(F)F)c2)c1 ZINC000426700423 968370686 /nfs/dbraw/zinc/37/06/86/968370686.db2.gz QURLXICUSRYMIW-UHFFFAOYSA-N -1 3 339.313 3.616 20 0 EHADHM CCOc1cc(CN[C@H](C(=O)[O-])c2cccc(C)c2)cc(Cl)c1O ZINC000904265299 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CCOC[C@H]1CCCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000572728279 974752620 /nfs/dbraw/zinc/75/26/20/974752620.db2.gz IBTYHEFNYDSPLL-NHYWBVRUSA-N -1 3 346.254 3.868 20 0 EHADHM O=C([O-])c1cnoc1CN1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000573927523 974773384 /nfs/dbraw/zinc/77/33/84/974773384.db2.gz OKTXTGHEOBABRP-BLIJAFNYSA-N -1 3 326.396 3.831 20 0 EHADHM O=C([O-])c1occc1CN1CCC(Cc2c(F)cccc2F)CC1 ZINC000578144656 974849500 /nfs/dbraw/zinc/84/95/00/974849500.db2.gz ZTJGPYMLUBMCOW-UHFFFAOYSA-N -1 3 335.350 3.711 20 0 EHADHM Cc1ccccc1OCCCN1CCc2ccc(C(=O)[O-])cc2C1 ZINC000580574938 974896950 /nfs/dbraw/zinc/89/69/50/974896950.db2.gz RIILHBJFOBGGQA-UHFFFAOYSA-N -1 3 325.408 3.520 20 0 EHADHM Cc1cc([C@@H](C)N2CC[C@H](Oc3cccc(F)c3)C2)oc1C(=O)[O-] ZINC000634697418 975274666 /nfs/dbraw/zinc/27/46/66/975274666.db2.gz JCZMYMCLNQZLAK-DOMZBBRYSA-N -1 3 333.359 3.640 20 0 EHADHM C[C@H]1CN(Cc2cc(Cl)ccc2OCC2CC2)CC[C@H]1C(=O)[O-] ZINC000652497399 975559319 /nfs/dbraw/zinc/55/93/19/975559319.db2.gz 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CC(=O)c1cccc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c1[O-] ZINC000580775323 1020003326 /nfs/dbraw/zinc/00/33/26/1020003326.db2.gz CXVOFWLVDFFRIR-WDEREUQCSA-N -1 3 329.318 3.902 20 0 EHADHM Cc1nc(-c2cccc(NC([O-])=NO[C@H]3CCCCO3)c2)oc1C ZINC000155874077 1020104100 /nfs/dbraw/zinc/10/41/00/1020104100.db2.gz DDIDGBIQGKGCTK-HNNXBMFYSA-N -1 3 331.372 3.538 20 0 EHADHM Cc1nc(-c2cccc(NC(=O)[N-]O[C@H]3CCCCO3)c2)oc1C ZINC000155874077 1020104107 /nfs/dbraw/zinc/10/41/07/1020104107.db2.gz DDIDGBIQGKGCTK-HNNXBMFYSA-N -1 3 331.372 3.538 20 0 EHADHM Cc1cncc(C=CC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1 ZINC000255838418 1020137901 /nfs/dbraw/zinc/13/79/01/1020137901.db2.gz SKQVFWUHNYHDQS-BAQGIRSFSA-N -1 3 346.390 3.513 20 0 EHADHM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000580884600 1020183959 /nfs/dbraw/zinc/18/39/59/1020183959.db2.gz NSTXIQNCRZSGPT-ZDUSSCGKSA-N -1 3 339.439 3.546 20 0 EHADHM CC[C@H]1CCCN(Cc2cc(Br)ccc2C(=O)[O-])C1 ZINC000581137116 1020474424 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O=c1cc(CSCCCOCc2ccccc2)nc(C2CC2)[n-]1 ZINC000419584432 1020723363 /nfs/dbraw/zinc/72/33/63/1020723363.db2.gz ISTCXKGZSNEUTM-UHFFFAOYSA-N -1 3 330.453 3.900 20 0 EHADHM COCc1csc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000656565810 1020924079 /nfs/dbraw/zinc/92/40/79/1020924079.db2.gz VBGOBAKAUWMQPD-HNNXBMFYSA-N -1 3 339.844 3.854 20 0 EHADHM Cn1c(CN[C@H]2C[C@@H](CCC(=O)[O-])C2(C)C)nc2cc(Cl)ccc21 ZINC000656567878 1020927086 /nfs/dbraw/zinc/92/70/86/1020927086.db2.gz ACUFKGZOOWZVGS-ABAIWWIYSA-N -1 3 349.862 3.596 20 0 EHADHM [O-]c1cccc(CN2CCC(c3cccnc3)CC2)c1Br ZINC000656617916 1021034085 /nfs/dbraw/zinc/03/40/85/1021034085.db2.gz IZFHUGOUGGVMGH-UHFFFAOYSA-N -1 3 347.256 3.929 20 0 EHADHM CCc1cccc(C(=O)N(C)[C@@H]2CCCc3nc(C)sc32)c1[O-] ZINC000094130472 1032953103 /nfs/dbraw/zinc/95/31/03/1032953103.db2.gz ITKLIQSXQFPWBO-OAHLLOKOSA-N -1 3 330.453 3.869 20 0 EHADHM COc1ccc([C@H](C)NCc2nc3c4ccccc4oc3c(=O)[n-]2)cc1 ZINC000341216135 1021116099 /nfs/dbraw/zinc/11/60/99/1021116099.db2.gz FVEVVRGMDSOPLM-LBPRGKRZSA-N -1 3 349.390 3.941 20 0 EHADHM CCCCOc1ccc(C(=O)N2CCC(C)(OCC)CC2)c([O-])c1 ZINC000436793208 1021235462 /nfs/dbraw/zinc/23/54/62/1021235462.db2.gz QJISMSFMHWUIHJ-UHFFFAOYSA-N -1 3 335.444 3.602 20 0 EHADHM CCc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)c([O-])c1 ZINC000436804729 1021250530 /nfs/dbraw/zinc/25/05/30/1021250530.db2.gz UZGGAGXZCWAZGE-UHFFFAOYSA-N -1 3 335.787 3.878 20 0 EHADHM Cc1nnc(-c2ccccc2C(=O)Nc2ccc(Cl)cc2[O-])o1 ZINC000436811402 1021255175 /nfs/dbraw/zinc/25/51/75/1021255175.db2.gz JTCNUDCOGWKSSM-UHFFFAOYSA-N -1 3 329.743 3.656 20 0 EHADHM CCc1ccc(C(=O)N2CCC(n3c(C)ccc3C)CC2)c([O-])c1 ZINC000436826046 1021278339 /nfs/dbraw/zinc/27/83/39/1021278339.db2.gz NHHZOUPOSAEHBN-UHFFFAOYSA-N -1 3 326.440 3.850 20 0 EHADHM Cc1nc(C(C)C)ccc1CN1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000656768046 1021305514 /nfs/dbraw/zinc/30/55/14/1021305514.db2.gz UMZAHWYFHMWKSJ-AOIWGVFYSA-N -1 3 330.472 3.979 20 0 EHADHM CCOc1cc(-c2noc(-c3ccc(CC)cc3[O-])n2)ccc1O ZINC000436868655 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CC[C@H]1CCc2c(sc3[n-]c(-c4ccc(C)nn4)nc(=O)c23)C1 ZINC000521214984 1025275774 /nfs/dbraw/zinc/27/57/74/1025275774.db2.gz HRXADHDRHSNWKA-JTQLQIEISA-N -1 3 326.425 3.677 20 0 EHADHM CC(F)(F)c1ccccc1[N-]S(=O)(=O)CCc1cccs1 ZINC000451091314 1025530801 /nfs/dbraw/zinc/53/08/01/1025530801.db2.gz WGEHZARBFHDXCV-UHFFFAOYSA-N -1 3 331.409 3.844 20 0 EHADHM CC(C)c1ccc(-c2noc(COC(=O)c3ccc([O-])cc3)n2)cc1 ZINC000007338537 1025543269 /nfs/dbraw/zinc/54/32/69/1025543269.db2.gz WZTSOSQQKQIUNU-UHFFFAOYSA-N -1 3 338.363 3.923 20 0 EHADHM CCc1c(NC(=O)Cc2ccc([O-])c(F)c2)cnn1C(CC)CC ZINC000451145137 1025595839 /nfs/dbraw/zinc/59/58/39/1025595839.db2.gz KBVDZVMSMAKJEX-UHFFFAOYSA-N -1 3 333.407 3.833 20 0 EHADHM Cc1ccc([O-])c(C(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)c1 ZINC000442943816 1025611636 /nfs/dbraw/zinc/61/16/36/1025611636.db2.gz PLTUWSKNVKOHGY-RTBURBONSA-N -1 3 341.407 3.635 20 0 EHADHM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000521886611 1025750313 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COc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c([O-])c1 ZINC000436557693 1025865583 /nfs/dbraw/zinc/86/55/83/1025865583.db2.gz VGWUDWOLTZDNOD-QRQLOZEOSA-N -1 3 337.419 3.809 20 0 EHADHM CC(C)c1ccc(C(=O)NCc2nnc(C(C)(C)C)s2)c([O-])c1 ZINC000436591774 1025908972 /nfs/dbraw/zinc/90/89/72/1025908972.db2.gz YEDUPNFULDBFFA-UHFFFAOYSA-N -1 3 333.457 3.595 20 0 EHADHM CC(C)c1ccc(C(=O)N[C@H]2CCc3cn(C(C)C)nc3C2)c([O-])c1 ZINC000436596471 1025916917 /nfs/dbraw/zinc/91/69/17/1025916917.db2.gz MGNUZFRLZKYVKV-INIZCTEOSA-N -1 3 341.455 3.580 20 0 EHADHM CC[C@@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1c(C)nn(C)c1C ZINC000436578906 1025918431 /nfs/dbraw/zinc/91/84/31/1025918431.db2.gz YBYCDCOCXGBEGH-MRXNPFEDSA-N -1 3 329.444 3.747 20 0 EHADHM CC1(C)CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CCS1 ZINC000436582978 1025921348 /nfs/dbraw/zinc/92/13/48/1025921348.db2.gz JKYRESRNLIUOED-UHFFFAOYSA-N -1 3 341.476 3.951 20 0 EHADHM O=C(NCc1csc(CCc2ccccc2)n1)c1ccccc1[O-] ZINC000436583245 1025925787 /nfs/dbraw/zinc/92/57/87/1025925787.db2.gz CYCGDRCMNJQYPS-UHFFFAOYSA-N -1 3 338.432 3.564 20 0 EHADHM C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000436620025 1025933408 /nfs/dbraw/zinc/93/34/08/1025933408.db2.gz RQKUZAVFTRZCHD-AWEZNQCLSA-N -1 3 344.842 3.565 20 0 EHADHM O=C(NC1CC(F)(c2cccc(Cl)c2)C1)c1c([O-])cccc1O ZINC000436601204 1025933821 /nfs/dbraw/zinc/93/38/21/1025933821.db2.gz CBMJHOUPAHJXSB-UHFFFAOYSA-N -1 3 335.762 3.508 20 0 EHADHM CC(=O)c1ccc(C(=O)N(C)[C@H](C)c2sc(C)nc2C)cc1[O-] ZINC000436628685 1025958001 /nfs/dbraw/zinc/95/80/01/1025958001.db2.gz GQMIXSQWWJPYJJ-SNVBAGLBSA-N -1 3 332.425 3.501 20 0 EHADHM CC(C)c1ccc(C(=O)NCc2ccccc2Cn2cccn2)c([O-])c1 ZINC000436638981 1025966405 /nfs/dbraw/zinc/96/64/05/1025966405.db2.gz AMWSDEYSQJAENT-UHFFFAOYSA-N -1 3 349.434 3.690 20 0 EHADHM O=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)c1ccc(O)cc1[O-] ZINC000436621338 1025971800 /nfs/dbraw/zinc/97/18/00/1025971800.db2.gz VOCXSOIWUXFHJK-ZDUSSCGKSA-N -1 3 345.704 3.785 20 0 EHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)c(C)c1 ZINC000324565602 1025980856 /nfs/dbraw/zinc/98/08/56/1025980856.db2.gz RJKOVKXPJXFNEH-UHFFFAOYSA-N -1 3 341.436 3.803 20 0 EHADHM CCc1ccc([O-])c(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)c1 ZINC000508420032 1025980928 /nfs/dbraw/zinc/98/09/28/1025980928.db2.gz XEHWQMLAMILGQU-GOSISDBHSA-N -1 3 345.826 3.822 20 0 EHADHM CC(=O)c1ccc(C(=O)N2CCc3c2cccc3C(F)(F)F)cc1[O-] ZINC000436675471 1026023124 /nfs/dbraw/zinc/02/31/24/1026023124.db2.gz ZALDBQJSVMRNEC-UHFFFAOYSA-N -1 3 349.308 3.817 20 0 EHADHM COc1cc(-c2nc(-c3cccc4[nH]ccc43)no2)cc(OC)c1[O-] ZINC000436685779 1026040868 /nfs/dbraw/zinc/04/08/68/1026040868.db2.gz BXONGIWXBQOONK-UHFFFAOYSA-N -1 3 337.335 3.608 20 0 EHADHM COc1cc(-c2nc([C@@H](C)c3ccc(C)cc3)no2)cc(OC)c1[O-] ZINC000436689808 1026045223 /nfs/dbraw/zinc/04/52/23/1026045223.db2.gz OQSMEZVHMBKCIY-LBPRGKRZSA-N -1 3 340.379 3.920 20 0 EHADHM Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2ccccc2[O-])cc1 ZINC000436717563 1026088320 /nfs/dbraw/zinc/08/83/20/1026088320.db2.gz HPWLLPYWARQXMH-VQIMIIECSA-N -1 3 325.408 3.598 20 0 EHADHM C[C@H]1C[C@H](CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])CCO1 ZINC000436720433 1026093998 /nfs/dbraw/zinc/09/39/98/1026093998.db2.gz JSPZUWNQGCPPGA-MAUKXSAKSA-N -1 3 339.435 3.528 20 0 EHADHM COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(OC)cc1[O-] ZINC000436737783 1026103698 /nfs/dbraw/zinc/10/36/98/1026103698.db2.gz KIAGBZSIFWLPBY-INIZCTEOSA-N -1 3 349.814 3.514 20 0 EHADHM CCCCN(Cc1ccccc1F)C(=O)c1ccc(OC)cc1[O-] ZINC000436738121 1026105562 /nfs/dbraw/zinc/10/55/62/1026105562.db2.gz NFGXVZIPCGGXJM-UHFFFAOYSA-N -1 3 331.387 3.982 20 0 EHADHM COc1cccc(C(=O)N2CC(C)(C)c3c2cccc3Cl)c1[O-] ZINC000436730746 1026119788 /nfs/dbraw/zinc/11/97/88/1026119788.db2.gz MPBYUYRNIHMIQE-UHFFFAOYSA-N -1 3 331.799 3.992 20 0 EHADHM Cc1ccc(C(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)c([O-])c1 ZINC000436732157 1026122992 /nfs/dbraw/zinc/12/29/92/1026122992.db2.gz PAIJYRBIGNWYHE-MRVPVSSYSA-N -1 3 330.331 3.667 20 0 EHADHM Cc1ccc(C(=O)NCc2nc3cc(Cl)ccc3s2)c([O-])c1 ZINC000436763136 1026133832 /nfs/dbraw/zinc/13/38/32/1026133832.db2.gz FEKWAPRZOCQXIX-UHFFFAOYSA-N -1 3 332.812 3.894 20 0 EHADHM COc1ccc(C)cc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436756614 1026146508 /nfs/dbraw/zinc/14/65/08/1026146508.db2.gz RAWBXQDRIJDDEM-UHFFFAOYSA-N -1 3 327.380 3.675 20 0 EHADHM COc1ccc2cc(C(=O)N=c3cc(-c4ccccc4)o[n-]3)[nH]c2c1 ZINC000530641416 1026176430 /nfs/dbraw/zinc/17/64/30/1026176430.db2.gz RARMJHVHLRXLFC-UHFFFAOYSA-N -1 3 333.347 3.506 20 0 EHADHM CCc1cccc(C(=O)Nc2ccc(NC(C)=O)c(Cl)c2)c1[O-] ZINC000530721333 1026246168 /nfs/dbraw/zinc/24/61/68/1026246168.db2.gz DOXTXMTXFUUXQL-UHFFFAOYSA-N -1 3 332.787 3.819 20 0 EHADHM CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(Br)cc1[O-] ZINC000530798875 1026297639 /nfs/dbraw/zinc/29/76/39/1026297639.db2.gz XXZBHBYURGSBDE-LLVKDONJSA-N -1 3 344.249 3.935 20 0 EHADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)Cc2c(Cl)cccc2Cl)n1 ZINC000582466456 1026346315 /nfs/dbraw/zinc/34/63/15/1026346315.db2.gz WXRQQTKKWPDONO-SNVBAGLBSA-N -1 3 326.227 3.990 20 0 EHADHM CCc1cccc(C(=O)Nc2cccc(Nc3cnn(C)c3)c2)c1[O-] ZINC000530957813 1026446061 /nfs/dbraw/zinc/44/60/61/1026446061.db2.gz RTAONZYMDOYNNX-UHFFFAOYSA-N -1 3 336.395 3.684 20 0 EHADHM Cc1cc(C(=O)Nc2ccc(Br)cc2[O-])c(F)cc1F ZINC000531370432 1026852378 /nfs/dbraw/zinc/85/23/78/1026852378.db2.gz CODAYYPPMBCEFB-UHFFFAOYSA-N -1 3 342.139 3.994 20 0 EHADHM O=C(Nc1ccc2nccn2c1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001167597444 1026920399 /nfs/dbraw/zinc/92/03/99/1026920399.db2.gz JEPYSXVJFPYAPN-UHFFFAOYSA-N -1 3 343.386 3.883 20 0 EHADHM O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000342754154 1026962439 /nfs/dbraw/zinc/96/24/39/1026962439.db2.gz PEOURZSMARAKIZ-NHYWBVRUSA-N -1 3 330.815 3.586 20 0 EHADHM CC[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000531539123 1027025651 /nfs/dbraw/zinc/02/56/51/1027025651.db2.gz WMPMOFYFFRBLRA-BBRMVZONSA-N -1 3 340.427 3.858 20 0 EHADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cccc2[nH]ccc21 ZINC000531567420 1027055415 /nfs/dbraw/zinc/05/54/15/1027055415.db2.gz YRBHRTNZJKMYRY-UHFFFAOYSA-N -1 3 338.317 3.510 20 0 EHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCC[C@@H]3CCCCO3)nc2)n1 ZINC000302224976 1027095654 /nfs/dbraw/zinc/09/56/54/1027095654.db2.gz OHQCJDRMKIVUOF-INIZCTEOSA-N -1 3 342.443 3.568 20 0 EHADHM CO[C@H]1C[C@H](N(C)C(=O)c2cc([O-])c3ccccc3c2)C12CCC2 ZINC000456552677 1027416733 /nfs/dbraw/zinc/41/67/33/1027416733.db2.gz CJBXZUMAMJNOAE-ROUUACIJSA-N -1 3 325.408 3.575 20 0 EHADHM Cc1ccc(CCCCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000521465976 1027601911 /nfs/dbraw/zinc/60/19/11/1027601911.db2.gz MVTLNEHWEZYQEX-UHFFFAOYSA-N -1 3 335.411 3.527 20 0 EHADHM Cc1ccc(CCCCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000521465976 1027601923 /nfs/dbraw/zinc/60/19/23/1027601923.db2.gz MVTLNEHWEZYQEX-UHFFFAOYSA-N -1 3 335.411 3.527 20 0 EHADHM COc1cccc(-c2nc(Cc3csc(C(C)C)n3)no2)c1[O-] ZINC000273775800 1027615168 /nfs/dbraw/zinc/61/51/68/1027615168.db2.gz FMRRKXSBWYCWDT-UHFFFAOYSA-N -1 3 331.397 3.622 20 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/nfs/dbraw/zinc/04/03/02/1028040302.db2.gz VHLZBDVKUKBIIL-OAHLLOKOSA-N -1 3 348.328 3.502 20 0 EHADHM CC(C)Sc1ccccc1[N-]C(=O)c1cc(Cn2cccn2)on1 ZINC000342916576 1028099900 /nfs/dbraw/zinc/09/99/00/1028099900.db2.gz CEHKKBUVJFEREJ-UHFFFAOYSA-N -1 3 342.424 3.672 20 0 EHADHM CC(C)(C)c1nc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cs1 ZINC000523289143 1028129057 /nfs/dbraw/zinc/12/90/57/1028129057.db2.gz AVMOZZFPIUJHBU-UHFFFAOYSA-N -1 3 326.425 3.505 20 0 EHADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1noc(-c2ccccc2)n1 ZINC000342940224 1028263600 /nfs/dbraw/zinc/26/36/00/1028263600.db2.gz QEIVBSLUDPIPLV-SNVBAGLBSA-N -1 3 343.770 3.587 20 0 EHADHM CCCCc1nc(NC(=O)C=C(C)C(C)(C)C)c(C(=O)OCC)[n-]1 ZINC001269124356 1028334943 /nfs/dbraw/zinc/33/49/43/1028334943.db2.gz STZLEDVLIWTNPG-QXMHVHEDSA-N -1 3 335.448 3.860 20 0 EHADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(C)c1Cl)c1ccccc1 ZINC000582945556 1028338109 /nfs/dbraw/zinc/33/81/09/1028338109.db2.gz CKOFNNDHZGSZKP-HNNXBMFYSA-N -1 3 339.844 3.778 20 0 EHADHM Cc1oc(C2CC2)nc1C(=O)N=c1cc(-c2cc(C)cc(C)c2)[n-][nH]1 ZINC000548783064 1028551429 /nfs/dbraw/zinc/55/14/29/1028551429.db2.gz FDIGECBBOLIKTD-UHFFFAOYSA-N -1 3 336.395 3.542 20 0 EHADHM Cc1cc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c(C)cc1O ZINC000343004777 1028611172 /nfs/dbraw/zinc/61/11/72/1028611172.db2.gz ZNAYJWDGYUKQMA-UHFFFAOYSA-N -1 3 340.354 3.550 20 0 EHADHM [O-]c1cncc(/C=C/c2nc(Cc3c[nH]c4cc(F)ccc34)no2)c1 ZINC000445231053 1028623558 /nfs/dbraw/zinc/62/35/58/1028623558.db2.gz CHXLWMXEGYDGKL-DAFODLJHSA-N -1 3 336.326 3.552 20 0 EHADHM Cc1ccccc1-c1noc([C@H](C)[S@@](=O)c2ccc([O-])cc2)n1 ZINC000075078969 1028642137 /nfs/dbraw/zinc/64/21/37/1028642137.db2.gz JJXLPOFIOMVKSI-MYODQAERSA-N -1 3 328.393 3.619 20 0 EHADHM C[C@H](Cc1cccc(F)c1)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000445506842 1028864697 /nfs/dbraw/zinc/86/46/97/1028864697.db2.gz WFOOVKHKQOSBMF-LLVKDONJSA-N -1 3 331.416 3.599 20 0 EHADHM CC(C)c1nn(C)c2sc(C(=O)[N-]c3nnc(C4CC4)s3)cc12 ZINC000079632573 1028960930 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349.799 3.971 20 0 EHADHM CCN1CCN(c2ccc(Nc3ccc([S-])c(OC)c3)cc2)CC1 ZINC001175781662 1132765930 /nfs/dbraw/zinc/76/59/30/1132765930.db2.gz KMYPOTSOSPSRJL-UHFFFAOYSA-N -1 3 343.496 3.869 20 0 EHADHM COc1cc(Br)nc(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212591325 1132785150 /nfs/dbraw/zinc/78/51/50/1132785150.db2.gz GRMCCISVAKLCSC-UHFFFAOYSA-N -1 3 329.581 3.955 20 0 EHADHM CS(=O)(=O)c1ccc2cc(Nc3ccc(Cl)c([O-])c3)cnc2c1 ZINC001212591420 1132787475 /nfs/dbraw/zinc/78/74/75/1132787475.db2.gz LQWJRFCLTPOAIO-UHFFFAOYSA-N -1 3 348.811 3.741 20 0 EHADHM C[C@H]1CC(=O)NN=C1c1ccc(Nc2ccc(Cl)c([O-])c2)cc1 ZINC001212593511 1132809671 /nfs/dbraw/zinc/80/96/71/1132809671.db2.gz VMDUHQGOWZFWBF-JTQLQIEISA-N -1 3 329.787 3.649 20 0 EHADHM CCOC(=O)c1cc(C(F)(F)F)ccc1NCc1ncccc1[O-] ZINC001169733071 1132843468 /nfs/dbraw/zinc/84/34/68/1132843468.db2.gz RUUHSPQLZCDJJZ-UHFFFAOYSA-N -1 3 340.301 3.595 20 0 EHADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)cc2)cc1N ZINC001176640555 1132974564 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CCOc1ccc(-c2nc(COC(=O)c3ccc([O-])cc3)co2)cc1 ZINC000773104966 1137465592 /nfs/dbraw/zinc/46/55/92/1137465592.db2.gz MMRPWIUEJFGCTL-UHFFFAOYSA-N -1 3 339.347 3.803 20 0 EHADHM O=C(NCc1c(F)cc(F)cc1F)c1cc([O-])c2ccccc2c1 ZINC000510991733 1137471431 /nfs/dbraw/zinc/47/14/31/1137471431.db2.gz RDCWEQSRGQFDKO-UHFFFAOYSA-N -1 3 331.293 3.893 20 0 EHADHM Cc1cccc(C(=O)Nc2ccc([C@H](O)C(F)(F)F)cc2)c1[O-] ZINC001171649922 1137501972 /nfs/dbraw/zinc/50/19/72/1137501972.db2.gz PVTSDJIINDMZFR-AWEZNQCLSA-N -1 3 325.286 3.549 20 0 EHADHM O=C(N[C@@H](C1CCC1)[C@H]1CCOC1)c1cc2sccc2c([O-])c1 ZINC000871304814 1137534365 /nfs/dbraw/zinc/53/43/65/1137534365.db2.gz QCLRRWZTCFXCCC-SJCJKPOMSA-N -1 3 331.437 3.542 20 0 EHADHM C[C@H](N[C@H]1CCN(c2ccccc2Cl)C1=O)c1cccc([O-])c1F ZINC000872046027 1137567572 /nfs/dbraw/zinc/56/75/72/1137567572.db2.gz UKJWDSJJRJXMFD-FZMZJTMJSA-N -1 3 348.805 3.641 20 0 EHADHM Cc1ccc(N[C@@H](C)c2cccc([O-])c2F)cc1N1CCNC1=O ZINC000872068735 1137569526 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Cc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000023346351 1137748798 /nfs/dbraw/zinc/74/87/98/1137748798.db2.gz ZRUFWHVUISXVQH-LLVKDONJSA-N -1 3 328.393 3.722 20 0 EHADHM O=C(COC(=O)c1cc2ccsc2[n-]1)Nc1cccc(Cl)c1 ZINC000023345670 1137748831 /nfs/dbraw/zinc/74/88/31/1137748831.db2.gz NWGZTNHADITIMS-UHFFFAOYSA-N -1 3 334.784 3.678 20 0 EHADHM CCc1ccccc1NC(=O)COC(=O)c1cc2ccsc2[n-]1 ZINC000023346373 1137748977 /nfs/dbraw/zinc/74/89/77/1137748977.db2.gz FTRUPANBPBJWBI-UHFFFAOYSA-N -1 3 328.393 3.587 20 0 EHADHM Cc1cncc([C@@H]2CCCN2Cc2cc(=O)oc3cc([O-])ccc23)c1 ZINC000879750098 1137757822 /nfs/dbraw/zinc/75/78/22/1137757822.db2.gz NKESVBSGZIWJPU-SFHVURJKSA-N -1 3 336.391 3.539 20 0 EHADHM O=C(CCCc1ccc([O-])c(F)c1)NCC[C@@H]1CCCC1(F)F ZINC000881587840 1137810944 /nfs/dbraw/zinc/81/09/44/1137810944.db2.gz YLSIYXIQZLFPBW-ZDUSSCGKSA-N -1 3 329.362 3.796 20 0 EHADHM CCc1cccc(C(=O)N2CCCC[C@@H](C3CCOCC3)C2)c1[O-] ZINC000882912038 1137838013 /nfs/dbraw/zinc/83/80/13/1137838013.db2.gz JFSCPRGFCAZXHU-QGZVFWFLSA-N -1 3 331.456 3.624 20 0 EHADHM C[C@H](OC(=O)c1cccc2nn[n-]c21)c1cccc(Br)c1 ZINC000800206227 1137902522 /nfs/dbraw/zinc/90/25/22/1137902522.db2.gz ABYHIXBTZGMTAO-VIFPVBQESA-N -1 3 346.184 3.638 20 0 EHADHM C[C@H](OC(=O)c1cccc2[n-]nnc21)c1cccc(Br)c1 ZINC000800206227 1137902523 /nfs/dbraw/zinc/90/25/23/1137902523.db2.gz ABYHIXBTZGMTAO-VIFPVBQESA-N -1 3 346.184 3.638 20 0 EHADHM C[C@H](OC(=O)c1cccc2n[n-]nc21)c1cccc(Br)c1 ZINC000800206227 1137902524 /nfs/dbraw/zinc/90/25/24/1137902524.db2.gz ABYHIXBTZGMTAO-VIFPVBQESA-N -1 3 346.184 3.638 20 0 EHADHM O=C(OCc1ccc(Cl)c2cccnc12)c1cccc2nn[n-]c21 ZINC000800209597 1137902629 /nfs/dbraw/zinc/90/26/29/1137902629.db2.gz XQQONEFYXDFLHN-UHFFFAOYSA-N -1 3 338.754 3.517 20 0 EHADHM O=C(OCc1ccc(Cl)c2cccnc12)c1cccc2[n-]nnc21 ZINC000800209597 1137902630 /nfs/dbraw/zinc/90/26/30/1137902630.db2.gz XQQONEFYXDFLHN-UHFFFAOYSA-N -1 3 338.754 3.517 20 0 EHADHM O=C(OCc1ccc(Cl)c2cccnc12)c1cccc2n[n-]nc21 ZINC000800209597 1137902631 /nfs/dbraw/zinc/90/26/31/1137902631.db2.gz XQQONEFYXDFLHN-UHFFFAOYSA-N -1 3 338.754 3.517 20 0 EHADHM CC(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2nc(C)cs2)cc1[O-] ZINC000331852599 1137922961 /nfs/dbraw/zinc/92/29/61/1137922961.db2.gz DEXZBLMMCSNNOZ-OAHLLOKOSA-N -1 3 344.436 3.727 20 0 EHADHM O=C(Cc1ccc([O-])c(F)c1)OC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000884539242 1137962501 /nfs/dbraw/zinc/96/25/01/1137962501.db2.gz WJYYLLBCJZKHKC-CRAIPNDOSA-N -1 3 330.355 3.537 20 0 EHADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)OCc1nnc(-c2ccccc2[O-])o1 ZINC000884562462 1137963203 /nfs/dbraw/zinc/96/32/03/1137963203.db2.gz BATITFCPUGZOEB-WCQYABFASA-N -1 3 330.384 3.558 20 0 EHADHM COc1cccc(-c2cc(C(=O)[N-]c3sccc3C(C)=O)on2)c1 ZINC001274000274 1138243666 /nfs/dbraw/zinc/24/36/66/1138243666.db2.gz DIVGRKFASMLDQE-UHFFFAOYSA-N -1 3 342.376 3.867 20 0 EHADHM Cc1oc(NC(=O)c2cc([O-])cc(Br)c2)nc1C1CC1 ZINC000887242643 1138245979 /nfs/dbraw/zinc/24/59/79/1138245979.db2.gz KFTLQYXZMCYKOS-UHFFFAOYSA-N -1 3 337.173 3.581 20 0 EHADHM CC(C)(C)c1csc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)n1 ZINC000264103188 1138419001 /nfs/dbraw/zinc/41/90/01/1138419001.db2.gz AWWZMGPZBJPQOR-UHFFFAOYSA-N -1 3 341.436 3.624 20 0 EHADHM O=C(Nc1ccc2ccc(Cl)cc2n1)c1c[n-]c2ccccc2c1=O ZINC000337503856 1138588835 /nfs/dbraw/zinc/58/88/35/1138588835.db2.gz GGNFRJOIQYUQGB-UHFFFAOYSA-N -1 3 349.777 3.982 20 0 EHADHM CSc1ccccc1[C@@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000337570330 1138608538 /nfs/dbraw/zinc/60/85/38/1138608538.db2.gz YXDHNSQZRIMAOU-GFCCVEGCSA-N -1 3 338.432 3.741 20 0 EHADHM O=C(Nc1ccc(OC(F)F)cc1F)c1c[n-]c2ccccc2c1=O ZINC000338299854 1138822868 /nfs/dbraw/zinc/82/28/68/1138822868.db2.gz BJBVUPIMZPTTHV-UHFFFAOYSA-N -1 3 348.280 3.521 20 0 EHADHM CCOCCC1(CNC(=O)c2cc(SC)ccc2[O-])CCCC1 ZINC001137251199 1139178925 /nfs/dbraw/zinc/17/89/25/1139178925.db2.gz VKZGIFXMJOTALZ-UHFFFAOYSA-N -1 3 337.485 3.831 20 0 EHADHM Cc1ccc(C(C)(C)CN(C)Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000173646047 1139369663 /nfs/dbraw/zinc/36/96/63/1139369663.db2.gz KDZSQZRLHYKTFI-UHFFFAOYSA-N -1 3 341.480 3.703 20 0 EHADHM COC[C@@H](C)SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000173749583 1139375385 /nfs/dbraw/zinc/37/53/85/1139375385.db2.gz LFTUYLRLTJTQQV-SECBINFHSA-N -1 3 336.438 3.513 20 0 EHADHM CCC[C@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1ccccc1 ZINC000179244373 1139745888 /nfs/dbraw/zinc/74/58/88/1139745888.db2.gz CDSHDUVDKTZDOX-HNNXBMFYSA-N -1 3 329.396 3.681 20 0 EHADHM O=C(CC1CCC(C(F)(F)F)CC1)Nc1n[n-]c(-c2ccco2)n1 ZINC000180669618 1139855034 /nfs/dbraw/zinc/85/50/34/1139855034.db2.gz DKMDSNWAIPHSBO-UHFFFAOYSA-N -1 3 342.321 3.762 20 0 EHADHM CC(C)(C)c1ncsc1C(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000182698434 1139987190 /nfs/dbraw/zinc/98/71/90/1139987190.db2.gz PNOJIWRUWHJSNO-UHFFFAOYSA-N -1 3 333.461 3.790 20 0 EHADHM COc1ccc(N[C@H](C)c2cc(C)cc(C)c2)cc1[N-]S(C)(=O)=O ZINC000182735678 1139989211 /nfs/dbraw/zinc/98/92/11/1139989211.db2.gz GBHHBHATQCUDGO-CQSZACIVSA-N -1 3 348.468 3.857 20 0 EHADHM CCc1cc(=O)[n-]c(CN[C@H](C)c2oc3ccc(OC)cc3c2C)n1 ZINC000184325195 1140095987 /nfs/dbraw/zinc/09/59/87/1140095987.db2.gz NBGLHNSZVHRKKM-GFCCVEGCSA-N -1 3 341.411 3.659 20 0 EHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3=CCCCCC3)c2)n1 ZINC000185649273 1140160722 /nfs/dbraw/zinc/16/07/22/1140160722.db2.gz DJLUXRNXNGNWOT-UHFFFAOYSA-N -1 3 337.423 3.828 20 0 EHADHM CCc1ccc(C(=O)N2C[C@@H](c3ccsc3)O[C@@H](C)C2)c([O-])c1 ZINC000188350646 1140293184 /nfs/dbraw/zinc/29/31/84/1140293184.db2.gz PPFSMHMLVJSKNY-SJCJKPOMSA-N -1 3 331.437 3.618 20 0 EHADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@H](C)c1cccc(F)c1F ZINC000192796017 1140551708 /nfs/dbraw/zinc/55/17/08/1140551708.db2.gz KKYUGIXMTSFFMM-SNVBAGLBSA-N -1 3 326.293 3.637 20 0 EHADHM CC[C@@H](C)Oc1cccc(NC(=O)c2c(C)[n-]c(=O)nc2SC)c1 ZINC000266980233 1140745761 /nfs/dbraw/zinc/74/57/61/1140745761.db2.gz FNKFGLSBNWATHT-SNVBAGLBSA-N -1 3 347.440 3.642 20 0 EHADHM CCC1(O)CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000267051561 1140754717 /nfs/dbraw/zinc/75/47/17/1140754717.db2.gz XLWPLNNMTGSXCZ-UHFFFAOYSA-N -1 3 341.407 3.562 20 0 EHADHM CC(=O)Nc1ccc([O-])c(C(=O)N([C@@H](C)c2ccccc2)C2CC2)c1 ZINC000270043214 1141172153 /nfs/dbraw/zinc/17/21/53/1141172153.db2.gz LEUWELIDBZTBQU-ZDUSSCGKSA-N -1 3 338.407 3.716 20 0 EHADHM O=C1CCCC[C@H]1Sc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000068932710 215346816 /nfs/dbraw/zinc/34/68/16/215346816.db2.gz RDPCOCKSRWHXNM-CYBMUJFWSA-N -1 3 337.832 3.641 20 0 EHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc2cc(Cl)ccc2o1 ZINC000123624922 222307231 /nfs/dbraw/zinc/30/72/31/222307231.db2.gz PWBURPIBJPUFMC-UHFFFAOYSA-N -1 3 339.742 3.519 20 0 EHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2cc(Cl)ccc2o1 ZINC000123624922 222307235 /nfs/dbraw/zinc/30/72/35/222307235.db2.gz PWBURPIBJPUFMC-UHFFFAOYSA-N -1 3 339.742 3.519 20 0 EHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H](C)c2cccc(C)c2)s1 ZINC000736679378 598831397 /nfs/dbraw/zinc/83/13/97/598831397.db2.gz SIYOOWMXLQBVIE-NSHDSACASA-N -1 3 341.440 3.541 20 0 EHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H](C)c2cccc(C)c2)s1 ZINC000736679378 598831398 /nfs/dbraw/zinc/83/13/98/598831398.db2.gz SIYOOWMXLQBVIE-NSHDSACASA-N -1 3 341.440 3.541 20 0 EHADHM C[C@@H](CC1CCCC1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000735986273 598903018 /nfs/dbraw/zinc/90/30/18/598903018.db2.gz QIOBQXNHJGZQLN-JTQLQIEISA-N -1 3 345.472 3.572 20 0 EHADHM C[C@@H](CC1CCCC1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000735986273 598903021 /nfs/dbraw/zinc/90/30/21/598903021.db2.gz QIOBQXNHJGZQLN-JTQLQIEISA-N -1 3 345.472 3.572 20 0 EHADHM Cc1c(NCc2ncc(-c3cccs3)o2)cccc1-c1nnn[n-]1 ZINC000822123241 607256983 /nfs/dbraw/zinc/25/69/83/607256983.db2.gz XEIJXQIVTAHIFF-UHFFFAOYSA-N -1 3 338.396 3.504 20 0 EHADHM Cc1c(NCc2ncc(-c3cccs3)o2)cccc1-c1nn[n-]n1 ZINC000822123241 607256984 /nfs/dbraw/zinc/25/69/84/607256984.db2.gz XEIJXQIVTAHIFF-UHFFFAOYSA-N -1 3 338.396 3.504 20 0 EHADHM CC[C@H](C)c1ccc(OC(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000736329766 599026660 /nfs/dbraw/zinc/02/66/60/599026660.db2.gz VCNNYTPPMCSEIA-JTQLQIEISA-N -1 3 328.397 3.661 20 0 EHADHM C[C@@H]1C[C@H]1[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1 ZINC000820668291 599054292 /nfs/dbraw/zinc/05/42/92/599054292.db2.gz RGCKZEKKJJKVQY-HQQWDMGQSA-N -1 3 340.818 3.724 20 0 EHADHM C[C@@H]1C[C@H]1[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1 ZINC000820668291 599054295 /nfs/dbraw/zinc/05/42/95/599054295.db2.gz RGCKZEKKJJKVQY-HQQWDMGQSA-N -1 3 340.818 3.724 20 0 EHADHM CCCCc1noc([C@H](C)Sc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000736466530 599066182 /nfs/dbraw/zinc/06/61/82/599066182.db2.gz MGZFTIVMZUFSLW-VIFPVBQESA-N -1 3 348.407 3.585 20 0 EHADHM CCCCc1noc([C@H](C)Sc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000736466530 599066186 /nfs/dbraw/zinc/06/61/86/599066186.db2.gz MGZFTIVMZUFSLW-VIFPVBQESA-N -1 3 348.407 3.585 20 0 EHADHM C[C@@H](CNc1ccc(F)cc1-c1nnn[n-]1)Oc1ccc(Cl)cc1 ZINC000820280342 599089614 /nfs/dbraw/zinc/08/96/14/599089614.db2.gz DRZHJMHDMSTAJF-JTQLQIEISA-N -1 3 347.781 3.539 20 0 EHADHM C[C@@H](CNc1ccc(F)cc1-c1nn[n-]n1)Oc1ccc(Cl)cc1 ZINC000820280342 599089617 /nfs/dbraw/zinc/08/96/17/599089617.db2.gz DRZHJMHDMSTAJF-JTQLQIEISA-N -1 3 347.781 3.539 20 0 EHADHM COc1ccc(-c2nc3cccc(Cl)c3s2)cc1-c1nnn[n-]1 ZINC000821732483 599156023 /nfs/dbraw/zinc/15/60/23/599156023.db2.gz ONPUKFOBRFTRGM-UHFFFAOYSA-N -1 3 343.799 3.805 20 0 EHADHM COc1ccc(-c2nc3cccc(Cl)c3s2)cc1-c1nn[n-]n1 ZINC000821732483 599156025 /nfs/dbraw/zinc/15/60/25/599156025.db2.gz ONPUKFOBRFTRGM-UHFFFAOYSA-N -1 3 343.799 3.805 20 0 EHADHM CCCC[C@H](CC)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736436212 599221568 /nfs/dbraw/zinc/22/15/68/599221568.db2.gz BIJRYDOYEYLFFU-NSHDSACASA-N -1 3 347.488 3.962 20 0 EHADHM CCCC[C@H](CC)CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736436212 599221571 /nfs/dbraw/zinc/22/15/71/599221571.db2.gz BIJRYDOYEYLFFU-NSHDSACASA-N -1 3 347.488 3.962 20 0 EHADHM Cc1c(NC(=O)c2ccc(C(C)(C)C)s2)cccc1-c1nnn[n-]1 ZINC000822108884 607270854 /nfs/dbraw/zinc/27/08/54/607270854.db2.gz LRVOXADJUNPWBQ-UHFFFAOYSA-N -1 3 341.440 3.786 20 0 EHADHM Cc1c(NC(=O)c2ccc(C(C)(C)C)s2)cccc1-c1nn[n-]n1 ZINC000822108884 607270855 /nfs/dbraw/zinc/27/08/55/607270855.db2.gz LRVOXADJUNPWBQ-UHFFFAOYSA-N -1 3 341.440 3.786 20 0 EHADHM c1cc(-c2nnn[n-]2)sc1CNc1ccc(OC2CCCC2)cc1 ZINC000823756577 607309449 /nfs/dbraw/zinc/30/94/49/607309449.db2.gz CISIPZSOBASESH-UHFFFAOYSA-N -1 3 341.440 3.862 20 0 EHADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000821034655 599272084 /nfs/dbraw/zinc/27/20/84/599272084.db2.gz QTBHJJOVJNHQCA-CZUORRHYSA-N -1 3 342.447 3.608 20 0 EHADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000821034655 599272086 /nfs/dbraw/zinc/27/20/86/599272086.db2.gz QTBHJJOVJNHQCA-CZUORRHYSA-N -1 3 342.447 3.608 20 0 EHADHM Cc1cc(NCc2cc(-c3nnn[n-]3)cs2)c2cccnc2c1C ZINC000822209504 607318647 /nfs/dbraw/zinc/31/86/47/607318647.db2.gz LOKGULXIKCYMHB-UHFFFAOYSA-N -1 3 336.424 3.705 20 0 EHADHM Cc1cc(NCc2cc(-c3nn[n-]n3)cs2)c2cccnc2c1C ZINC000822209504 607318648 /nfs/dbraw/zinc/31/86/48/607318648.db2.gz LOKGULXIKCYMHB-UHFFFAOYSA-N -1 3 336.424 3.705 20 0 EHADHM c1sc(CNc2ccc3nc(C4CC4)oc3c2)cc1-c1nnn[n-]1 ZINC000823767206 607319043 /nfs/dbraw/zinc/31/90/43/607319043.db2.gz PQRQXUVEVCXREH-UHFFFAOYSA-N -1 3 338.396 3.559 20 0 EHADHM c1sc(CNc2ccc3nc(C4CC4)oc3c2)cc1-c1nn[n-]n1 ZINC000823767206 607319044 /nfs/dbraw/zinc/31/90/44/607319044.db2.gz PQRQXUVEVCXREH-UHFFFAOYSA-N -1 3 338.396 3.559 20 0 EHADHM CC(C)(C)n1ncc2c1CCC[C@@H]2NCc1cccc(C(=O)[O-])c1 ZINC000819940562 598203188 /nfs/dbraw/zinc/20/31/88/598203188.db2.gz PYVHJXNISFITSV-INIZCTEOSA-N -1 3 327.428 3.504 20 0 EHADHM CC(C)(C)n1ncc2c1CCC[C@H]2NCc1cccc(C(=O)[O-])c1 ZINC000819940563 598203261 /nfs/dbraw/zinc/20/32/61/598203261.db2.gz PYVHJXNISFITSV-MRXNPFEDSA-N -1 3 327.428 3.504 20 0 EHADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCc2ccc3ccccc3c2)n1 ZINC000737242564 598241782 /nfs/dbraw/zinc/24/17/82/598241782.db2.gz WYCJPACSUDOAJR-UHFFFAOYSA-N -1 3 330.395 3.644 20 0 EHADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCc2ccc3ccccc3c2)n1 ZINC000737242564 598241784 /nfs/dbraw/zinc/24/17/84/598241784.db2.gz WYCJPACSUDOAJR-UHFFFAOYSA-N -1 3 330.395 3.644 20 0 EHADHM C[C@@H](Cc1ccc(Cl)cc1Cl)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736055418 598245036 /nfs/dbraw/zinc/24/50/36/598245036.db2.gz DYWTVBXWXMONQE-VIFPVBQESA-N -1 3 349.225 3.612 20 0 EHADHM C[C@@H](Cc1ccc(Cl)cc1Cl)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736055418 598245037 /nfs/dbraw/zinc/24/50/37/598245037.db2.gz DYWTVBXWXMONQE-VIFPVBQESA-N -1 3 349.225 3.612 20 0 EHADHM CN(Cc1cccs1)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736827962 598275259 /nfs/dbraw/zinc/27/52/59/598275259.db2.gz DREHZNBWIBNKGV-UHFFFAOYSA-N -1 3 339.346 3.583 20 0 EHADHM CN(Cc1cccs1)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736827962 598275262 /nfs/dbraw/zinc/27/52/62/598275262.db2.gz DREHZNBWIBNKGV-UHFFFAOYSA-N -1 3 339.346 3.583 20 0 EHADHM C[C@H](OC(=O)c1cc2ccccc2o1)c1cccc(-c2nnn[n-]2)c1 ZINC000736159418 598491848 /nfs/dbraw/zinc/49/18/48/598491848.db2.gz MXOBJWDMDNVUMP-NSHDSACASA-N -1 3 334.335 3.531 20 0 EHADHM C[C@H](OC(=O)c1cc2ccccc2o1)c1cccc(-c2nn[n-]n2)c1 ZINC000736159418 598491849 /nfs/dbraw/zinc/49/18/49/598491849.db2.gz MXOBJWDMDNVUMP-NSHDSACASA-N -1 3 334.335 3.531 20 0 EHADHM CCCCCC[C@H](C)CC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736448540 598494700 /nfs/dbraw/zinc/49/47/00/598494700.db2.gz ZRJPAEUNHWNAPN-HNNXBMFYSA-N -1 3 343.475 3.822 20 0 EHADHM CCCCCC[C@H](C)CC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736448540 598494701 /nfs/dbraw/zinc/49/47/01/598494701.db2.gz ZRJPAEUNHWNAPN-HNNXBMFYSA-N -1 3 343.475 3.822 20 0 EHADHM CCCCc1ccc(C(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000736466093 598540766 /nfs/dbraw/zinc/54/07/66/598540766.db2.gz JJZMZPBDGISBNS-UHFFFAOYSA-N -1 3 327.413 3.523 20 0 EHADHM CCCCc1ccc(C(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC000736466093 598540767 /nfs/dbraw/zinc/54/07/67/598540767.db2.gz JJZMZPBDGISBNS-UHFFFAOYSA-N -1 3 327.413 3.523 20 0 EHADHM CCCc1noc(-c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000736501135 598609623 /nfs/dbraw/zinc/60/96/23/598609623.db2.gz YQTJFYYKWRKGSN-UHFFFAOYSA-N -1 3 348.366 3.662 20 0 EHADHM Clc1ccc(-c2nnn[n-]2)c(NCCCOC2CCCCC2)c1 ZINC000737571176 598630844 /nfs/dbraw/zinc/63/08/44/598630844.db2.gz VJJOSHQKEIJFBI-UHFFFAOYSA-N -1 3 335.839 3.671 20 0 EHADHM Clc1ccc(-c2nn[n-]n2)c(NCCCOC2CCCCC2)c1 ZINC000737571176 598630846 /nfs/dbraw/zinc/63/08/46/598630846.db2.gz VJJOSHQKEIJFBI-UHFFFAOYSA-N -1 3 335.839 3.671 20 0 EHADHM O=Cc1c(OCc2ccc(F)cc2-c2nnn[n-]2)ccc2ccccc21 ZINC000738314217 598643954 /nfs/dbraw/zinc/64/39/54/598643954.db2.gz SRPBKURNPDJLES-UHFFFAOYSA-N -1 3 348.337 3.551 20 0 EHADHM O=Cc1c(OCc2ccc(F)cc2-c2nn[n-]n2)ccc2ccccc21 ZINC000738314217 598643956 /nfs/dbraw/zinc/64/39/56/598643956.db2.gz SRPBKURNPDJLES-UHFFFAOYSA-N -1 3 348.337 3.551 20 0 EHADHM CC(C)[C@@H](CC(=O)Nc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000735711240 598646538 /nfs/dbraw/zinc/64/65/38/598646538.db2.gz XETWQNCJWZVUKB-MRXNPFEDSA-N -1 3 335.411 3.635 20 0 EHADHM CC(C)[C@@H](CC(=O)Nc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000735711240 598646540 /nfs/dbraw/zinc/64/65/40/598646540.db2.gz XETWQNCJWZVUKB-MRXNPFEDSA-N -1 3 335.411 3.635 20 0 EHADHM Fc1ccc2c(c1)[C@H](Nc1ccc(-c3nnn[n-]3)c(Cl)c1)CC2 ZINC000737663871 598674315 /nfs/dbraw/zinc/67/43/15/598674315.db2.gz ACBMXVHPPCENNA-OAHLLOKOSA-N -1 3 329.766 3.759 20 0 EHADHM Fc1ccc2c(c1)[C@H](Nc1ccc(-c3nn[n-]n3)c(Cl)c1)CC2 ZINC000737663871 598674318 /nfs/dbraw/zinc/67/43/18/598674318.db2.gz ACBMXVHPPCENNA-OAHLLOKOSA-N -1 3 329.766 3.759 20 0 EHADHM Fc1ccc(CSC/C=C\c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000737651962 598695296 /nfs/dbraw/zinc/69/52/96/598695296.db2.gz ZSQIBCPLQRASRD-DAXSKMNVSA-N -1 3 326.400 3.952 20 0 EHADHM Fc1ccc(CSC/C=C\c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000737651962 598695298 /nfs/dbraw/zinc/69/52/98/598695298.db2.gz ZSQIBCPLQRASRD-DAXSKMNVSA-N -1 3 326.400 3.952 20 0 EHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1sccc1C1CC1 ZINC000738164347 598807830 /nfs/dbraw/zinc/80/78/30/598807830.db2.gz WKPKGIYLKMLAKO-UHFFFAOYSA-N -1 3 345.815 3.711 20 0 EHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1sccc1C1CC1 ZINC000738164347 598807832 /nfs/dbraw/zinc/80/78/32/598807832.db2.gz WKPKGIYLKMLAKO-UHFFFAOYSA-N -1 3 345.815 3.711 20 0 EHADHM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)c1ncccc1-c1nnn[n-]1 ZINC000736201309 598815023 /nfs/dbraw/zinc/81/50/23/598815023.db2.gz WXBDFHYCKHHCLD-SECBINFHSA-N -1 3 349.225 3.766 20 0 EHADHM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)c1ncccc1-c1nn[n-]n1 ZINC000736201309 598815024 /nfs/dbraw/zinc/81/50/24/598815024.db2.gz WXBDFHYCKHHCLD-SECBINFHSA-N -1 3 349.225 3.766 20 0 EHADHM C[C@@H](S[C@@H](C)c1nc(C2CC2)no1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187901 599326159 /nfs/dbraw/zinc/32/61/59/599326159.db2.gz CXIFTLAXSOIFBG-ZJUUUORDSA-N -1 3 342.428 3.683 20 0 EHADHM C[C@@H](S[C@@H](C)c1nc(C2CC2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187901 599326162 /nfs/dbraw/zinc/32/61/62/599326162.db2.gz CXIFTLAXSOIFBG-ZJUUUORDSA-N -1 3 342.428 3.683 20 0 EHADHM CCc1nc2cc(N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)ccc2o1 ZINC000821509351 599369757 /nfs/dbraw/zinc/36/97/57/599369757.db2.gz GXIDWIRREWVJAU-LLVKDONJSA-N -1 3 334.383 3.743 20 0 EHADHM CCc1nc2cc(N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)ccc2o1 ZINC000821509351 599369759 /nfs/dbraw/zinc/36/97/59/599369759.db2.gz GXIDWIRREWVJAU-LLVKDONJSA-N -1 3 334.383 3.743 20 0 EHADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1cc(-c2ccccc2)no1 ZINC000822128685 599386674 /nfs/dbraw/zinc/38/66/74/599386674.db2.gz FLNCRRMSYORRGI-UHFFFAOYSA-N -1 3 347.378 3.718 20 0 EHADHM CC[C@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccccc1 ZINC000736367371 599419502 /nfs/dbraw/zinc/41/95/02/599419502.db2.gz APEZCTCXGISIQN-INIZCTEOSA-N -1 3 330.395 3.978 20 0 EHADHM CC[C@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccccc1 ZINC000736367371 599419504 /nfs/dbraw/zinc/41/95/04/599419504.db2.gz APEZCTCXGISIQN-INIZCTEOSA-N -1 3 330.395 3.978 20 0 EHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1Cl ZINC000736139846 599440199 /nfs/dbraw/zinc/44/01/99/599440199.db2.gz RFXGRQSJALEPCO-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@H]1C[C@H]1c1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)o1 ZINC000820677710 599484336 /nfs/dbraw/zinc/48/43/36/599484336.db2.gz SAGZHAGNUSIIIS-JOYOIKCWSA-N -1 3 329.791 3.849 20 0 EHADHM C[C@H]1C[C@H]1c1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)o1 ZINC000820677710 599484333 /nfs/dbraw/zinc/48/43/33/599484333.db2.gz SAGZHAGNUSIIIS-JOYOIKCWSA-N -1 3 329.791 3.849 20 0 EHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1cccc(O)c1 ZINC000820456326 599516562 /nfs/dbraw/zinc/51/65/62/599516562.db2.gz SNVIFEJGYMPFSU-VIFPVBQESA-N -1 3 349.316 3.764 20 0 EHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1cccc(O)c1 ZINC000820456325 599516628 /nfs/dbraw/zinc/51/66/28/599516628.db2.gz SNVIFEJGYMPFSU-SECBINFHSA-N -1 3 349.316 3.764 20 0 EHADHM C[C@@H](NC(=O)CC/C=C\c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736103459 599542345 /nfs/dbraw/zinc/54/23/45/599542345.db2.gz WPRUJEBYASDVJU-HMZQOCAUSA-N -1 3 347.422 3.538 20 0 EHADHM C[C@@H](NC(=O)CC/C=C\c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736103459 599542346 /nfs/dbraw/zinc/54/23/46/599542346.db2.gz WPRUJEBYASDVJU-HMZQOCAUSA-N -1 3 347.422 3.538 20 0 EHADHM c1ccc2c(c1)ncc(-c1nnn[n-]1)c2N1CCC[C@@]2(CC=CCC2)C1 ZINC000819718470 599556716 /nfs/dbraw/zinc/55/67/16/599556716.db2.gz IODHTBASJJQAPB-FQEVSTJZSA-N -1 3 346.438 3.742 20 0 EHADHM c1ccc2c(c1)ncc(-c1nn[n-]n1)c2N1CCC[C@@]2(CC=CCC2)C1 ZINC000819718470 599556719 /nfs/dbraw/zinc/55/67/19/599556719.db2.gz IODHTBASJJQAPB-FQEVSTJZSA-N -1 3 346.438 3.742 20 0 EHADHM Clc1cccc(-c2nnn[n-]2)c1N[C@H]1CSc2ccccc21 ZINC000822581472 599562280 /nfs/dbraw/zinc/56/22/80/599562280.db2.gz IIOOCXFAHWJZIB-LBPRGKRZSA-N -1 3 329.816 3.779 20 0 EHADHM Clc1cccc(-c2nn[n-]n2)c1N[C@H]1CSc2ccccc21 ZINC000822581472 599562282 /nfs/dbraw/zinc/56/22/82/599562282.db2.gz IIOOCXFAHWJZIB-LBPRGKRZSA-N -1 3 329.816 3.779 20 0 EHADHM CC[C@@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000820926169 599571261 /nfs/dbraw/zinc/57/12/61/599571261.db2.gz PWIJRKFPIQPCHZ-CQSZACIVSA-N -1 3 333.317 3.847 20 0 EHADHM CC[C@@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1cc(F)ccc1F ZINC000820926169 599571263 /nfs/dbraw/zinc/57/12/63/599571263.db2.gz PWIJRKFPIQPCHZ-CQSZACIVSA-N -1 3 333.317 3.847 20 0 EHADHM C[C@H](OC(=O)CC/C=C\c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736148757 599617503 /nfs/dbraw/zinc/61/75/03/599617503.db2.gz HYUCWDYHRFOEOM-ANOSYLROSA-N -1 3 348.406 3.965 20 0 EHADHM C[C@H](OC(=O)CC/C=C\c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736148757 599617505 /nfs/dbraw/zinc/61/75/05/599617505.db2.gz HYUCWDYHRFOEOM-ANOSYLROSA-N -1 3 348.406 3.965 20 0 EHADHM O=C([O-])[C@H](NCc1ccc(F)cc1)c1ccccc1C(F)(F)F ZINC000739498624 599792011 /nfs/dbraw/zinc/79/20/11/599792011.db2.gz BHDWEAZVIBVIHB-CQSZACIVSA-N -1 3 327.277 3.760 20 0 EHADHM CCCCC[C@H](C)CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825265695 607426971 /nfs/dbraw/zinc/42/69/71/607426971.db2.gz ACKUVIYTUPHGCU-AWEZNQCLSA-N -1 3 341.459 3.579 20 0 EHADHM CCCCC[C@H](C)CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825265695 607426972 /nfs/dbraw/zinc/42/69/72/607426972.db2.gz ACKUVIYTUPHGCU-AWEZNQCLSA-N -1 3 341.459 3.579 20 0 EHADHM O=C([O-])[C@H]1CC12CCN(Cc1cc3ccccc3nc1Cl)CC2 ZINC000739533550 600308374 /nfs/dbraw/zinc/30/83/74/600308374.db2.gz ZTMRXENOPTWZFK-CQSZACIVSA-N -1 3 330.815 3.575 20 0 EHADHM O=C([O-])c1cccc(OCCN2CCS[C@H](c3ccccc3)C2)c1 ZINC000740232771 600413304 /nfs/dbraw/zinc/41/33/04/600413304.db2.gz WIWRRRWLZZLPMG-SFHVURJKSA-N -1 3 343.448 3.554 20 0 EHADHM COc1ccc2ccccc2c1CN[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738078647 600420993 /nfs/dbraw/zinc/42/09/93/600420993.db2.gz KLCJMAAWXWBWNZ-IBGZPJMESA-N -1 3 339.366 3.903 20 0 EHADHM O=C([O-])[C@@H](NCc1cc(F)cc(Br)c1)c1ccccc1 ZINC000093996288 600426284 /nfs/dbraw/zinc/42/62/84/600426284.db2.gz VVLPPZOMZMKUGH-AWEZNQCLSA-N -1 3 338.176 3.504 20 0 EHADHM COc1ccccc1-c1nc(CN(CCC(=O)[O-])CC(C)C)cs1 ZINC000522007678 600712604 /nfs/dbraw/zinc/71/26/04/600712604.db2.gz IEVIIRFWDMLHGX-UHFFFAOYSA-N -1 3 348.468 3.751 20 0 EHADHM C[C@H](CN[C@@H](C(=O)[O-])c1ccccc1F)Oc1ccccc1Cl ZINC000827503509 600756111 /nfs/dbraw/zinc/75/61/11/600756111.db2.gz XWOIXRQYHIKREJ-BDJLRTHQSA-N -1 3 337.778 3.662 20 0 EHADHM O=C([O-])[C@@H](c1ccc(Cl)cc1Cl)N1CCC2(C1)CCOCC2 ZINC000572967855 601050378 /nfs/dbraw/zinc/05/03/78/601050378.db2.gz UAEDVKYUZFMMSZ-CQSZACIVSA-N -1 3 344.238 3.622 20 0 EHADHM C/C(=C\CN1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1)C(=O)[O-] ZINC000825736413 601156025 /nfs/dbraw/zinc/15/60/25/601156025.db2.gz YJOVEGOEULPQBC-LZYBPNLTSA-N -1 3 343.467 3.811 20 0 EHADHM CC[C@@](NCc1ccc(OC)cc1Cl)(C(=O)[O-])c1ccccc1 ZINC000828989233 601380449 /nfs/dbraw/zinc/38/04/49/601380449.db2.gz VACBKYABLKHIGT-SFHVURJKSA-N -1 3 333.815 3.828 20 0 EHADHM O=C([O-])c1ccc(CN(Cc2ccccc2)C[C@@H]2CCCO2)cc1F ZINC000833315071 601621393 /nfs/dbraw/zinc/62/13/93/601621393.db2.gz PHCCHNFLYJRYCO-KRWDZBQOSA-N -1 3 343.398 3.705 20 0 EHADHM O=C([O-])c1ccc(CN2CCC(Oc3ccc(F)cc3)CC2)s1 ZINC000652404329 601957060 /nfs/dbraw/zinc/95/70/60/601957060.db2.gz JYISMUNVUCUHHR-UHFFFAOYSA-N -1 3 335.400 3.629 20 0 EHADHM COc1cc(OC)cc([C@H](N[C@H](C)c2ccc(C)c(C)c2)C(=O)[O-])c1 ZINC000832049904 602169694 /nfs/dbraw/zinc/16/96/94/602169694.db2.gz KZCYKMGOUQUAFQ-KUHUBIRLSA-N -1 3 343.423 3.797 20 0 EHADHM COc1cc(OC)cc([C@H](N[C@@H](C)c2ccc(F)c(C)c2)C(=O)[O-])c1 ZINC000832050123 602176404 /nfs/dbraw/zinc/17/64/04/602176404.db2.gz MSICYRQWIVKQFR-SGTLLEGYSA-N -1 3 347.386 3.628 20 0 EHADHM Cc1ccccc1Nc1nc(CN[C@H](C(=O)[O-])C(C)(C)C)cs1 ZINC000832979837 602229039 /nfs/dbraw/zinc/22/90/39/602229039.db2.gz VYVZBRJPGIEKFL-CQSZACIVSA-N -1 3 333.457 3.784 20 0 EHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)c1cccc(C(C)C)c1 ZINC000826243527 607672040 /nfs/dbraw/zinc/67/20/40/607672040.db2.gz LFOMJXKWYVWWQW-UHFFFAOYSA-N -1 3 335.411 3.575 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)c1cccc(C(C)C)c1 ZINC000826243527 607672041 /nfs/dbraw/zinc/67/20/41/607672041.db2.gz LFOMJXKWYVWWQW-UHFFFAOYSA-N -1 3 335.411 3.575 20 0 EHADHM C[C@@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1cc(Cl)ccc1OC(F)F ZINC000827716987 604290753 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Clc1cccc2c1CC[C@H]2Sc1ccc(-c2nn[n-]n2)cn1 ZINC000826353099 607712304 /nfs/dbraw/zinc/71/23/04/607712304.db2.gz BDTNXAHPNKBGTH-CYBMUJFWSA-N -1 3 329.816 3.695 20 0 EHADHM C[C@]1(NCc2nc(-c3ccc(Cl)cc3)no2)CCCC[C@@H]1C(=O)[O-] ZINC000833570902 604819254 /nfs/dbraw/zinc/81/92/54/604819254.db2.gz VIQFUTQAYUXSQW-DYVFJYSZSA-N -1 3 349.818 3.513 20 0 EHADHM O=C([O-])N1CCC[C@@H](CN2CCCC[C@H]2c2nc3ccccc3o2)C1 ZINC000831981395 604838514 /nfs/dbraw/zinc/83/85/14/604838514.db2.gz WSBMZTZBPAXZHU-HOCLYGCPSA-N -1 3 343.427 3.745 20 0 EHADHM O=C([O-])[C@H](NCc1ccc(OC2CCCCC2)cc1)c1cccnc1 ZINC000833170622 605000384 /nfs/dbraw/zinc/00/03/84/605000384.db2.gz ZOTMPULCSOSSDK-LJQANCHMSA-N -1 3 340.423 3.709 20 0 EHADHM CC(C)COc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2cccnc2)cc1 ZINC000826900362 605006468 /nfs/dbraw/zinc/00/64/68/605006468.db2.gz BMJCOWOSLGYJRV-KDOFPFPSSA-N -1 3 328.412 3.593 20 0 EHADHM C[C@@H]1C[C@@H]1[C@@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccc(Cl)cc1 ZINC000833603659 605079666 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CC[C@@H](C)c1ccccc1OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820882144 606461142 /nfs/dbraw/zinc/46/11/42/606461142.db2.gz KRIMJRNUDQRECO-SNVBAGLBSA-N -1 3 328.397 3.661 20 0 EHADHM CC[C@@H](C)c1ccccc1OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820882144 606461143 /nfs/dbraw/zinc/46/11/43/606461143.db2.gz KRIMJRNUDQRECO-SNVBAGLBSA-N -1 3 328.397 3.661 20 0 EHADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc2ccccc2c1 ZINC000820391453 606481166 /nfs/dbraw/zinc/48/11/66/606481166.db2.gz QBGWWUXZHGFBGR-NSHDSACASA-N -1 3 349.419 3.572 20 0 EHADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc2ccccc2c1 ZINC000820391453 606481168 /nfs/dbraw/zinc/48/11/68/606481168.db2.gz QBGWWUXZHGFBGR-NSHDSACASA-N -1 3 349.419 3.572 20 0 EHADHM CC(C)C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1cccs1 ZINC000820054611 606496756 /nfs/dbraw/zinc/49/67/56/606496756.db2.gz CISJIRRSBHBDLI-LLVKDONJSA-N -1 3 347.469 3.507 20 0 EHADHM CC(C)C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1cccs1 ZINC000820054611 606496758 /nfs/dbraw/zinc/49/67/58/606496758.db2.gz CISJIRRSBHBDLI-LLVKDONJSA-N -1 3 347.469 3.507 20 0 EHADHM FC(F)(F)[C@@H]1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000822714366 606595439 /nfs/dbraw/zinc/59/54/39/606595439.db2.gz MEXSSTKVDPBGPF-ZYHUDNBSSA-N -1 3 325.338 3.647 20 0 EHADHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cc2cccc(Cl)c2o1 ZINC000823368027 606601763 /nfs/dbraw/zinc/60/17/63/606601763.db2.gz RUCXZTWRTPRWKI-UHFFFAOYSA-N -1 3 339.742 3.519 20 0 EHADHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cc2cccc(Cl)c2o1 ZINC000823368027 606601764 /nfs/dbraw/zinc/60/17/64/606601764.db2.gz RUCXZTWRTPRWKI-UHFFFAOYSA-N -1 3 339.742 3.519 20 0 EHADHM CC1(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)CCC1 ZINC000820577180 606624780 /nfs/dbraw/zinc/62/47/80/606624780.db2.gz MMLHTYVWYFWZNP-UHFFFAOYSA-N -1 3 334.379 3.629 20 0 EHADHM CC1(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)CCC1 ZINC000820577180 606624782 /nfs/dbraw/zinc/62/47/82/606624782.db2.gz MMLHTYVWYFWZNP-UHFFFAOYSA-N -1 3 334.379 3.629 20 0 EHADHM CC(C)c1cnc(CSc2ccc(Cl)cc2-c2nnn[n-]2)o1 ZINC000820198467 606628266 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C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)c1nc(C2CC2)no1 ZINC000820548718 606850774 /nfs/dbraw/zinc/85/07/74/606850774.db2.gz FUGFFXOBBRRXRC-ZETCQYMHSA-N -1 3 348.819 3.634 20 0 EHADHM COc1cccc(CSc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000821872352 606851475 /nfs/dbraw/zinc/85/14/75/606851475.db2.gz LBQZXDRRUCYCIM-UHFFFAOYSA-N -1 3 332.816 3.821 20 0 EHADHM COc1cccc(CSc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000821872352 606851476 /nfs/dbraw/zinc/85/14/76/606851476.db2.gz LBQZXDRRUCYCIM-UHFFFAOYSA-N -1 3 332.816 3.821 20 0 EHADHM Fc1ccc(CNc2ccccc2C(F)(F)F)cc1-c1nnn[n-]1 ZINC000822771349 606928293 /nfs/dbraw/zinc/92/82/93/606928293.db2.gz GEIPBVXKGDJOTL-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Fc1ccc(CNc2ccccc2C(F)(F)F)cc1-c1nn[n-]n1 ZINC000822771349 606928295 /nfs/dbraw/zinc/92/82/95/606928295.db2.gz GEIPBVXKGDJOTL-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM CC=C(C=CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C)CC ZINC000820825704 607012507 /nfs/dbraw/zinc/01/25/07/607012507.db2.gz BLMOXKKJOZTBIV-BJAFGXCTSA-N -1 3 339.443 3.516 20 0 EHADHM CC=C(C=CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C)CC ZINC000820825704 607012508 /nfs/dbraw/zinc/01/25/08/607012508.db2.gz BLMOXKKJOZTBIV-BJAFGXCTSA-N -1 3 339.443 3.516 20 0 EHADHM c1ccc(CCOCCCSc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823780342 607012700 /nfs/dbraw/zinc/01/27/00/607012700.db2.gz QYVKISQBGPXNEM-UHFFFAOYSA-N -1 3 340.452 3.608 20 0 EHADHM c1ccc(CCOCCCSc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823780342 607012702 /nfs/dbraw/zinc/01/27/02/607012702.db2.gz QYVKISQBGPXNEM-UHFFFAOYSA-N -1 3 340.452 3.608 20 0 EHADHM C[C@@H](c1ccccc1)n1ccc(Nc2cccc(F)c2-c2nnn[n-]2)n1 ZINC000820570406 607118890 /nfs/dbraw/zinc/11/88/90/607118890.db2.gz JGPNELQDMQPMQV-LBPRGKRZSA-N -1 3 349.373 3.555 20 0 EHADHM C[C@@H](c1ccccc1)n1ccc(Nc2cccc(F)c2-c2nn[n-]n2)n1 ZINC000820570406 607118892 /nfs/dbraw/zinc/11/88/92/607118892.db2.gz JGPNELQDMQPMQV-LBPRGKRZSA-N -1 3 349.373 3.555 20 0 EHADHM Cc1coc(-c2ccc(C)c(NCc3ccccc3-c3nnn[n-]3)c2)n1 ZINC000822402830 607125496 /nfs/dbraw/zinc/12/54/96/607125496.db2.gz IKHNUINMKGPXHS-UHFFFAOYSA-N -1 3 346.394 3.751 20 0 EHADHM Cc1coc(-c2ccc(C)c(NCc3ccccc3-c3nn[n-]n3)c2)n1 ZINC000822402830 607125497 /nfs/dbraw/zinc/12/54/97/607125497.db2.gz IKHNUINMKGPXHS-UHFFFAOYSA-N -1 3 346.394 3.751 20 0 EHADHM CCCCC[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821049226 607198279 /nfs/dbraw/zinc/19/82/79/607198279.db2.gz JCFVEQVEOGQMJH-SNVBAGLBSA-N -1 3 336.827 3.610 20 0 EHADHM CCCCC[C@@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821049226 607198280 /nfs/dbraw/zinc/19/82/80/607198280.db2.gz JCFVEQVEOGQMJH-SNVBAGLBSA-N -1 3 336.827 3.610 20 0 EHADHM Cc1sc(NC(=O)C2CCC(C)(C)CC2)c(-c2nnn[n-]2)c1C ZINC000822557959 607235736 /nfs/dbraw/zinc/23/57/36/607235736.db2.gz LAHKMKBJTXFASO-UHFFFAOYSA-N -1 3 333.461 3.700 20 0 EHADHM Cc1sc(NC(=O)C2CCC(C)(C)CC2)c(-c2nn[n-]n2)c1C ZINC000822557959 607235737 /nfs/dbraw/zinc/23/57/37/607235737.db2.gz LAHKMKBJTXFASO-UHFFFAOYSA-N -1 3 333.461 3.700 20 0 EHADHM CC1CCC(=CC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000820674020 607241335 /nfs/dbraw/zinc/24/13/35/607241335.db2.gz AORCVXSNIXAUPF-UHFFFAOYSA-N -1 3 331.807 3.595 20 0 EHADHM CC1CCC(=CC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000820674020 607241336 /nfs/dbraw/zinc/24/13/36/607241336.db2.gz AORCVXSNIXAUPF-UHFFFAOYSA-N -1 3 331.807 3.595 20 0 EHADHM CCC(C)(C)c1ccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1 ZINC000825044063 607801278 /nfs/dbraw/zinc/80/12/78/607801278.db2.gz NFODAZLMMSEVNZ-UHFFFAOYSA-N -1 3 349.438 3.831 20 0 EHADHM CCC(C)(C)c1ccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1 ZINC000825044063 607801279 /nfs/dbraw/zinc/80/12/79/607801279.db2.gz NFODAZLMMSEVNZ-UHFFFAOYSA-N -1 3 349.438 3.831 20 0 EHADHM Cc1nnc([C@H](C)Sc2ccc(-c3nnn[n-]3)cc2Cl)s1 ZINC000826335646 608144188 /nfs/dbraw/zinc/14/41/88/608144188.db2.gz WBEYEHOSGNYJPG-LURJTMIESA-N -1 3 338.849 3.533 20 0 EHADHM Cc1nnc([C@H](C)Sc2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000826335646 608144189 /nfs/dbraw/zinc/14/41/89/608144189.db2.gz WBEYEHOSGNYJPG-LURJTMIESA-N -1 3 338.849 3.533 20 0 EHADHM CC(C)(C)[C@H]1C[C@@H](Nc2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000824077940 608149141 /nfs/dbraw/zinc/14/91/41/608149141.db2.gz FTXKHAVPHRQKBX-SMDDNHRTSA-N -1 3 335.839 3.526 20 0 EHADHM CC(C)(C)[C@H]1C[C@@H](Nc2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000824077940 608149142 /nfs/dbraw/zinc/14/91/42/608149142.db2.gz FTXKHAVPHRQKBX-SMDDNHRTSA-N -1 3 335.839 3.526 20 0 EHADHM Cc1ccc([C@H](C)Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)s1 ZINC000826283603 608223363 /nfs/dbraw/zinc/22/33/63/608223363.db2.gz VMANZIVQYDEQFE-NSHDSACASA-N -1 3 336.424 3.958 20 0 EHADHM Cc1ccc([C@H](C)Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)s1 ZINC000826283603 608223364 /nfs/dbraw/zinc/22/33/64/608223364.db2.gz VMANZIVQYDEQFE-NSHDSACASA-N -1 3 336.424 3.958 20 0 EHADHM CC[C@@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1c(C)noc1C ZINC000825147331 608234686 /nfs/dbraw/zinc/23/46/86/608234686.db2.gz IHCPFYBBZGRASS-CQSZACIVSA-N -1 3 349.398 3.583 20 0 EHADHM CC[C@@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1c(C)noc1C ZINC000825147331 608234688 /nfs/dbraw/zinc/23/46/88/608234688.db2.gz IHCPFYBBZGRASS-CQSZACIVSA-N -1 3 349.398 3.583 20 0 EHADHM c1csc(CCCNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000826526271 608236595 /nfs/dbraw/zinc/23/65/95/608236595.db2.gz RMZOLJIHZOUKQF-UHFFFAOYSA-N -1 3 336.424 3.521 20 0 EHADHM c1csc(CCCNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC000826526271 608236597 /nfs/dbraw/zinc/23/65/97/608236597.db2.gz RMZOLJIHZOUKQF-UHFFFAOYSA-N -1 3 336.424 3.521 20 0 EHADHM C[C@H](NC(=O)Nc1ccc(C2CC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824506052 608272343 /nfs/dbraw/zinc/27/23/43/608272343.db2.gz KFTDARUKCLXHQH-LBPRGKRZSA-N -1 3 348.410 3.627 20 0 EHADHM C[C@H](NC(=O)Nc1ccc(C2CC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824506052 608272345 /nfs/dbraw/zinc/27/23/45/608272345.db2.gz KFTDARUKCLXHQH-LBPRGKRZSA-N -1 3 348.410 3.627 20 0 EHADHM CCN(C(=O)CC(C)(C)CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367035 608343893 /nfs/dbraw/zinc/34/38/93/608343893.db2.gz IGZUNOCACSJSIO-UHFFFAOYSA-N -1 3 335.839 3.699 20 0 EHADHM CCN(C(=O)CC(C)(C)CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367035 608343895 /nfs/dbraw/zinc/34/38/95/608343895.db2.gz IGZUNOCACSJSIO-UHFFFAOYSA-N -1 3 335.839 3.699 20 0 EHADHM COCc1cccc(CSCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826164502 608404403 /nfs/dbraw/zinc/40/44/03/608404403.db2.gz CUQXCNMJMXYVFV-UHFFFAOYSA-N -1 3 344.415 3.586 20 0 EHADHM COCc1cccc(CSCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826164502 608404405 /nfs/dbraw/zinc/40/44/05/608404405.db2.gz CUQXCNMJMXYVFV-UHFFFAOYSA-N -1 3 344.415 3.586 20 0 EHADHM CC(C)c1ccccc1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824352990 608572852 /nfs/dbraw/zinc/57/28/52/608572852.db2.gz SLLFJWQPYWAJKX-UHFFFAOYSA-N -1 3 341.802 3.896 20 0 EHADHM CC(C)c1ccccc1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824352990 608572854 /nfs/dbraw/zinc/57/28/54/608572854.db2.gz SLLFJWQPYWAJKX-UHFFFAOYSA-N -1 3 341.802 3.896 20 0 EHADHM C[C@H](c1ccccc1Cl)N(C)Cc1cccc(-c2nnn[n-]2)c1F ZINC000824770837 608643377 /nfs/dbraw/zinc/64/33/77/608643377.db2.gz NBWPFVWDKYVBEA-LLVKDONJSA-N -1 3 345.809 3.852 20 0 EHADHM C[C@H](c1ccccc1Cl)N(C)Cc1cccc(-c2nn[n-]n2)c1F ZINC000824770837 608643378 /nfs/dbraw/zinc/64/33/78/608643378.db2.gz NBWPFVWDKYVBEA-LLVKDONJSA-N -1 3 345.809 3.852 20 0 EHADHM Fc1ccc([C@H]2CCCN2Cc2cc(-c3nnn[n-]3)cs2)cc1F ZINC000826374350 608701788 /nfs/dbraw/zinc/70/17/88/608701788.db2.gz WETWZIGYTOIIQK-OAHLLOKOSA-N -1 3 347.394 3.544 20 0 EHADHM Fc1ccc([C@H]2CCCN2Cc2cc(-c3nn[n-]n3)cs2)cc1F ZINC000826374350 608701790 /nfs/dbraw/zinc/70/17/90/608701790.db2.gz WETWZIGYTOIIQK-OAHLLOKOSA-N -1 3 347.394 3.544 20 0 EHADHM C[C@H](Nc1nccc2ccc(F)cc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000824671112 608771523 /nfs/dbraw/zinc/77/15/23/608771523.db2.gz XGCGMCAZGVLQME-NSHDSACASA-N -1 3 334.358 3.727 20 0 EHADHM C[C@H](Nc1nccc2ccc(F)cc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000824671112 608771524 /nfs/dbraw/zinc/77/15/24/608771524.db2.gz XGCGMCAZGVLQME-NSHDSACASA-N -1 3 334.358 3.727 20 0 EHADHM Fc1ccc(CNc2cccc(-c3nnn[n-]3)c2)cc1C(F)(F)F ZINC000378907539 608867569 /nfs/dbraw/zinc/86/75/69/608867569.db2.gz ZTQGMPNBOXJVEK-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Fc1ccc(CNc2cccc(-c3nn[n-]n3)c2)cc1C(F)(F)F ZINC000378907539 608867570 /nfs/dbraw/zinc/86/75/70/608867570.db2.gz ZTQGMPNBOXJVEK-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM CCOc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c(C)c1 ZINC000825642756 609160438 /nfs/dbraw/zinc/16/04/38/609160438.db2.gz AYKCADMAJGSFCT-LBPRGKRZSA-N -1 3 341.390 3.886 20 0 EHADHM CCOc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c(C)c1 ZINC000825642756 609160440 /nfs/dbraw/zinc/16/04/40/609160440.db2.gz AYKCADMAJGSFCT-LBPRGKRZSA-N -1 3 341.390 3.886 20 0 EHADHM COc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1Cl ZINC000826210056 609161313 /nfs/dbraw/zinc/16/13/13/609161313.db2.gz CDRTXYAPNCPPCB-VIFPVBQESA-N -1 3 347.781 3.841 20 0 EHADHM COc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1Cl ZINC000826210056 609161314 /nfs/dbraw/zinc/16/13/14/609161314.db2.gz CDRTXYAPNCPPCB-VIFPVBQESA-N -1 3 347.781 3.841 20 0 EHADHM C[C@@H](Nc1ccccc1OC(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000824662703 609273377 /nfs/dbraw/zinc/27/33/77/609273377.db2.gz PUNGHRCMVROQLJ-SNVBAGLBSA-N -1 3 349.316 3.938 20 0 EHADHM C[C@@H](Nc1ccccc1OC(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824662703 609273378 /nfs/dbraw/zinc/27/33/78/609273378.db2.gz PUNGHRCMVROQLJ-SNVBAGLBSA-N -1 3 349.316 3.938 20 0 EHADHM CCc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000825717601 609347752 /nfs/dbraw/zinc/34/77/52/609347752.db2.gz NOKUWANIZAZKCT-SNVBAGLBSA-N -1 3 329.354 3.880 20 0 EHADHM CCc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000825717601 609347753 /nfs/dbraw/zinc/34/77/53/609347753.db2.gz NOKUWANIZAZKCT-SNVBAGLBSA-N -1 3 329.354 3.880 20 0 EHADHM Cc1nn(-c2ccccc2)cc1N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826333020 609351706 /nfs/dbraw/zinc/35/17/06/609351706.db2.gz QNUQKYRIFBVBAU-CYBMUJFWSA-N -1 3 345.410 3.534 20 0 EHADHM Cc1nn(-c2ccccc2)cc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826333020 609351709 /nfs/dbraw/zinc/35/17/09/609351709.db2.gz QNUQKYRIFBVBAU-CYBMUJFWSA-N -1 3 345.410 3.534 20 0 EHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1ccc(Cl)o1 ZINC000824323957 609475850 /nfs/dbraw/zinc/47/58/50/609475850.db2.gz DTRAZHDRVFXLKY-UHFFFAOYSA-N -1 3 333.779 3.512 20 0 EHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1ccc(Cl)o1 ZINC000824323957 609475851 /nfs/dbraw/zinc/47/58/51/609475851.db2.gz DTRAZHDRVFXLKY-UHFFFAOYSA-N -1 3 333.779 3.512 20 0 EHADHM c1coc(CNc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)c1 ZINC000826516527 609485464 /nfs/dbraw/zinc/48/54/64/609485464.db2.gz NZLNQAXLALGSLW-UHFFFAOYSA-N -1 3 347.378 3.651 20 0 EHADHM c1coc(CNc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)c1 ZINC000826516527 609485465 /nfs/dbraw/zinc/48/54/65/609485465.db2.gz NZLNQAXLALGSLW-UHFFFAOYSA-N -1 3 347.378 3.651 20 0 EHADHM CC[C@H](C)CCCCC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825061931 609504672 /nfs/dbraw/zinc/50/46/72/609504672.db2.gz ZRRNCZKYXWFBQF-UONOGXRCSA-N -1 3 329.448 3.650 20 0 EHADHM CC[C@H](C)CCCCC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825061931 609504673 /nfs/dbraw/zinc/50/46/73/609504673.db2.gz ZRRNCZKYXWFBQF-UONOGXRCSA-N -1 3 329.448 3.650 20 0 EHADHM Cc1c(Cl)cnc(NCc2ccc([C@@H]3C[C@H]3C)o2)c1-c1nnn[n-]1 ZINC000826240481 609537275 /nfs/dbraw/zinc/53/72/75/609537275.db2.gz VKBHHWUNPBSYQH-LDYMZIIASA-N -1 3 344.806 3.552 20 0 EHADHM Cc1c(Cl)cnc(NCc2ccc([C@@H]3C[C@H]3C)o2)c1-c1nn[n-]n1 ZINC000826240481 609537279 /nfs/dbraw/zinc/53/72/79/609537279.db2.gz VKBHHWUNPBSYQH-LDYMZIIASA-N -1 3 344.806 3.552 20 0 EHADHM Cc1cccc([C@@H]2CCCN2c2nccc(C)c2-c2nnn[n-]2)c1C ZINC000826297705 609559139 /nfs/dbraw/zinc/55/91/39/609559139.db2.gz PKAGJSPXTNXPGU-INIZCTEOSA-N -1 3 334.427 3.528 20 0 EHADHM Cc1cccc([C@@H]2CCCN2c2nccc(C)c2-c2nn[n-]n2)c1C ZINC000826297705 609559140 /nfs/dbraw/zinc/55/91/40/609559140.db2.gz PKAGJSPXTNXPGU-INIZCTEOSA-N -1 3 334.427 3.528 20 0 EHADHM O=C([O-])[C@H](NCc1ccc(F)c(C(F)(F)F)c1)c1ccccc1 ZINC000321824358 970812846 /nfs/dbraw/zinc/81/28/46/970812846.db2.gz DTEUTUOJGMAHRG-CQSZACIVSA-N -1 3 327.277 3.760 20 0 EHADHM CCC(=CC(=O)Nc1ccccc1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000736302411 944791951 /nfs/dbraw/zinc/79/19/51/944791951.db2.gz FIAHWGKIAGYUNE-WYMLVPIESA-N -1 3 333.395 3.607 20 0 EHADHM CCC(=CC(=O)Nc1ccccc1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000736302411 944791958 /nfs/dbraw/zinc/79/19/58/944791958.db2.gz FIAHWGKIAGYUNE-WYMLVPIESA-N -1 3 333.395 3.607 20 0 EHADHM CC[C@@H](C)c1ccccc1OC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820882157 945581977 /nfs/dbraw/zinc/58/19/77/945581977.db2.gz LCBFZUUIVJKIJG-CYBMUJFWSA-N -1 3 336.395 3.528 20 0 EHADHM CC[C@@H](C)c1ccccc1OC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820882157 945581985 /nfs/dbraw/zinc/58/19/85/945581985.db2.gz LCBFZUUIVJKIJG-CYBMUJFWSA-N -1 3 336.395 3.528 20 0 EHADHM CC(C)c1cnc(CSc2cccc(Cl)c2-c2nnn[n-]2)o1 ZINC000824352458 946666973 /nfs/dbraw/zinc/66/69/73/946666973.db2.gz DYEVHGCVQGAOAY-UHFFFAOYSA-N -1 3 335.820 3.924 20 0 EHADHM CC(C)c1cnc(CSc2cccc(Cl)c2-c2nn[n-]n2)o1 ZINC000824352458 946666979 /nfs/dbraw/zinc/66/69/79/946666979.db2.gz DYEVHGCVQGAOAY-UHFFFAOYSA-N -1 3 335.820 3.924 20 0 EHADHM C[C@H](NC(=O)C(C)(C)C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824470710 946723188 /nfs/dbraw/zinc/72/31/88/946723188.db2.gz LDNLUGJURQJVFG-ZDUSSCGKSA-N -1 3 349.438 3.757 20 0 EHADHM C[C@H](NC(=O)C(C)(C)C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824470710 946723194 /nfs/dbraw/zinc/72/31/94/946723194.db2.gz LDNLUGJURQJVFG-ZDUSSCGKSA-N -1 3 349.438 3.757 20 0 EHADHM C[C@H]1CCC(=CC(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)C1 ZINC000824899099 946980307 /nfs/dbraw/zinc/98/03/07/946980307.db2.gz IAMRFYXOEBUKGQ-DFYQSJSGSA-N -1 3 345.472 3.911 20 0 EHADHM C[C@H]1CCC(=CC(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)C1 ZINC000824899099 946980319 /nfs/dbraw/zinc/98/03/19/946980319.db2.gz IAMRFYXOEBUKGQ-DFYQSJSGSA-N -1 3 345.472 3.911 20 0 EHADHM C[C@H]1CC/C(=C/C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)C1 ZINC000824899099 946980328 /nfs/dbraw/zinc/98/03/28/946980328.db2.gz IAMRFYXOEBUKGQ-DFYQSJSGSA-N -1 3 345.472 3.911 20 0 EHADHM FC(F)C(F)(F)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826369873 948153150 /nfs/dbraw/zinc/15/31/50/948153150.db2.gz ULYNRDAXOTUFKE-UHFFFAOYSA-N -1 3 326.706 3.513 20 0 EHADHM FC(F)C(F)(F)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826369873 948153155 /nfs/dbraw/zinc/15/31/55/948153155.db2.gz ULYNRDAXOTUFKE-UHFFFAOYSA-N -1 3 326.706 3.513 20 0 EHADHM C[C@H](C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1)c1cccs1 ZINC001573756188 948801127 /nfs/dbraw/zinc/80/11/27/948801127.db2.gz NJVGCEKKRZSOBJ-JTQLQIEISA-N -1 3 339.424 3.548 20 0 EHADHM C[C@H](C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1)c1cccs1 ZINC001573756188 948801143 /nfs/dbraw/zinc/80/11/43/948801143.db2.gz NJVGCEKKRZSOBJ-JTQLQIEISA-N -1 3 339.424 3.548 20 0 EHADHM CC(C)c1csc(SCc2ccc(F)cc2-c2nnn[n-]2)n1 ZINC001574424122 948843469 /nfs/dbraw/zinc/84/34/69/948843469.db2.gz FSCIFVWXVWYLHG-UHFFFAOYSA-N -1 3 335.433 3.878 20 0 EHADHM CC(C)c1csc(SCc2ccc(F)cc2-c2nn[n-]n2)n1 ZINC001574424122 948843481 /nfs/dbraw/zinc/84/34/81/948843481.db2.gz FSCIFVWXVWYLHG-UHFFFAOYSA-N -1 3 335.433 3.878 20 0 EHADHM 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20 0 EHADHM CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000339007441 1136909983 /nfs/dbraw/zinc/90/99/83/1136909983.db2.gz QQODXRLILSLWRF-UHFFFAOYSA-N -1 3 339.178 3.910 20 0 EHADHM O=C(Nc1ccc(Cl)cc1[O-])c1cncn1-c1ccc(F)cc1 ZINC000339007758 1136910244 /nfs/dbraw/zinc/91/02/44/1136910244.db2.gz VXLHHPPNELVCGU-UHFFFAOYSA-N -1 3 331.734 3.623 20 0 EHADHM Cc1ccccc1-n1cc(C(=O)Nc2ccc(Cl)cc2[O-])cn1 ZINC000339007693 1136910377 /nfs/dbraw/zinc/91/03/77/1136910377.db2.gz UIQBYOHJZVEPCL-UHFFFAOYSA-N -1 3 327.771 3.792 20 0 EHADHM CC[C@@H]([N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1)c1ccccn1 ZINC000822993231 1137082480 /nfs/dbraw/zinc/08/24/80/1137082480.db2.gz HBAMXUJEVXNIEX-GFCCVEGCSA-N -1 3 339.773 3.798 20 0 EHADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000825106040 1137163532 /nfs/dbraw/zinc/16/35/32/1137163532.db2.gz TVMGSRZLVBOOSV-AWEZNQCLSA-N -1 3 335.407 3.597 20 0 EHADHM Cc1ccc(N(CC2CC2)C(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1F ZINC000863601987 1137193862 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CC(C)Cc1nnc([N-]C(=O)c2cc3c(ccnc3Cl)o2)s1 ZINC000864968697 1137255509 /nfs/dbraw/zinc/25/55/09/1137255509.db2.gz JLWZXPYFQVIEDH-UHFFFAOYSA-N -1 3 336.804 3.784 20 0 EHADHM CNc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001144631523 1137320865 /nfs/dbraw/zinc/32/08/65/1137320865.db2.gz SFIWYOIJXQWLAF-UHFFFAOYSA-N -1 3 342.292 3.773 20 0 EHADHM CC(C)(C)[C@H](COc1ccccc1F)NC(=O)c1ccccc1[O-] ZINC001145066613 1137384892 /nfs/dbraw/zinc/38/48/92/1137384892.db2.gz VYUIJARASGUITO-KRWDZBQOSA-N -1 3 331.387 3.755 20 0 EHADHM C[C@@H](NC(=O)c1c([O-])cccc1F)c1nc2ccc(Cl)cc2[nH]1 ZINC000772962860 1137386614 /nfs/dbraw/zinc/38/66/14/1137386614.db2.gz HWXVNAKXIWUSQV-MRVPVSSYSA-N -1 3 333.750 3.552 20 0 EHADHM CC[C@H](C)[C@@](C)(O)CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001146508293 1137390950 /nfs/dbraw/zinc/39/09/50/1137390950.db2.gz XRJHHEXCVVMJTL-XOBRGWDASA-N -1 3 343.423 3.711 20 0 EHADHM COc1cccc(C(=O)Nc2ccccc2C(=O)OC(C)(C)C)c1[O-] ZINC001148202528 1137420398 /nfs/dbraw/zinc/42/03/98/1137420398.db2.gz QCXBMOAYVXEVHW-UHFFFAOYSA-N -1 3 343.379 3.608 20 0 EHADHM Cc1ccc(C(=O)N2CCC3(CC2)O[C@@H](C)c2ccccc23)c([O-])c1 ZINC001148500786 1137426945 /nfs/dbraw/zinc/42/69/45/1137426945.db2.gz VYXJBGAFFWKGLT-HNNXBMFYSA-N -1 3 337.419 3.923 20 0 EHADHM Cc1ccc(C(=O)N[C@H]2CC[C@@H](OCc3ccccc3)CC2)c([O-])c1 ZINC001148506946 1137427323 /nfs/dbraw/zinc/42/73/23/1137427323.db2.gz HKNGVQOAPWMCJI-HDICACEKSA-N -1 3 339.435 3.958 20 0 EHADHM Cc1c(F)c(C)c(F)c(C(=O)[N-]c2cc(C(F)(F)F)no2)c1F ZINC001148752358 1137434050 /nfs/dbraw/zinc/43/40/50/1137434050.db2.gz MKDSISSTNWKEOK-UHFFFAOYSA-N -1 3 338.207 3.980 20 0 EHADHM O=C(c1cccc(-c2ccccc2)c1[O-])N1CCC(n2ccnc2)CC1 ZINC001148865908 1137436777 /nfs/dbraw/zinc/43/67/77/1137436777.db2.gz BBRBZGFHRCUIBG-UHFFFAOYSA-N -1 3 347.418 3.733 20 0 EHADHM CCC[C@H](CC)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000339106492 1137503213 /nfs/dbraw/zinc/50/32/13/1137503213.db2.gz IIZSILPGKLFGTN-AWEZNQCLSA-N -1 3 328.416 3.858 20 0 EHADHM Cc1ccc2[nH]cc(CCC(=O)[N-]OCCCC(F)(F)F)c2c1 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3.729 20 0 EHADHM [O-]c1ccccc1-c1nnc(CN2CCC[C@H]2c2cccs2)o1 ZINC000877902919 1137694898 /nfs/dbraw/zinc/69/48/98/1137694898.db2.gz IQVFUSCLKVCMJX-ZDUSSCGKSA-N -1 3 327.409 3.841 20 0 EHADHM Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc([O-])cc2)c(Cl)c1 ZINC000022474972 1137700652 /nfs/dbraw/zinc/70/06/52/1137700652.db2.gz KVYOKJGGPJRKGX-GFCCVEGCSA-N -1 3 347.798 3.846 20 0 EHADHM O=C([N-]c1nnc(-c2ccccc2)s1)c1cnc(CC2CC2)s1 ZINC000878070573 1137701248 /nfs/dbraw/zinc/70/12/48/1137701248.db2.gz HAHVDGQGIJHJKX-UHFFFAOYSA-N -1 3 342.449 3.866 20 0 EHADHM Cc1ccc2c(c1)O[C@H](C)CN2Cc1nnc(-c2ccccc2[O-])o1 ZINC000878163698 1137705240 /nfs/dbraw/zinc/70/52/40/1137705240.db2.gz BAFZFXMLSDNQDB-CYBMUJFWSA-N -1 3 337.379 3.538 20 0 EHADHM O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)[N-]O[C@H]1CCCCO1 ZINC000128256986 1137770223 /nfs/dbraw/zinc/77/02/23/1137770223.db2.gz AZFQAFNFKCOKCL-GBXSZLQWSA-N -1 3 349.736 3.946 20 0 EHADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)Cc2cscc2Br)n1 ZINC000880359892 1137776142 /nfs/dbraw/zinc/77/61/42/1137776142.db2.gz ASRONFQEXFYYGA-SECBINFHSA-N -1 3 342.262 3.508 20 0 EHADHM O=c1ccnc(C=Cc2csc(COc3ccc(Cl)cc3)n2)[n-]1 ZINC000131820127 1137860600 /nfs/dbraw/zinc/86/06/00/1137860600.db2.gz JSVLIYVLFAZYNQ-ZZXKWVIFSA-N -1 3 345.811 3.629 20 0 EHADHM CCN(C(=O)c1ccc(OC)cc1[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000108983087 1137890916 /nfs/dbraw/zinc/89/09/16/1137890916.db2.gz QMLFPKDFVPTGSZ-AWEZNQCLSA-N -1 3 343.423 3.503 20 0 EHADHM O=C(COC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])C(F)F ZINC000800176748 1137901070 /nfs/dbraw/zinc/90/10/70/1137901070.db2.gz AFKPRLSEJIVINT-UHFFFAOYSA-N -1 3 340.709 3.704 20 0 EHADHM O=C(c1c[n-]c2ccccc2c1=O)N(Cc1ccccc1)CC1CCC1 ZINC000115158765 1137920657 /nfs/dbraw/zinc/92/06/57/1137920657.db2.gz MNUUBDDWYFNOSW-UHFFFAOYSA-N -1 3 346.430 3.971 20 0 EHADHM CC(=O)c1ccc(C(=O)N2CC[C@H](C)C[C@H]2c2ccco2)cc1[O-] ZINC000331926195 1137925782 /nfs/dbraw/zinc/92/57/82/1137925782.db2.gz PAHIJCKNZIWLLS-LRDDRELGSA-N -1 3 327.380 3.801 20 0 EHADHM CC(C)c1ccc(C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)cc2)c([O-])c1 ZINC000332016428 1137928753 /nfs/dbraw/zinc/92/87/53/1137928753.db2.gz XGGWSOXUCGUQCU-AEFFLSMTSA-N -1 3 343.398 3.603 20 0 EHADHM CC(=O)c1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)cc1[O-] ZINC000332380676 1137942172 /nfs/dbraw/zinc/94/21/72/1137942172.db2.gz GNLWAHWPYTWFIL-KDOFPFPSSA-N -1 3 337.419 3.861 20 0 EHADHM CC(=O)Nc1cccc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1C ZINC000332602113 1137948566 /nfs/dbraw/zinc/94/85/66/1137948566.db2.gz MSSCWTYHXUZKOF-UHFFFAOYSA-N -1 3 338.407 3.790 20 0 EHADHM COc1ccc([C@H]2CCCN2C(=O)c2ccc(C)cc2[O-])cc1OC ZINC000121304592 1137956719 /nfs/dbraw/zinc/95/67/19/1137956719.db2.gz ABWFYKPWHSJSCU-MRXNPFEDSA-N -1 3 341.407 3.695 20 0 EHADHM CC(C)(C)c1cc(Br)ccc1-c1noc(-c2cnn[n-]2)n1 ZINC001212799998 1137957353 /nfs/dbraw/zinc/95/73/53/1137957353.db2.gz ISEZASJOYFBDRQ-UHFFFAOYSA-N -1 3 348.204 3.582 20 0 EHADHM CC(C)(C)c1cc(Br)ccc1-c1noc(-c2c[n-]nn2)n1 ZINC001212799998 1137957354 /nfs/dbraw/zinc/95/73/54/1137957354.db2.gz ISEZASJOYFBDRQ-UHFFFAOYSA-N -1 3 348.204 3.582 20 0 EHADHM O=C(N[C@H](C1CC1)[C@@H]1CCCOC1)c1cc2sccc2c([O-])c1 ZINC000885479688 1138005252 /nfs/dbraw/zinc/00/52/52/1138005252.db2.gz USMRYFCGENRCJT-SJKOYZFVSA-N -1 3 331.437 3.542 20 0 EHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H](c2ccccc2)C(C)C)c1 ZINC000122461331 1138258720 /nfs/dbraw/zinc/25/87/20/1138258720.db2.gz DXBYLWOEPANOOS-LJQANCHMSA-N -1 3 340.423 3.820 20 0 EHADHM O=C(c1ccc(O)cc1[O-])N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000333259961 1138271988 /nfs/dbraw/zinc/27/19/88/1138271988.db2.gz LZXRXOUEZZUNDA-UHOSZYNNSA-N -1 3 337.419 3.896 20 0 EHADHM Cn1c2ccc(C(=O)Nc3cc(F)ccc3[O-])cc2nc1C(F)F ZINC000337034670 1138452907 /nfs/dbraw/zinc/45/29/07/1138452907.db2.gz FOPLYFAZRAYZOO-UHFFFAOYSA-N -1 3 335.285 3.608 20 0 EHADHM Cc1cc(NC(=O)c2cc(F)cc3n[n-]nc32)c2cccnc2c1C ZINC000337459770 1138575732 /nfs/dbraw/zinc/57/57/32/1138575732.db2.gz ORYLXBBPLNMJKY-UHFFFAOYSA-N -1 3 335.342 3.514 20 0 EHADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(Cl)c2ncccc12 ZINC000338224315 1138793434 /nfs/dbraw/zinc/79/34/34/1138793434.db2.gz VUNFNUCTELZFBK-UHFFFAOYSA-N -1 3 330.746 3.663 20 0 EHADHM CC(=O)[C@@H](C)CCCCC(=O)Nc1cc(Br)ccc1[O-] ZINC000179656411 1139772801 /nfs/dbraw/zinc/77/28/01/1139772801.db2.gz SADYDHBRSMYLNW-JTQLQIEISA-N -1 3 342.233 3.879 20 0 EHADHM Cc1csc([C@@H](NCc2cc(=O)oc3cc([O-])ccc23)C2CC2)n1 ZINC000181610452 1139919118 /nfs/dbraw/zinc/91/91/18/1139919118.db2.gz IXOUGYIJDLRRRE-KRWDZBQOSA-N -1 3 342.420 3.504 20 0 EHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)[C@H](C)CC)c2)n1 ZINC000183177099 1140018243 /nfs/dbraw/zinc/01/82/43/1140018243.db2.gz MLRPHPQTJFHNII-CHWSQXEVSA-N -1 3 327.428 3.620 20 0 EHADHM CCc1cc(=O)[n-]c(CN[C@H](C)c2cccc(Cl)c2Cl)n1 ZINC000183754778 1140056810 /nfs/dbraw/zinc/05/68/10/1140056810.db2.gz LSQHEUDWFXIPAL-SECBINFHSA-N -1 3 326.227 3.902 20 0 EHADHM O=C([N-]c1n[nH]c(C2CCC2)n1)c1cnc(-c2ccccc2F)s1 ZINC000184637831 1140113076 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CCCN(Cc1ccc(F)cc1)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000270038159 1141171484 /nfs/dbraw/zinc/17/14/84/1141171484.db2.gz JKYVOXORDMOCIB-UHFFFAOYSA-N -1 3 344.386 3.542 20 0 EHADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@H](c2ccccc2)CC1 ZINC000066764937 215077508 /nfs/dbraw/zinc/07/75/08/215077508.db2.gz QUQSJBHNTARMOQ-KRWDZBQOSA-N -1 3 346.430 3.938 20 0 EHADHM COc1cc(CNc2ccccc2F)cc(Br)c1[O-] ZINC000019944182 212088693 /nfs/dbraw/zinc/08/86/93/212088693.db2.gz AANJSCVEMIHVFW-UHFFFAOYSA-N -1 3 326.165 3.915 20 0 EHADHM C[C@H](CC1CCCC1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000735986274 598902990 /nfs/dbraw/zinc/90/29/90/598902990.db2.gz QIOBQXNHJGZQLN-SNVBAGLBSA-N -1 3 345.472 3.572 20 0 EHADHM C[C@H](CC1CCCC1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000735986274 598902992 /nfs/dbraw/zinc/90/29/92/598902992.db2.gz QIOBQXNHJGZQLN-SNVBAGLBSA-N -1 3 345.472 3.572 20 0 EHADHM CCc1c(C)sc(NC(=O)[C@H](C)CC2CCCC2)c1-c1nnn[n-]1 ZINC000736669235 598905946 /nfs/dbraw/zinc/90/59/46/598905946.db2.gz AFGPTVIZRNLEJY-SNVBAGLBSA-N -1 3 347.488 3.954 20 0 EHADHM CCc1c(C)sc(NC(=O)[C@H](C)CC2CCCC2)c1-c1nn[n-]n1 ZINC000736669235 598905948 /nfs/dbraw/zinc/90/59/48/598905948.db2.gz AFGPTVIZRNLEJY-SNVBAGLBSA-N -1 3 347.488 3.954 20 0 EHADHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2F)CC[C@H]1c1ccccc1 ZINC000820769525 599050869 /nfs/dbraw/zinc/05/08/69/599050869.db2.gz VCPZGHGMLHVIQT-XJKSGUPXSA-N -1 3 337.402 3.636 20 0 EHADHM Cc1c2ccccc2oc1CNc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC000737242370 599058106 /nfs/dbraw/zinc/05/81/06/599058106.db2.gz WMEJQFVQZFREDD-UHFFFAOYSA-N -1 3 334.383 3.545 20 0 EHADHM Cc1c2ccccc2oc1CNc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC000737242370 599058109 /nfs/dbraw/zinc/05/81/09/599058109.db2.gz WMEJQFVQZFREDD-UHFFFAOYSA-N -1 3 334.383 3.545 20 0 EHADHM Cc1ccnc(-c2cccc(Nc3cccc(F)c3-c3nnn[n-]3)c2)n1 ZINC000737437921 599061921 /nfs/dbraw/zinc/06/19/21/599061921.db2.gz UJWJEEIVGORPPC-UHFFFAOYSA-N -1 3 347.357 3.515 20 0 EHADHM Cc1ccnc(-c2cccc(Nc3cccc(F)c3-c3nn[n-]n3)c2)n1 ZINC000737437921 599061924 /nfs/dbraw/zinc/06/19/24/599061924.db2.gz UJWJEEIVGORPPC-UHFFFAOYSA-N -1 3 347.357 3.515 20 0 EHADHM Cc1ccc([C@H]2CCCCN2C(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737332430 599083639 /nfs/dbraw/zinc/08/36/39/599083639.db2.gz WAAQYDIUWRZHAQ-GOSISDBHSA-N -1 3 347.422 3.543 20 0 EHADHM Cc1ccc([C@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737332430 599083641 /nfs/dbraw/zinc/08/36/41/599083641.db2.gz WAAQYDIUWRZHAQ-GOSISDBHSA-N -1 3 347.422 3.543 20 0 EHADHM Cc1c(NC(=O)N2CCCC[C@H]2CC(C)C)cccc1-c1nnn[n-]1 ZINC000822084857 607285675 /nfs/dbraw/zinc/28/56/75/607285675.db2.gz QNFZJUMBQUBJNP-AWEZNQCLSA-N -1 3 342.447 3.608 20 0 EHADHM Cc1c(NC(=O)N2CCCC[C@H]2CC(C)C)cccc1-c1nn[n-]n1 ZINC000822084857 607285676 /nfs/dbraw/zinc/28/56/76/607285676.db2.gz QNFZJUMBQUBJNP-AWEZNQCLSA-N -1 3 342.447 3.608 20 0 EHADHM CCC(CC)N(CC(C)C)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000820897363 607293057 /nfs/dbraw/zinc/29/30/57/607293057.db2.gz BDRCIXCFWWIOJQ-UHFFFAOYSA-N -1 3 344.463 3.854 20 0 EHADHM CCC(CC)N(CC(C)C)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000820897363 607293058 /nfs/dbraw/zinc/29/30/58/607293058.db2.gz BDRCIXCFWWIOJQ-UHFFFAOYSA-N -1 3 344.463 3.854 20 0 EHADHM COc1ccc(CNc2cccc3ccccc32)cc1-c1nnn[n-]1 ZINC000821824549 607310924 /nfs/dbraw/zinc/31/09/24/607310924.db2.gz MWFDQXRWBSRFBH-UHFFFAOYSA-N -1 3 331.379 3.641 20 0 EHADHM COc1ccc(CNc2cccc3ccccc32)cc1-c1nn[n-]n1 ZINC000821824549 607310925 /nfs/dbraw/zinc/31/09/25/607310925.db2.gz MWFDQXRWBSRFBH-UHFFFAOYSA-N -1 3 331.379 3.641 20 0 EHADHM CCCOc1cc(C)ccc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000821128193 607312106 /nfs/dbraw/zinc/31/21/06/607312106.db2.gz RHKBGEFPCLLPGB-UHFFFAOYSA-N -1 3 329.429 3.638 20 0 EHADHM C/C=C(\C)C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820826077 607317355 /nfs/dbraw/zinc/31/73/55/607317355.db2.gz ISIZKWMJEUTMCA-KGVSQERTSA-N -1 3 336.351 3.531 20 0 EHADHM C/C=C(\C)C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820826077 607317356 /nfs/dbraw/zinc/31/73/56/607317356.db2.gz ISIZKWMJEUTMCA-KGVSQERTSA-N -1 3 336.351 3.531 20 0 EHADHM Cc1coc(-c2cccc(NCc3cc(-c4nnn[n-]4)cs3)c2)n1 ZINC000822403516 607318621 /nfs/dbraw/zinc/31/86/21/607318621.db2.gz QMVZRDLUUANONG-UHFFFAOYSA-N -1 3 338.396 3.504 20 0 EHADHM Cc1coc(-c2cccc(NCc3cc(-c4nn[n-]n4)cs3)c2)n1 ZINC000822403516 607318622 /nfs/dbraw/zinc/31/86/22/607318622.db2.gz QMVZRDLUUANONG-UHFFFAOYSA-N -1 3 338.396 3.504 20 0 EHADHM C[C@H](Sc1ncnc2sccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193802 599287317 /nfs/dbraw/zinc/28/73/17/599287317.db2.gz SVYHQRBLBTUJLJ-VIFPVBQESA-N -1 3 340.437 3.725 20 0 EHADHM C[C@H](Sc1ncnc2sccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193802 599287320 /nfs/dbraw/zinc/28/73/20/599287320.db2.gz SVYHQRBLBTUJLJ-VIFPVBQESA-N -1 3 340.437 3.725 20 0 EHADHM C[C@@H](NC1CCC(C(=O)[O-])CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820136371 598135942 /nfs/dbraw/zinc/13/59/42/598135942.db2.gz RCGAFTGALSJMQP-PWQPVHBWSA-N -1 3 349.818 3.684 20 0 EHADHM Fc1cccc(Sc2nc(-c3ccccc3)c[nH]2)c1-c1nnn[n-]1 ZINC000737666590 598237133 /nfs/dbraw/zinc/23/71/33/598237133.db2.gz ZYTOOPXPLHBFLY-UHFFFAOYSA-N -1 3 338.371 3.547 20 0 EHADHM Cc1c2cc(F)ccc2oc1CNc1ccc(-c2nn[n-]n2)cc1F ZINC000737211630 598241789 /nfs/dbraw/zinc/24/17/89/598241789.db2.gz MZJGFHGBIODGFA-UHFFFAOYSA-N -1 3 341.321 3.812 20 0 EHADHM C[C@H](Cc1ccc(Cl)cc1Cl)Nc1ncccc1-c1nnn[n-]1 ZINC000736054811 598245273 /nfs/dbraw/zinc/24/52/73/598245273.db2.gz AJVDTBRUUQVYKE-SECBINFHSA-N -1 3 349.225 3.612 20 0 EHADHM C[C@H](Cc1ccc(Cl)cc1Cl)Nc1ncccc1-c1nn[n-]n1 ZINC000736054811 598245275 /nfs/dbraw/zinc/24/52/75/598245275.db2.gz AJVDTBRUUQVYKE-SECBINFHSA-N -1 3 349.225 3.612 20 0 EHADHM Fc1ccc(CNc2c(F)cc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000737649447 598248879 /nfs/dbraw/zinc/24/88/79/598248879.db2.gz OJSJGYDQXPSECN-UHFFFAOYSA-N -1 3 339.708 3.550 20 0 EHADHM Fc1ccc(CNc2c(F)cc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000737649447 598248880 /nfs/dbraw/zinc/24/88/80/598248880.db2.gz OJSJGYDQXPSECN-UHFFFAOYSA-N -1 3 339.708 3.550 20 0 EHADHM CCN(C(=O)C1CCCCCC1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736502704 598295632 /nfs/dbraw/zinc/29/56/32/598295632.db2.gz PTHKQBWOBNRLGK-AWEZNQCLSA-N -1 3 341.459 3.747 20 0 EHADHM CCN(C(=O)C1CCCCCC1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736502704 598295634 /nfs/dbraw/zinc/29/56/34/598295634.db2.gz PTHKQBWOBNRLGK-AWEZNQCLSA-N -1 3 341.459 3.747 20 0 EHADHM Cc1cccc(-c2cccc(CNc3ncccc3-c3nnn[n-]3)c2)c1 ZINC000737379962 598368592 /nfs/dbraw/zinc/36/85/92/598368592.db2.gz IKVFZOZMRSWVPZ-UHFFFAOYSA-N -1 3 342.406 3.849 20 0 EHADHM Cc1cccc(-c2cccc(CNc3ncccc3-c3nn[n-]n3)c2)c1 ZINC000737379962 598368594 /nfs/dbraw/zinc/36/85/94/598368594.db2.gz IKVFZOZMRSWVPZ-UHFFFAOYSA-N -1 3 342.406 3.849 20 0 EHADHM CCc1ccc([C@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000736685973 598386277 /nfs/dbraw/zinc/38/62/77/598386277.db2.gz NJADPVGUENTYST-JTQLQIEISA-N -1 3 328.807 3.651 20 0 EHADHM CCc1ccc([C@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000736685973 598386279 /nfs/dbraw/zinc/38/62/79/598386279.db2.gz NJADPVGUENTYST-JTQLQIEISA-N -1 3 328.807 3.651 20 0 EHADHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1cccc(Cl)c1 ZINC000736139771 598386533 /nfs/dbraw/zinc/38/65/33/598386533.db2.gz XNLWDJKKLMMXOJ-QMMMGPOBSA-N -1 3 335.198 3.742 20 0 EHADHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1cccc(Cl)c1 ZINC000736139771 598386535 /nfs/dbraw/zinc/38/65/35/598386535.db2.gz XNLWDJKKLMMXOJ-QMMMGPOBSA-N -1 3 335.198 3.742 20 0 EHADHM Cc1ccc2c(c1)[C@H](Nc1c(F)cc(-c3nnn[n-]3)cc1F)CC2 ZINC000737371360 598388598 /nfs/dbraw/zinc/38/85/98/598388598.db2.gz CTEGCDZVBKSSMW-OAHLLOKOSA-N -1 3 327.338 3.553 20 0 EHADHM Cc1ccc2c(c1)[C@H](Nc1c(F)cc(-c3nn[n-]n3)cc1F)CC2 ZINC000737371360 598388599 /nfs/dbraw/zinc/38/85/99/598388599.db2.gz CTEGCDZVBKSSMW-OAHLLOKOSA-N -1 3 327.338 3.553 20 0 EHADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@H]1CCCCc2ccccc21 ZINC000737557225 598393838 /nfs/dbraw/zinc/39/38/38/598393838.db2.gz DOAUFYBUZVPWAF-HNNXBMFYSA-N -1 3 340.818 3.795 20 0 EHADHM Clc1cc(-c2nn[n-]n2)cnc1N[C@H]1CCCCc2ccccc21 ZINC000737557225 598393840 /nfs/dbraw/zinc/39/38/40/598393840.db2.gz DOAUFYBUZVPWAF-HNNXBMFYSA-N -1 3 340.818 3.795 20 0 EHADHM c1ccc2c(c1)nccc2SCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000738435924 598504459 /nfs/dbraw/zinc/50/44/59/598504459.db2.gz FDFNIEJWMNTERJ-UHFFFAOYSA-N -1 3 349.419 3.586 20 0 EHADHM CCc1c(C)sc(NC(=O)C=Cc2ccsc2)c1-c1nnn[n-]1 ZINC000736669375 598516270 /nfs/dbraw/zinc/51/62/70/598516270.db2.gz GHKBQBKFFIPEJX-PLNGDYQASA-N -1 3 345.453 3.512 20 0 EHADHM CCc1c(C)sc(NC(=O)C=Cc2ccsc2)c1-c1nn[n-]n1 ZINC000736669375 598516272 /nfs/dbraw/zinc/51/62/72/598516272.db2.gz GHKBQBKFFIPEJX-PLNGDYQASA-N -1 3 345.453 3.512 20 0 EHADHM Fc1ccc([C@H](Nc2ccc(-c3nnn[n-]3)cn2)C2CCCC2)cc1 ZINC000737651120 598521555 /nfs/dbraw/zinc/52/15/55/598521555.db2.gz PMTGGJZTEDSPTL-QGZVFWFLSA-N -1 3 338.390 3.744 20 0 EHADHM Fc1ccc([C@H](Nc2ccc(-c3nn[n-]n3)cn2)C2CCCC2)cc1 ZINC000737651120 598521556 /nfs/dbraw/zinc/52/15/56/598521556.db2.gz PMTGGJZTEDSPTL-QGZVFWFLSA-N -1 3 338.390 3.744 20 0 EHADHM C(=Cc1ccc(-c2nnn[n-]2)cn1)c1nc(-c2ccccc2)cs1 ZINC000735401049 598536833 /nfs/dbraw/zinc/53/68/33/598536833.db2.gz WDJLBRAGWGAMJD-HJWRWDBZSA-N -1 3 332.392 3.556 20 0 EHADHM C(=Cc1ccc(-c2nn[n-]n2)cn1)c1nc(-c2ccccc2)cs1 ZINC000735401049 598536835 /nfs/dbraw/zinc/53/68/35/598536835.db2.gz WDJLBRAGWGAMJD-HJWRWDBZSA-N -1 3 332.392 3.556 20 0 EHADHM C[C@@H](Nc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000736140296 598791243 /nfs/dbraw/zinc/79/12/43/598791243.db2.gz TVVXWKXXCLJPCI-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@@H](Nc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000736140296 598791244 /nfs/dbraw/zinc/79/12/44/598791244.db2.gz TVVXWKXXCLJPCI-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM CCCC[C@@H](Nc1ncccc1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000736436531 598816339 /nfs/dbraw/zinc/81/63/39/598816339.db2.gz DIDUHXQLPDKTQY-MRXNPFEDSA-N -1 3 338.415 3.614 20 0 EHADHM CCCC[C@@H](Nc1ncccc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000736436531 598816340 /nfs/dbraw/zinc/81/63/40/598816340.db2.gz DIDUHXQLPDKTQY-MRXNPFEDSA-N -1 3 338.415 3.614 20 0 EHADHM CCC/C=C\C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736437874 598818619 /nfs/dbraw/zinc/81/86/19/598818619.db2.gz HFCISSCZLONZIX-PLNGDYQASA-N -1 3 349.394 3.954 20 0 EHADHM CCC/C=C\C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736437874 598818621 /nfs/dbraw/zinc/81/86/21/598818621.db2.gz HFCISSCZLONZIX-PLNGDYQASA-N -1 3 349.394 3.954 20 0 EHADHM Cc1cc(N2CCCC2)ccc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737270553 599324364 /nfs/dbraw/zinc/32/43/64/599324364.db2.gz CVQTUXMSLKGTEM-OAHLLOKOSA-N -1 3 348.454 3.948 20 0 EHADHM C[C@@H](Nc1cccc(Br)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820460719 599362814 /nfs/dbraw/zinc/36/28/14/599362814.db2.gz AJBZOFYCIOXDCK-SNVBAGLBSA-N -1 3 344.216 3.802 20 0 EHADHM C[C@@H](Nc1cccc(Br)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820460719 599362817 /nfs/dbraw/zinc/36/28/17/599362817.db2.gz AJBZOFYCIOXDCK-SNVBAGLBSA-N -1 3 344.216 3.802 20 0 EHADHM C[C@H](Nc1ccc(OCC2CC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820456448 599376216 /nfs/dbraw/zinc/37/62/16/599376216.db2.gz UFQMBIOSYAEKHR-ZDUSSCGKSA-N -1 3 335.411 3.829 20 0 EHADHM C[C@H](Nc1ccc(OCC2CC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820456448 599376218 /nfs/dbraw/zinc/37/62/18/599376218.db2.gz UFQMBIOSYAEKHR-ZDUSSCGKSA-N -1 3 335.411 3.829 20 0 EHADHM COc1cccc([C@@H](C)Nc2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000737129378 599414398 /nfs/dbraw/zinc/41/43/98/599414398.db2.gz YXOWNKRLMNLJRQ-GFCCVEGCSA-N -1 3 346.394 3.597 20 0 EHADHM COc1cccc([C@@H](C)Nc2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000737129378 599414401 /nfs/dbraw/zinc/41/44/01/599414401.db2.gz YXOWNKRLMNLJRQ-GFCCVEGCSA-N -1 3 346.394 3.597 20 0 EHADHM Fc1ccc2c(c1)CC[C@@H]2Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737664823 599417134 /nfs/dbraw/zinc/41/71/34/599417134.db2.gz DWCZLDHBXKEHQJ-KRWDZBQOSA-N -1 3 346.369 3.653 20 0 EHADHM Fc1ccc2c(c1)CC[C@@H]2Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737664823 599417135 /nfs/dbraw/zinc/41/71/35/599417135.db2.gz DWCZLDHBXKEHQJ-KRWDZBQOSA-N -1 3 346.369 3.653 20 0 EHADHM C[C@H](Nc1cc(Cl)ccc1-c1nnn[n-]1)c1nc2ccccc2[nH]1 ZINC000736140687 599419047 /nfs/dbraw/zinc/41/90/47/599419047.db2.gz ZOSWBMXWIRHUOA-VIFPVBQESA-N -1 3 339.790 3.570 20 0 EHADHM C[C@H](Nc1cc(Cl)ccc1-c1nn[n-]n1)c1nc2ccccc2[nH]1 ZINC000736140687 599419050 /nfs/dbraw/zinc/41/90/50/599419050.db2.gz ZOSWBMXWIRHUOA-VIFPVBQESA-N -1 3 339.790 3.570 20 0 EHADHM C[C@@H](Nc1cc(Cl)ccc1-c1nnn[n-]1)c1nc2ccccc2[nH]1 ZINC000736140686 599419106 /nfs/dbraw/zinc/41/91/06/599419106.db2.gz ZOSWBMXWIRHUOA-SECBINFHSA-N -1 3 339.790 3.570 20 0 EHADHM C[C@@H](Nc1cc(Cl)ccc1-c1nn[n-]n1)c1nc2ccccc2[nH]1 ZINC000736140686 599419107 /nfs/dbraw/zinc/41/91/07/599419107.db2.gz ZOSWBMXWIRHUOA-SECBINFHSA-N -1 3 339.790 3.570 20 0 EHADHM Fc1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)cc1Cl ZINC000737647438 599424922 /nfs/dbraw/zinc/42/49/22/599424922.db2.gz DUXRVNOJAYUHSC-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM Fc1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cc1Cl ZINC000737647438 599424924 /nfs/dbraw/zinc/42/49/24/599424924.db2.gz DUXRVNOJAYUHSC-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM Cc1cccc2c1CC[C@@H]2Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737411299 599429413 /nfs/dbraw/zinc/42/94/13/599429413.db2.gz ZNWIYBFLHRYSJR-SFHVURJKSA-N -1 3 342.406 3.823 20 0 EHADHM Cc1cccc2c1CC[C@@H]2Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737411299 599429416 /nfs/dbraw/zinc/42/94/16/599429416.db2.gz ZNWIYBFLHRYSJR-SFHVURJKSA-N -1 3 342.406 3.823 20 0 EHADHM CC[C@@H](Sc1nc(C)nc(C)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000736393287 599520294 /nfs/dbraw/zinc/52/02/94/599520294.db2.gz VWJIKUFQCKXXQL-CYBMUJFWSA-N -1 3 344.419 3.656 20 0 EHADHM C[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CC1 ZINC000736275341 599521510 /nfs/dbraw/zinc/52/15/10/599521510.db2.gz BVOKYPIYBDHBND-SNVBAGLBSA-N -1 3 325.338 3.512 20 0 EHADHM CC[C@@H](CC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000736331780 599538772 /nfs/dbraw/zinc/53/87/72/599538772.db2.gz KQGFOILDFWMIGA-LBPRGKRZSA-N -1 3 341.440 3.759 20 0 EHADHM CC[C@@H](CC(=O)Nc1sccc1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000736331780 599538775 /nfs/dbraw/zinc/53/87/75/599538775.db2.gz KQGFOILDFWMIGA-LBPRGKRZSA-N -1 3 341.440 3.759 20 0 EHADHM CC(C)CN(C(=O)CCC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735818151 599541294 /nfs/dbraw/zinc/54/12/94/599541294.db2.gz JDMPCBFVQMRHRF-UHFFFAOYSA-N -1 3 329.448 3.682 20 0 EHADHM CC(C)CN(C(=O)CCC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735818151 599541295 /nfs/dbraw/zinc/54/12/95/599541295.db2.gz JDMPCBFVQMRHRF-UHFFFAOYSA-N -1 3 329.448 3.682 20 0 EHADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3Cc4ccccc4C3)c2c1 ZINC000822195016 599541876 /nfs/dbraw/zinc/54/18/76/599541876.db2.gz DFUUZHAYLMKAGE-UHFFFAOYSA-N -1 3 342.406 3.552 20 0 EHADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3Cc4ccccc4C3)c2c1 ZINC000822195016 599541877 /nfs/dbraw/zinc/54/18/77/599541877.db2.gz DFUUZHAYLMKAGE-UHFFFAOYSA-N -1 3 342.406 3.552 20 0 EHADHM C[C@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1Cl ZINC000820455958 599563304 /nfs/dbraw/zinc/56/33/04/599563304.db2.gz OPTQCJPVSYFLGO-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1Cl ZINC000820455958 599563305 /nfs/dbraw/zinc/56/33/05/599563305.db2.gz OPTQCJPVSYFLGO-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM CC[C@@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000820927151 599564281 /nfs/dbraw/zinc/56/42/81/599564281.db2.gz ZVXPHTPFHQNMSH-CQSZACIVSA-N -1 3 333.317 3.847 20 0 EHADHM CC[C@@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000820927151 599564283 /nfs/dbraw/zinc/56/42/83/599564283.db2.gz ZVXPHTPFHQNMSH-CQSZACIVSA-N -1 3 333.317 3.847 20 0 EHADHM CCCCC[C@H](C)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000821048995 599628622 /nfs/dbraw/zinc/62/86/22/599628622.db2.gz IOXOCAVEOZMGCD-NSHDSACASA-N -1 3 347.488 3.962 20 0 EHADHM CCCCC[C@H](C)CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000821048995 599628623 /nfs/dbraw/zinc/62/86/23/599628623.db2.gz IOXOCAVEOZMGCD-NSHDSACASA-N -1 3 347.488 3.962 20 0 EHADHM CCCCCC[C@@H](C)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825271010 607415272 /nfs/dbraw/zinc/41/52/72/607415272.db2.gz FPTNMUWOPUSNRU-CQSZACIVSA-N -1 3 341.459 3.579 20 0 EHADHM CCCCCC[C@@H](C)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825271010 607415273 /nfs/dbraw/zinc/41/52/73/607415273.db2.gz FPTNMUWOPUSNRU-CQSZACIVSA-N -1 3 341.459 3.579 20 0 EHADHM COc1c(C)cc(CN(C)Cc2ccc(F)cc2C(=O)[O-])cc1C ZINC000737838862 600099834 /nfs/dbraw/zinc/09/98/34/600099834.db2.gz DGCXMKAVBJOAEP-UHFFFAOYSA-N -1 3 331.387 3.781 20 0 EHADHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000736662691 600416921 /nfs/dbraw/zinc/41/69/21/600416921.db2.gz RVZADIBKPACIJJ-PIGZYNQJSA-N -1 3 347.798 3.588 20 0 EHADHM CCC[C@@](C)(NCc1csc(-c2ccc(OC)cc2)n1)C(=O)[O-] ZINC000736962518 600461347 /nfs/dbraw/zinc/46/13/47/600461347.db2.gz LIKWOWDTTFPEKF-QGZVFWFLSA-N -1 3 334.441 3.552 20 0 EHADHM Cc1sc(C(=O)[O-])cc1CN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000833033254 601629073 /nfs/dbraw/zinc/62/90/73/601629073.db2.gz XDBODHXNQAOYDY-AWEZNQCLSA-N -1 3 345.420 3.821 20 0 EHADHM O=C([O-])c1ccc(CN2CCC[C@H](Oc3ccccc3)C2)cc1F ZINC000833313035 601638253 /nfs/dbraw/zinc/63/82/53/601638253.db2.gz LRWYROSWUIKUFI-INIZCTEOSA-N -1 3 329.371 3.567 20 0 EHADHM CC(C)c1nn(-c2ccccc2)cc1CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000827164496 601852132 /nfs/dbraw/zinc/85/21/32/601852132.db2.gz WHUZNHQIQCBXOI-HXUWFJFHSA-N -1 3 349.434 3.911 20 0 EHADHM CO[C@@H](CN[C@@H](C(=O)[O-])c1ccccc1F)c1ccccc1Cl ZINC000831519385 601978446 /nfs/dbraw/zinc/97/84/46/601978446.db2.gz NJZQMYRQOVHGBT-JKSUJKDBSA-N -1 3 337.778 3.582 20 0 EHADHM CCc1nc2c(s1)[C@H](N(C)Cc1cccc(C(=O)[O-])c1)CCC2 ZINC000263459468 602053560 /nfs/dbraw/zinc/05/35/60/602053560.db2.gz IKVRJAGRZBZFLE-OAHLLOKOSA-N -1 3 330.453 3.913 20 0 EHADHM CCC(CC)(CC(=O)[O-])NCc1csc(Cc2ccccc2)n1 ZINC000828803876 602212012 /nfs/dbraw/zinc/21/20/12/602212012.db2.gz CTZLMQDMHBTPSV-UHFFFAOYSA-N -1 3 332.469 3.857 20 0 EHADHM C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000262952691 602231545 /nfs/dbraw/zinc/23/15/45/602231545.db2.gz AZHXWAHLCCVZKT-ZDUSSCGKSA-N -1 3 338.407 3.584 20 0 EHADHM C[C@@H](NC(=O)[O-])C1CCN(Cc2ccc(Cl)c3cccnc23)CC1 ZINC000739013789 602446022 /nfs/dbraw/zinc/44/60/22/602446022.db2.gz FXOSZUIRIIDJJT-GFCCVEGCSA-N -1 3 347.846 3.756 20 0 EHADHM O=C([O-])N1CC[C@@H](CN2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000740502090 602978229 /nfs/dbraw/zinc/97/82/29/602978229.db2.gz DJSUXMRKHNISRQ-BLLLJJGKSA-N -1 3 348.493 3.757 20 0 EHADHM COc1ccc([C@H](NCc2ccc(NC(=O)[O-])nc2)C(C)C)cc1 ZINC000829311070 603533020 /nfs/dbraw/zinc/53/30/20/603533020.db2.gz MBMYZHVAEFWMNN-QGZVFWFLSA-N -1 3 329.400 3.667 20 0 EHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc2ccccc21 ZINC000826250663 607652030 /nfs/dbraw/zinc/65/20/30/607652030.db2.gz LRZSKBAHHGHHBT-UHFFFAOYSA-N -1 3 329.363 3.581 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc2ccccc21 ZINC000826250663 607652033 /nfs/dbraw/zinc/65/20/33/607652033.db2.gz LRZSKBAHHGHHBT-UHFFFAOYSA-N -1 3 329.363 3.581 20 0 EHADHM C[C@@H](NCC[C@@H]1CCCN(C(=O)[O-])C1)c1nc2ccccc2s1 ZINC000825490649 604299382 /nfs/dbraw/zinc/29/93/82/604299382.db2.gz NQYGLUOAYWROPC-OLZOCXBDSA-N -1 3 333.457 3.727 20 0 EHADHM Cc1cc([C@@H](C)N2CCCN(Cc3ccccc3)CC2)oc1C(=O)[O-] ZINC000832870297 604382104 /nfs/dbraw/zinc/38/21/04/604382104.db2.gz GHOOSOQOBQPURA-MRXNPFEDSA-N -1 3 342.439 3.555 20 0 EHADHM C[C@H](c1ccc(F)cc1)N(C)Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000833538786 604523353 /nfs/dbraw/zinc/52/33/53/604523353.db2.gz VOWMITVKQIMQGA-KGLIPLIRSA-N -1 3 331.387 3.871 20 0 EHADHM CC(C)CCOC1CCN(Cc2ccc(O[C@H](C)C(=O)[O-])cc2)CC1 ZINC000833483542 604589684 /nfs/dbraw/zinc/58/96/84/604589684.db2.gz BBYVVIXJPOCENY-MRXNPFEDSA-N -1 3 349.471 3.566 20 0 EHADHM O=C([O-])c1ccc(CN2CCC[C@H](Nc3ccccc3)C2)cc1F ZINC000833313072 604800307 /nfs/dbraw/zinc/80/03/07/604800307.db2.gz NWHQDUQGYDVQFM-INIZCTEOSA-N -1 3 328.387 3.600 20 0 EHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000392743093 604951592 /nfs/dbraw/zinc/95/15/92/604951592.db2.gz ZAVDXFIVDDRDKN-CQSZACIVSA-N -1 3 346.402 3.804 20 0 EHADHM Cc1nc(CSc2cccc(Cl)c2-c2nn[n-]n2)sc1C ZINC000826326099 608207639 /nfs/dbraw/zinc/20/76/39/608207639.db2.gz AAKUJQRXGMEEME-UHFFFAOYSA-N -1 3 337.861 3.886 20 0 EHADHM C[C@]1(NCc2nc(-c3cccc(Cl)c3)no2)CCCC[C@@H]1C(=O)[O-] ZINC000833570314 605063201 /nfs/dbraw/zinc/06/32/01/605063201.db2.gz QUVKBLPCLSOTHG-DYVFJYSZSA-N -1 3 349.818 3.513 20 0 EHADHM C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000833624250 605071216 /nfs/dbraw/zinc/07/12/16/605071216.db2.gz LNMNRHPRZWGMOG-UHIISALHSA-N -1 3 334.803 3.709 20 0 EHADHM C[C@@H](C[C@@H](O)c1cccs1)Nc1c(Cl)cccc1-c1nnn[n-]1 ZINC000824390913 607732403 /nfs/dbraw/zinc/73/24/03/607732403.db2.gz FIJXBERYUSSWJM-JOYOIKCWSA-N -1 3 349.847 3.506 20 0 EHADHM C[C@@H](C[C@@H](O)c1cccs1)Nc1c(Cl)cccc1-c1nn[n-]n1 ZINC000824390913 607732405 /nfs/dbraw/zinc/73/24/05/607732405.db2.gz FIJXBERYUSSWJM-JOYOIKCWSA-N -1 3 349.847 3.506 20 0 EHADHM CC(C)c1csc([C@@H]2CCCN(Cc3ccc(C(=O)[O-])[nH]3)C2)n1 ZINC000833511391 605109814 /nfs/dbraw/zinc/10/98/14/605109814.db2.gz PNGDXIHHJHZWEA-GFCCVEGCSA-N -1 3 333.457 3.672 20 0 EHADHM CCc1nc(C)c([C@H](C)N(C)CCOc2ccccc2C(=O)[O-])s1 ZINC000183936942 605210254 /nfs/dbraw/zinc/21/02/54/605210254.db2.gz QXKKJYHOYPBYCK-ZDUSSCGKSA-N -1 3 348.468 3.784 20 0 EHADHM CN(Cc1cc(Cl)cc2c1OCC2)[C@H](C(=O)[O-])c1ccccc1 ZINC000833694392 605297944 /nfs/dbraw/zinc/29/79/44/605297944.db2.gz JHAWDFDFVORMSG-INIZCTEOSA-N -1 3 331.799 3.533 20 0 EHADHM C[C@H]1CCN(Cc2ccc(OCC(=O)[O-])cc2)[C@@H](c2ccco2)C1 ZINC000833615291 605299514 /nfs/dbraw/zinc/29/95/14/605299514.db2.gz AKQGDLYIXJLTAR-WMLDXEAASA-N -1 3 329.396 3.716 20 0 EHADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC000833575722 605371948 /nfs/dbraw/zinc/37/19/48/605371948.db2.gz BXWFFQSEVGLNMK-WCQYABFASA-N -1 3 338.473 3.715 20 0 EHADHM CCCN(Cc1ncc(-c2cccs2)o1)C1CCN(C(=O)[O-])CC1 ZINC000826916886 605469431 /nfs/dbraw/zinc/46/94/31/605469431.db2.gz UMZWUQVGVKLNKD-UHFFFAOYSA-N -1 3 349.456 3.758 20 0 EHADHM C[C@H](Oc1ccc(CN2C[C@@H](C(F)(F)F)CC[C@@H]2C)cc1)C(=O)[O-] ZINC000833537689 605730774 /nfs/dbraw/zinc/73/07/74/605730774.db2.gz NQIHOHCARRTWRQ-OBJOEFQTSA-N -1 3 345.361 3.701 20 0 EHADHM O=C([O-])N[C@@H]1C[C@@H](N[C@H](CCCO)c2ccccc2)c2ccccc21 ZINC000834157338 605800058 /nfs/dbraw/zinc/80/00/58/605800058.db2.gz GXIQZLDDPDSLJA-GUDVDZBRSA-N -1 3 340.423 3.544 20 0 EHADHM COc1cccc2c1CC[C@@H]2N[C@@H]1C[C@@H](NC(=O)[O-])c2ccccc21 ZINC000833890394 605801515 /nfs/dbraw/zinc/80/15/15/605801515.db2.gz AXPHMJRZHFZJHC-RCCFBDPRSA-N -1 3 338.407 3.726 20 0 EHADHM Cc1cccc(C2(C(=O)O[C@H](C)c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000822299642 606351911 /nfs/dbraw/zinc/35/19/11/606351911.db2.gz PXHRZPLLMFZSGM-CQSZACIVSA-N -1 3 348.406 3.511 20 0 EHADHM Cc1cccc(C2(C(=O)O[C@H](C)c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000822299642 606351913 /nfs/dbraw/zinc/35/19/13/606351913.db2.gz PXHRZPLLMFZSGM-CQSZACIVSA-N -1 3 348.406 3.511 20 0 EHADHM C[C@@H](OC(=O)CCCc1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820495278 606352484 /nfs/dbraw/zinc/35/24/84/606352484.db2.gz GJSZTEMVUDTWAL-GFCCVEGCSA-N -1 3 342.424 3.555 20 0 EHADHM C[C@@H](OC(=O)CCCc1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820495278 606352485 /nfs/dbraw/zinc/35/24/85/606352485.db2.gz GJSZTEMVUDTWAL-GFCCVEGCSA-N -1 3 342.424 3.555 20 0 EHADHM COc1cc(Cl)c(C)cc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000821716647 606420204 /nfs/dbraw/zinc/42/02/04/606420204.db2.gz DJUBJNYRVLOHMC-UHFFFAOYSA-N -1 3 335.820 3.511 20 0 EHADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000822737435 606446988 /nfs/dbraw/zinc/44/69/88/606446988.db2.gz VKNIZSZLIARKCV-RKDXNWHRSA-N -1 3 347.291 3.678 20 0 EHADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000822737435 606446990 /nfs/dbraw/zinc/44/69/90/606446990.db2.gz VKNIZSZLIARKCV-RKDXNWHRSA-N -1 3 347.291 3.678 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000822743858 606447171 /nfs/dbraw/zinc/44/71/71/606447171.db2.gz HAAOWBGOTAICML-NXEZZACHSA-N -1 3 329.301 3.539 20 0 EHADHM Fc1ccc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000822779307 606447232 /nfs/dbraw/zinc/44/72/32/606447232.db2.gz VHHYUDTWHKUIFX-WCBMZHEXSA-N -1 3 329.301 3.539 20 0 EHADHM Fc1ccc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000822779307 606447234 /nfs/dbraw/zinc/44/72/34/606447234.db2.gz VHHYUDTWHKUIFX-WCBMZHEXSA-N -1 3 329.301 3.539 20 0 EHADHM Fc1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1C(F)(F)F ZINC000822783162 606452728 /nfs/dbraw/zinc/45/27/28/606452728.db2.gz XYTCYKVDDFUYIR-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Fc1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1C(F)(F)F ZINC000822783162 606452730 /nfs/dbraw/zinc/45/27/30/606452730.db2.gz XYTCYKVDDFUYIR-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM CC[C@H](C)c1ccccc1OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820882143 606461196 /nfs/dbraw/zinc/46/11/96/606461196.db2.gz KRIMJRNUDQRECO-JTQLQIEISA-N -1 3 328.397 3.661 20 0 EHADHM CC[C@H](C)c1ccccc1OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820882143 606461199 /nfs/dbraw/zinc/46/11/99/606461199.db2.gz KRIMJRNUDQRECO-JTQLQIEISA-N -1 3 328.397 3.661 20 0 EHADHM Cc1ccc(C(C)C)c(OC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000822229149 606461463 /nfs/dbraw/zinc/46/14/63/606461463.db2.gz NVZNJVRSLLSRBF-UHFFFAOYSA-N -1 3 328.397 3.579 20 0 EHADHM Cc1ccc(C(C)C)c(OC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000822229149 606461464 /nfs/dbraw/zinc/46/14/64/606461464.db2.gz NVZNJVRSLLSRBF-UHFFFAOYSA-N -1 3 328.397 3.579 20 0 EHADHM c1sc(-c2nc(-c3cccc4ccccc43)no2)cc1-c1nnn[n-]1 ZINC000823792608 606471685 /nfs/dbraw/zinc/47/16/85/606471685.db2.gz ZIIPBQAHOKYVFF-UHFFFAOYSA-N -1 3 346.375 3.798 20 0 EHADHM c1sc(-c2nc(-c3cccc4ccccc43)no2)cc1-c1nn[n-]n1 ZINC000823792608 606471686 /nfs/dbraw/zinc/47/16/86/606471686.db2.gz ZIIPBQAHOKYVFF-UHFFFAOYSA-N -1 3 346.375 3.798 20 0 EHADHM CCc1ccc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000821486371 606596453 /nfs/dbraw/zinc/59/64/53/606596453.db2.gz DRJBCPBSMRYJRN-UHFFFAOYSA-N -1 3 345.353 3.643 20 0 EHADHM CCc1ccc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1 ZINC000821486371 606596454 /nfs/dbraw/zinc/59/64/54/606596454.db2.gz DRJBCPBSMRYJRN-UHFFFAOYSA-N -1 3 345.353 3.643 20 0 EHADHM Cc1ccc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c(C)c1 ZINC000822255277 606597140 /nfs/dbraw/zinc/59/71/40/606597140.db2.gz YJWBYKVJARJMBB-UHFFFAOYSA-N -1 3 345.353 3.697 20 0 EHADHM Cc1ccc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c(C)c1 ZINC000822255277 606597142 /nfs/dbraw/zinc/59/71/42/606597142.db2.gz YJWBYKVJARJMBB-UHFFFAOYSA-N -1 3 345.353 3.697 20 0 EHADHM O=C(C=C1CCC1)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822917725 606662896 /nfs/dbraw/zinc/66/28/96/606662896.db2.gz VWRZYNMASLLRGA-UHFFFAOYSA-N -1 3 332.363 3.549 20 0 EHADHM O=C(C=C1CCC1)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822917725 606662897 /nfs/dbraw/zinc/66/28/97/606662897.db2.gz VWRZYNMASLLRGA-UHFFFAOYSA-N -1 3 332.363 3.549 20 0 EHADHM CC(C)Sc1ccccc1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820183998 606744469 /nfs/dbraw/zinc/74/44/69/606744469.db2.gz RSCHZCKBGQBFON-UHFFFAOYSA-N -1 3 339.424 3.620 20 0 EHADHM CC(C)Sc1ccccc1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820183998 606744471 /nfs/dbraw/zinc/74/44/71/606744471.db2.gz RSCHZCKBGQBFON-UHFFFAOYSA-N -1 3 339.424 3.620 20 0 EHADHM C[C@@H](Nc1ccccc1OCC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820461108 606776711 /nfs/dbraw/zinc/77/67/11/606776711.db2.gz FIPNIYURIILPKE-LLVKDONJSA-N -1 3 345.353 3.684 20 0 EHADHM C[C@@H](Nc1ccccc1OCC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461108 606776712 /nfs/dbraw/zinc/77/67/12/606776712.db2.gz FIPNIYURIILPKE-LLVKDONJSA-N -1 3 345.353 3.684 20 0 EHADHM Cc1ccsc1CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000822379215 606925167 /nfs/dbraw/zinc/92/51/67/606925167.db2.gz MHHWRNLNFFDUFD-UHFFFAOYSA-N -1 3 339.346 3.868 20 0 EHADHM Cc1ccsc1CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000822379215 606925169 /nfs/dbraw/zinc/92/51/69/606925169.db2.gz MHHWRNLNFFDUFD-UHFFFAOYSA-N -1 3 339.346 3.868 20 0 EHADHM CC(C)Oc1ccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)c(F)c1 ZINC000820174324 606928811 /nfs/dbraw/zinc/92/88/11/606928811.db2.gz SBUPFGYVJRRXKQ-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM CC(C)Oc1ccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)c(F)c1 ZINC000820174324 606928812 /nfs/dbraw/zinc/92/88/12/606928812.db2.gz SBUPFGYVJRRXKQ-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM C[C@H]1CCCC[C@@H]1CC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820698212 606964290 /nfs/dbraw/zinc/96/42/90/606964290.db2.gz RFTKHTMRUKGJNQ-NWDGAFQWSA-N -1 3 347.850 3.699 20 0 EHADHM C[C@H]1CCCC[C@@H]1CC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820698212 606964293 /nfs/dbraw/zinc/96/42/93/606964293.db2.gz RFTKHTMRUKGJNQ-NWDGAFQWSA-N -1 3 347.850 3.699 20 0 EHADHM C[C@H](c1cccc(Cl)c1)[S@](=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820563022 606978588 /nfs/dbraw/zinc/97/85/88/606978588.db2.gz LNYBETBHBHYKLA-QVQLBTGDSA-N -1 3 346.843 3.530 20 0 EHADHM C[C@H](c1cccc(Cl)c1)[S@](=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820563022 606978590 /nfs/dbraw/zinc/97/85/90/606978590.db2.gz LNYBETBHBHYKLA-QVQLBTGDSA-N -1 3 346.843 3.530 20 0 EHADHM CCC(CC)CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000820893333 607034605 /nfs/dbraw/zinc/03/46/05/607034605.db2.gz NUTDPGKKOVZCKG-UHFFFAOYSA-N -1 3 343.475 3.678 20 0 EHADHM CCC(CC)CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000820893333 607034606 /nfs/dbraw/zinc/03/46/06/607034606.db2.gz NUTDPGKKOVZCKG-UHFFFAOYSA-N -1 3 343.475 3.678 20 0 EHADHM O=C(CCC1CCCCC1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822950704 607189411 /nfs/dbraw/zinc/18/94/11/607189411.db2.gz YBDGELWPLRZFCF-UHFFFAOYSA-N -1 3 333.823 3.819 20 0 EHADHM O=C(CCC1CCCCC1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822950704 607189412 /nfs/dbraw/zinc/18/94/12/607189412.db2.gz YBDGELWPLRZFCF-UHFFFAOYSA-N -1 3 333.823 3.819 20 0 EHADHM O=C(Nc1cc(C(F)F)ccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000823299049 607192028 /nfs/dbraw/zinc/19/20/28/607192028.db2.gz FGPRHAWAKSAJJM-UHFFFAOYSA-N -1 3 349.728 3.710 20 0 EHADHM O=C(Nc1cc(C(F)F)ccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000823299049 607192029 /nfs/dbraw/zinc/19/20/29/607192029.db2.gz FGPRHAWAKSAJJM-UHFFFAOYSA-N -1 3 349.728 3.710 20 0 EHADHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C1CCCCC1 ZINC000820373181 607201652 /nfs/dbraw/zinc/20/16/52/607201652.db2.gz FZTRJGKISGYLRR-SNVBAGLBSA-N -1 3 348.838 3.610 20 0 EHADHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C1CCCCC1 ZINC000820373181 607201653 /nfs/dbraw/zinc/20/16/53/607201653.db2.gz FZTRJGKISGYLRR-SNVBAGLBSA-N -1 3 348.838 3.610 20 0 EHADHM CC(=Cc1ccccc1Cl)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000823943931 607920350 /nfs/dbraw/zinc/92/03/50/607920350.db2.gz VJHYUKXAMAOZPJ-KHPPLWFESA-N -1 3 339.786 3.562 20 0 EHADHM CC(=Cc1ccccc1Cl)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000823943931 607920351 /nfs/dbraw/zinc/92/03/51/607920351.db2.gz VJHYUKXAMAOZPJ-KHPPLWFESA-N -1 3 339.786 3.562 20 0 EHADHM Cc1cnc([C@@H](C)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)o1 ZINC000826317816 608150989 /nfs/dbraw/zinc/15/09/89/608150989.db2.gz NXBHXOAHBIUBHG-CYBMUJFWSA-N -1 3 347.378 3.970 20 0 EHADHM Cc1cnc([C@@H](C)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)o1 ZINC000826317816 608150991 /nfs/dbraw/zinc/15/09/91/608150991.db2.gz NXBHXOAHBIUBHG-CYBMUJFWSA-N -1 3 347.378 3.970 20 0 EHADHM Cc1nc(CSc2cccc(Cl)c2-c2nnn[n-]2)sc1C ZINC000826326099 608207637 /nfs/dbraw/zinc/20/76/37/608207637.db2.gz AAKUJQRXGMEEME-UHFFFAOYSA-N -1 3 337.861 3.886 20 0 EHADHM c1ccc([C@@H](Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)C2CC2)cc1 ZINC000826520416 608222361 /nfs/dbraw/zinc/22/23/61/608222361.db2.gz IQMLMKFMASEIHX-LJQANCHMSA-N -1 3 342.406 3.978 20 0 EHADHM c1ccc([C@@H](Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)C2CC2)cc1 ZINC000826520416 608222363 /nfs/dbraw/zinc/22/23/63/608222363.db2.gz IQMLMKFMASEIHX-LJQANCHMSA-N -1 3 342.406 3.978 20 0 EHADHM CC[C@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccccc1 ZINC000825147263 608224783 /nfs/dbraw/zinc/22/47/83/608224783.db2.gz HBHWDTSRIBKPHY-INIZCTEOSA-N -1 3 330.395 3.978 20 0 EHADHM CC[C@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccccc1 ZINC000825147263 608224785 /nfs/dbraw/zinc/22/47/85/608224785.db2.gz HBHWDTSRIBKPHY-INIZCTEOSA-N -1 3 330.395 3.978 20 0 EHADHM CC(C)(C)Oc1cc(F)ccc1NCc1ccccc1-c1nnn[n-]1 ZINC000824119370 608227258 /nfs/dbraw/zinc/22/72/58/608227258.db2.gz GWCPXAYPOLSWCC-UHFFFAOYSA-N -1 3 341.390 3.795 20 0 EHADHM CC(C)(C)Oc1cc(F)ccc1NCc1ccccc1-c1nn[n-]n1 ZINC000824119370 608227259 /nfs/dbraw/zinc/22/72/59/608227259.db2.gz GWCPXAYPOLSWCC-UHFFFAOYSA-N -1 3 341.390 3.795 20 0 EHADHM c1cc2nc(N3CCC4(C3)CCCCC4)ccc2cc1-c1nnn[n-]1 ZINC000826518756 608231486 /nfs/dbraw/zinc/23/14/86/608231486.db2.gz WUAPFIZUZCYRGF-UHFFFAOYSA-N -1 3 334.427 3.576 20 0 EHADHM c1cc2nc(N3CCC4(C3)CCCCC4)ccc2cc1-c1nn[n-]n1 ZINC000826518756 608231488 /nfs/dbraw/zinc/23/14/88/608231488.db2.gz WUAPFIZUZCYRGF-UHFFFAOYSA-N -1 3 334.427 3.576 20 0 EHADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1c(F)cc(Cl)cc1F ZINC000826371665 608389005 /nfs/dbraw/zinc/38/90/05/608389005.db2.gz PCOUYDIXXZZNBQ-UHFFFAOYSA-N -1 3 339.708 3.550 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1c(F)cc(Cl)cc1F ZINC000826371665 608389007 /nfs/dbraw/zinc/38/90/07/608389007.db2.gz PCOUYDIXXZZNBQ-UHFFFAOYSA-N -1 3 339.708 3.550 20 0 EHADHM CSc1cccc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000826230633 608412239 /nfs/dbraw/zinc/41/22/39/608412239.db2.gz CCMZVXLRPYIWKT-UHFFFAOYSA-N -1 3 340.412 3.541 20 0 EHADHM CSc1cccc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826230633 608412240 /nfs/dbraw/zinc/41/22/40/608412240.db2.gz CCMZVXLRPYIWKT-UHFFFAOYSA-N -1 3 340.412 3.541 20 0 EHADHM Clc1cccc2c1OCCC[C@H]2Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826353554 608589766 /nfs/dbraw/zinc/58/97/66/608589766.db2.gz UVWNQIKGPHAERN-OAHLLOKOSA-N -1 3 341.802 3.846 20 0 EHADHM Clc1oc2ccccc2c1CNc1cccc(-c2nnn[n-]2)c1 ZINC000393447874 608868163 /nfs/dbraw/zinc/86/81/63/608868163.db2.gz IWJWTWAQWHMERZ-UHFFFAOYSA-N -1 3 325.759 3.878 20 0 EHADHM Clc1oc2ccccc2c1CNc1cccc(-c2nn[n-]n2)c1 ZINC000393447874 608868165 /nfs/dbraw/zinc/86/81/65/608868165.db2.gz IWJWTWAQWHMERZ-UHFFFAOYSA-N -1 3 325.759 3.878 20 0 EHADHM COc1c(C)ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1C ZINC000826167121 609157997 /nfs/dbraw/zinc/15/79/97/609157997.db2.gz QFROUWZGFAUBHZ-GFCCVEGCSA-N -1 3 341.390 3.804 20 0 EHADHM COc1c(C)ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1C ZINC000826167121 609157999 /nfs/dbraw/zinc/15/79/99/609157999.db2.gz QFROUWZGFAUBHZ-GFCCVEGCSA-N -1 3 341.390 3.804 20 0 EHADHM C[C@@H](Nc1cccc(OC(F)F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824662410 609164516 /nfs/dbraw/zinc/16/45/16/609164516.db2.gz JMDVXKPRLQGRGK-SECBINFHSA-N -1 3 349.316 3.780 20 0 EHADHM C[C@@H](Nc1cccc(OC(F)F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824662410 609164517 /nfs/dbraw/zinc/16/45/17/609164517.db2.gz JMDVXKPRLQGRGK-SECBINFHSA-N -1 3 349.316 3.780 20 0 EHADHM CC(C)OCc1cccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000824315673 609181950 /nfs/dbraw/zinc/18/19/50/609181950.db2.gz SZDJZJZZCXWQMI-CQSZACIVSA-N -1 3 337.427 3.965 20 0 EHADHM CC(C)OCc1cccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000824315673 609181951 /nfs/dbraw/zinc/18/19/51/609181951.db2.gz SZDJZJZZCXWQMI-CQSZACIVSA-N -1 3 337.427 3.965 20 0 EHADHM FCc1ccc(CSCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000826370037 609185683 /nfs/dbraw/zinc/18/56/83/609185683.db2.gz AQSQLCLOVJTUJR-UHFFFAOYSA-N -1 3 332.379 3.909 20 0 EHADHM FCc1ccc(CSCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000826370037 609185685 /nfs/dbraw/zinc/18/56/85/609185685.db2.gz AQSQLCLOVJTUJR-UHFFFAOYSA-N -1 3 332.379 3.909 20 0 EHADHM C[C@H](Nc1ccccc1OCC1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662445 609238663 /nfs/dbraw/zinc/23/86/63/609238663.db2.gz KLQGAYAHVLGPHQ-ZDUSSCGKSA-N -1 3 335.411 3.829 20 0 EHADHM C[C@H](Nc1ccccc1OCC1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662445 609238664 /nfs/dbraw/zinc/23/86/64/609238664.db2.gz KLQGAYAHVLGPHQ-ZDUSSCGKSA-N -1 3 335.411 3.829 20 0 EHADHM Cc1ccc(C)c2sc(NCc3cc(-c4nnn[n-]4)cs3)nc21 ZINC000826284713 609264712 /nfs/dbraw/zinc/26/47/12/609264712.db2.gz CLBOLZPWUGEGJX-UHFFFAOYSA-N -1 3 342.453 3.767 20 0 EHADHM Cc1ccc(C)c2sc(NCc3cc(-c4nn[n-]n4)cs3)nc21 ZINC000826284713 609264713 /nfs/dbraw/zinc/26/47/13/609264713.db2.gz CLBOLZPWUGEGJX-UHFFFAOYSA-N -1 3 342.453 3.767 20 0 EHADHM C[C@H](Nc1ccc(N(C)C)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824658346 609276453 /nfs/dbraw/zinc/27/64/53/609276453.db2.gz WFMORSIPDWJTGO-NSHDSACASA-N -1 3 342.834 3.759 20 0 EHADHM C[C@H](Nc1ccc(N(C)C)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824658346 609276454 /nfs/dbraw/zinc/27/64/54/609276454.db2.gz WFMORSIPDWJTGO-NSHDSACASA-N -1 3 342.834 3.759 20 0 EHADHM COc1cc(C)ccc1N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826178374 609276766 /nfs/dbraw/zinc/27/67/66/609276766.db2.gz VPIVKUJTFBKNFS-INIZCTEOSA-N -1 3 335.411 3.673 20 0 EHADHM COc1cc(C)ccc1N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826178374 609276767 /nfs/dbraw/zinc/27/67/67/609276767.db2.gz VPIVKUJTFBKNFS-INIZCTEOSA-N -1 3 335.411 3.673 20 0 EHADHM COc1ccc(Cl)c(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826208574 609281895 /nfs/dbraw/zinc/28/18/95/609281895.db2.gz QNGRSTIYECDHQF-JTQLQIEISA-N -1 3 329.791 3.702 20 0 EHADHM COc1ccc(Cl)c(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826208574 609281897 /nfs/dbraw/zinc/28/18/97/609281897.db2.gz QNGRSTIYECDHQF-JTQLQIEISA-N -1 3 329.791 3.702 20 0 EHADHM Cc1cc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)nn1-c1ccccc1 ZINC000826270767 609281934 /nfs/dbraw/zinc/28/19/34/609281934.db2.gz OFLLMDUMCNGJBT-CQSZACIVSA-N -1 3 345.410 3.534 20 0 EHADHM Cc1cc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)nn1-c1ccccc1 ZINC000826270767 609281936 /nfs/dbraw/zinc/28/19/36/609281936.db2.gz OFLLMDUMCNGJBT-CQSZACIVSA-N -1 3 345.410 3.534 20 0 EHADHM CCOc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000825654327 609346343 /nfs/dbraw/zinc/34/63/43/609346343.db2.gz XIOPZBCYAQFBKY-LLVKDONJSA-N -1 3 327.363 3.578 20 0 EHADHM CCOc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000825654327 609346345 /nfs/dbraw/zinc/34/63/45/609346345.db2.gz XIOPZBCYAQFBKY-LLVKDONJSA-N -1 3 327.363 3.578 20 0 EHADHM CCOc1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)ccc1C ZINC000825616147 609349934 /nfs/dbraw/zinc/34/99/34/609349934.db2.gz XYJJVEPATPWIJV-GFCCVEGCSA-N -1 3 341.390 3.886 20 0 EHADHM CCOc1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)ccc1C ZINC000825616147 609349936 /nfs/dbraw/zinc/34/99/36/609349936.db2.gz XYJJVEPATPWIJV-GFCCVEGCSA-N -1 3 341.390 3.886 20 0 EHADHM CCN(C(=O)[C@H]1CCC(C)(C)C1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367508 609376009 /nfs/dbraw/zinc/37/60/09/609376009.db2.gz RLPUMWFNSLGJNS-CJNGLKHVSA-N -1 3 341.459 3.603 20 0 EHADHM CCN(C(=O)[C@H]1CCC(C)(C)C1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367508 609376011 /nfs/dbraw/zinc/37/60/11/609376011.db2.gz RLPUMWFNSLGJNS-CJNGLKHVSA-N -1 3 341.459 3.603 20 0 EHADHM Cc1ccc2oc(S[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)nc2n1 ZINC000826295322 609492515 /nfs/dbraw/zinc/49/25/15/609492515.db2.gz CBYZJLCOTATZBA-JTQLQIEISA-N -1 3 338.396 3.565 20 0 EHADHM Cc1ccc2oc(S[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)nc2n1 ZINC000826295322 609492517 /nfs/dbraw/zinc/49/25/17/609492517.db2.gz CBYZJLCOTATZBA-JTQLQIEISA-N -1 3 338.396 3.565 20 0 EHADHM Fc1cccc(Cc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c1 ZINC000826377632 609505833 /nfs/dbraw/zinc/50/58/33/609505833.db2.gz ZMHNZVFNSGYOON-UHFFFAOYSA-N -1 3 337.383 3.720 20 0 EHADHM Fc1cccc(Cc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c1 ZINC000826377632 609505834 /nfs/dbraw/zinc/50/58/34/609505834.db2.gz ZMHNZVFNSGYOON-UHFFFAOYSA-N -1 3 337.383 3.720 20 0 EHADHM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000758160062 945271128 /nfs/dbraw/zinc/27/11/28/945271128.db2.gz QYJPSFDUNKGUCM-PKNBQFBNSA-N -1 3 339.786 3.562 20 0 EHADHM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000758160062 945271134 /nfs/dbraw/zinc/27/11/34/945271134.db2.gz QYJPSFDUNKGUCM-PKNBQFBNSA-N -1 3 339.786 3.562 20 0 EHADHM CC(C)(CNc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1CCCCO1 ZINC000819984583 945322870 /nfs/dbraw/zinc/32/28/70/945322870.db2.gz YUROBCHYARZTEK-CQSZACIVSA-N -1 3 335.839 3.527 20 0 EHADHM CC(C)(CNc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1CCCCO1 ZINC000819984583 945322877 /nfs/dbraw/zinc/32/28/77/945322877.db2.gz YUROBCHYARZTEK-CQSZACIVSA-N -1 3 335.839 3.527 20 0 EHADHM Brc1cc(NCC2(C3CC3)CCC2)ccc1-c1nnn[n-]1 ZINC001573279076 946630905 /nfs/dbraw/zinc/63/09/05/946630905.db2.gz DSIPBRYBTQYCPB-UHFFFAOYSA-N -1 3 348.248 3.621 20 0 EHADHM Brc1cc(NCC2(C3CC3)CCC2)ccc1-c1nn[n-]n1 ZINC001573279076 946630911 /nfs/dbraw/zinc/63/09/11/946630911.db2.gz DSIPBRYBTQYCPB-UHFFFAOYSA-N -1 3 348.248 3.621 20 0 EHADHM C[C@H](OC(=O)CCCc1ccsc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824713896 946910582 /nfs/dbraw/zinc/91/05/82/946910582.db2.gz KQOPRONFSHRDAL-LBPRGKRZSA-N -1 3 342.424 3.555 20 0 EHADHM C[C@H](OC(=O)CCCc1ccsc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824713896 946910595 /nfs/dbraw/zinc/91/05/95/946910595.db2.gz KQOPRONFSHRDAL-LBPRGKRZSA-N -1 3 342.424 3.555 20 0 EHADHM C1=C[C@@H](CCCNc2ncc(-c3nnn[n-]3)c3ccsc32)CC1 ZINC001573292059 946928163 /nfs/dbraw/zinc/92/81/63/946928163.db2.gz NPDXKQNWLFCPHC-LLVKDONJSA-N -1 3 326.429 3.635 20 0 EHADHM C1=C[C@@H](CCCNc2ncc(-c3nn[n-]n3)c3ccsc32)CC1 ZINC001573292059 946928170 /nfs/dbraw/zinc/92/81/70/946928170.db2.gz NPDXKQNWLFCPHC-LLVKDONJSA-N -1 3 326.429 3.635 20 0 EHADHM C[C@@H]1CCC(=CC(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)C1 ZINC000824899102 946981232 /nfs/dbraw/zinc/98/12/32/946981232.db2.gz IAMRFYXOEBUKGQ-UBYNWHESSA-N -1 3 345.472 3.911 20 0 EHADHM C[C@@H]1CCC(=CC(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)C1 ZINC000824899102 946981223 /nfs/dbraw/zinc/98/12/23/946981223.db2.gz IAMRFYXOEBUKGQ-UBYNWHESSA-N -1 3 345.472 3.911 20 0 EHADHM C[C@@H]1CC/C(=C/C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)C1 ZINC000824899102 946981243 /nfs/dbraw/zinc/98/12/43/946981243.db2.gz IAMRFYXOEBUKGQ-UBYNWHESSA-N -1 3 345.472 3.911 20 0 EHADHM Cc1c(Cl)cnc(N2CCCC[C@@H]2c2ccco2)c1-c1nnn[n-]1 ZINC000826237713 947697227 /nfs/dbraw/zinc/69/72/27/947697227.db2.gz JBYMITWDJXUTCF-GFCCVEGCSA-N -1 3 344.806 3.548 20 0 EHADHM Cc1c(Cl)cnc(N2CCCC[C@@H]2c2ccco2)c1-c1nn[n-]n1 ZINC000826237713 947697235 /nfs/dbraw/zinc/69/72/35/947697235.db2.gz JBYMITWDJXUTCF-GFCCVEGCSA-N -1 3 344.806 3.548 20 0 EHADHM c1csc(-c2ccc(NCc3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000826526437 948463763 /nfs/dbraw/zinc/46/37/63/948463763.db2.gz YWNQMBBPZRIZMR-UHFFFAOYSA-N -1 3 334.408 3.602 20 0 EHADHM c1csc(-c2ccc(NCc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000826526437 948463770 /nfs/dbraw/zinc/46/37/70/948463770.db2.gz YWNQMBBPZRIZMR-UHFFFAOYSA-N -1 3 334.408 3.602 20 0 EHADHM CC(C)(C)C1CCC(=CC(=O)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC001470788454 948535477 /nfs/dbraw/zinc/53/54/77/948535477.db2.gz WGSABEUQTCBCLJ-UHFFFAOYSA-N -1 3 339.443 3.968 20 0 EHADHM CC(C)(C)C1CCC(=CC(=O)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC001470788454 948535486 /nfs/dbraw/zinc/53/54/86/948535486.db2.gz WGSABEUQTCBCLJ-UHFFFAOYSA-N -1 3 339.443 3.968 20 0 EHADHM CCCOc1ccc(CN[C@H](C(=O)[O-])c2cccc(C)c2)cc1OC ZINC001589681019 950047543 /nfs/dbraw/zinc/04/75/43/950047543.db2.gz CLPSGLQEUYNJHY-IBGZPJMESA-N -1 3 343.423 3.708 20 0 EHADHM C[C@H](CC(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001574519123 950669708 /nfs/dbraw/zinc/66/97/08/950669708.db2.gz BEYSOXYXEMLLDF-CYBMUJFWSA-N -1 3 347.422 3.876 20 0 EHADHM C[C@H](CC(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001574519123 950669716 /nfs/dbraw/zinc/66/97/16/950669716.db2.gz BEYSOXYXEMLLDF-CYBMUJFWSA-N -1 3 347.422 3.876 20 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/nfs/dbraw/zinc/89/76/03/1024897603.db2.gz AJUYOLCLYWTXEW-UHFFFAOYSA-N -1 3 347.205 3.761 20 0 EHADHM CC[C@@H]1CCCCCN1C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000895873401 1024921050 /nfs/dbraw/zinc/92/10/50/1024921050.db2.gz SPJKODFXGDULGM-LLVKDONJSA-N -1 3 334.366 3.601 20 0 EHADHM C[C@@H](C(=O)N=c1cc(-c2ccccc2)[n-][nH]1)c1ccc(Cl)s1 ZINC000428042409 1024953848 /nfs/dbraw/zinc/95/38/48/1024953848.db2.gz MAECYKAIXCSTOJ-SNVBAGLBSA-N -1 3 331.828 3.956 20 0 EHADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(c3cccc(F)c3F)CC2)n1 ZINC000515124150 1025036624 /nfs/dbraw/zinc/03/66/24/1025036624.db2.gz AWBIALBHJFQSSG-LBPRGKRZSA-N -1 3 333.382 3.709 20 0 EHADHM Cc1cnc([C@@H](C)[N-]C(=O)C(F)(F)c2cnc(Cl)c(C)c2)s1 ZINC000934242280 1025036877 /nfs/dbraw/zinc/03/68/77/1025036877.db2.gz CRDCQXPCNFZGGS-SECBINFHSA-N -1 3 345.802 3.778 20 0 EHADHM Cc1noc(C)c1C(C)(C)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000435764172 1025125949 /nfs/dbraw/zinc/12/59/49/1025125949.db2.gz XSXYSSSOICXHLD-UHFFFAOYSA-N -1 3 342.317 3.932 20 0 EHADHM O=C(c1ccc(O)cc1[O-])N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000116137056 1025202822 /nfs/dbraw/zinc/20/28/22/1025202822.db2.gz JFCNNKUWULNALL-HNNXBMFYSA-N -1 3 349.839 3.682 20 0 EHADHM CSc1cccnc1[N-]C(=O)c1sc([C@@H]2CCCOC2)nc1C ZINC000652877508 1025223779 /nfs/dbraw/zinc/22/37/79/1025223779.db2.gz AZQGSRGUQZWJIT-LLVKDONJSA-N -1 3 349.481 3.715 20 0 EHADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000521312149 1025316289 /nfs/dbraw/zinc/31/62/89/1025316289.db2.gz SQKUPTXOBOLHTQ-HZPDHXFCSA-N -1 3 344.374 3.960 20 0 EHADHM CO[C@@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])[C@@H](C)C1 ZINC000281694229 1025382222 /nfs/dbraw/zinc/38/22/22/1025382222.db2.gz GJBQGCSABUCCDE-GOEBONIOSA-N -1 3 341.407 3.824 20 0 EHADHM O=C(Nc1c([O-])cccc1Cl)c1cnc(-c2ccccn2)s1 ZINC000515714345 1025509772 /nfs/dbraw/zinc/50/97/72/1025509772.db2.gz QQOWOSHQXDJFSM-UHFFFAOYSA-N -1 3 331.784 3.816 20 0 EHADHM COCCn1cc(C(=O)Nc2c([O-])cccc2Cl)c2ccccc21 ZINC000582210334 1025584303 /nfs/dbraw/zinc/58/43/03/1025584303.db2.gz KPWYRMOSSKOWSK-UHFFFAOYSA-N -1 3 344.798 3.899 20 0 EHADHM CN(C(=O)C1CC1)c1ccc(NCc2c(F)ccc([O-])c2F)cc1 ZINC000896564707 1025609405 /nfs/dbraw/zinc/60/94/05/1025609405.db2.gz HCNAVEBWFCFENU-UHFFFAOYSA-N -1 3 332.350 3.655 20 0 EHADHM CCc1ccc(C(=O)N2CCCC[C@H]2c2nccn2CC)c([O-])c1 ZINC000281887324 1025660788 /nfs/dbraw/zinc/66/07/88/1025660788.db2.gz SRPOSSAWUCLEHX-INIZCTEOSA-N -1 3 327.428 3.538 20 0 EHADHM CO[C@@H](CS(=O)(=O)[N-]c1ccccc1-c1ccccc1)C1CC1 ZINC000564955200 1025763404 /nfs/dbraw/zinc/76/34/04/1025763404.db2.gz VSADRNXLHAFOTH-SFHVURJKSA-N -1 3 331.437 3.520 20 0 EHADHM CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cccc(C)c2[O-])c(C)c1 ZINC000436546490 1025846917 /nfs/dbraw/zinc/84/69/17/1025846917.db2.gz FXRRXPKPFWWPJM-CQSZACIVSA-N -1 3 340.423 3.790 20 0 EHADHM COc1ccc(C(=O)NC2CCC(c3ccccc3)CC2)c([O-])c1 ZINC000436518412 1025848290 /nfs/dbraw/zinc/84/82/90/1025848290.db2.gz RIYKMDUNGJAZJF-UHFFFAOYSA-N -1 3 325.408 3.857 20 0 EHADHM Cc1ccc(C(=O)Nc2ccc(C(=O)NC(C)C)c(C)c2)c([O-])c1C ZINC000436554543 1025861491 /nfs/dbraw/zinc/86/14/91/1025861491.db2.gz JTTJKXBBXFGMAB-UHFFFAOYSA-N -1 3 340.423 3.708 20 0 EHADHM O=C(NC1CCSCC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436543794 1025876415 /nfs/dbraw/zinc/87/64/15/1025876415.db2.gz JNMMVTUEAQQSPS-UHFFFAOYSA-N -1 3 329.421 3.810 20 0 EHADHM Cc1ccc(C(=O)N[C@H](C)c2nc(C3CCCCC3)no2)c([O-])c1 ZINC000436575952 1025877579 /nfs/dbraw/zinc/87/75/79/1025877579.db2.gz PQROQPDJMVZXQD-GFCCVEGCSA-N -1 3 329.400 3.622 20 0 EHADHM COc1ccc(OC(F)F)c(NC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000436558221 1025885204 /nfs/dbraw/zinc/88/52/04/1025885204.db2.gz PFXOKELMGCRERE-UHFFFAOYSA-N -1 3 337.322 3.871 20 0 EHADHM Cc1ncsc1CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436565617 1025892475 /nfs/dbraw/zinc/89/24/75/1025892475.db2.gz SWJUZVCZNHXXDW-UHFFFAOYSA-N -1 3 340.404 3.879 20 0 EHADHM COc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2c2ccc(C)o2)c([O-])c1 ZINC000436573934 1025906429 /nfs/dbraw/zinc/90/64/29/1025906429.db2.gz JNTVXXQZZMMHRJ-WBMJQRKESA-N -1 3 329.396 3.916 20 0 EHADHM COc1c(F)cc(F)cc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436587703 1025927630 /nfs/dbraw/zinc/92/76/30/1025927630.db2.gz QFDMFWDEOCJXCK-UHFFFAOYSA-N -1 3 349.333 3.645 20 0 EHADHM Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000436587114 1025927949 /nfs/dbraw/zinc/92/79/49/1025927949.db2.gz VLHXUCWFGSOQGA-GFCCVEGCSA-N -1 3 339.370 3.516 20 0 EHADHM Cc1ncc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])s1 ZINC000436613276 1025946708 /nfs/dbraw/zinc/94/67/08/1025946708.db2.gz UJZCREQQWIIMOA-UHFFFAOYSA-N -1 3 338.432 3.678 20 0 EHADHM CCOCCCCNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436615892 1025949123 /nfs/dbraw/zinc/94/91/23/1025949123.db2.gz HLLLMNZYPODXDQ-UHFFFAOYSA-N -1 3 327.424 3.530 20 0 EHADHM CC(C)c1ccc(C(=O)NC[C@@H]2CCOc3ccccc32)c([O-])c1 ZINC000436676235 1026025993 /nfs/dbraw/zinc/02/59/93/1026025993.db2.gz YHMNNRYAYOVQAE-HNNXBMFYSA-N -1 3 325.408 3.812 20 0 EHADHM COc1cc(-c2nc(CCCc3ccsc3)no2)cc(OC)c1[O-] ZINC000436687935 1026043140 /nfs/dbraw/zinc/04/31/40/1026043140.db2.gz JWCFKDBAAMSOQF-UHFFFAOYSA-N -1 3 346.408 3.696 20 0 EHADHM COc1cc(-c2nc([C@H](C)c3ccc(C)cc3)no2)cc(OC)c1[O-] ZINC000436689807 1026044694 /nfs/dbraw/zinc/04/46/94/1026044694.db2.gz OQSMEZVHMBKCIY-GFCCVEGCSA-N -1 3 340.379 3.920 20 0 EHADHM COc1cc(-c2nc([C@H](C)c3ccccc3C)no2)cc(OC)c1[O-] ZINC000436691247 1026050402 /nfs/dbraw/zinc/05/04/02/1026050402.db2.gz TVRITXYYUNIVBG-GFCCVEGCSA-N -1 3 340.379 3.920 20 0 EHADHM Cc1ccc2[nH]c(SCc3noc(-c4ccccc4[O-])n3)nc2c1 ZINC000436703240 1026066843 /nfs/dbraw/zinc/06/68/43/1026066843.db2.gz GJPCFJJROQGXQB-UHFFFAOYSA-N -1 3 338.392 3.919 20 0 EHADHM Cc1ccc2nc(SCc3noc(-c4ccccc4[O-])n3)[nH]c2c1 ZINC000436703240 1026066856 /nfs/dbraw/zinc/06/68/56/1026066856.db2.gz GJPCFJJROQGXQB-UHFFFAOYSA-N -1 3 338.392 3.919 20 0 EHADHM Cc1cc(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])nc(C)n1 ZINC000436716933 1026084829 /nfs/dbraw/zinc/08/48/29/1026084829.db2.gz AWEURPPWXNXXNO-UHFFFAOYSA-N -1 3 349.390 3.521 20 0 EHADHM O=C(c1ccccc1[O-])N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000436716703 1026086711 /nfs/dbraw/zinc/08/67/11/1026086711.db2.gz BXBYWWPXJSWEFI-HNNXBMFYSA-N -1 3 333.840 3.976 20 0 EHADHM O=C([N-]c1csnc1-c1ccccc1)c1ncn(-c2ccccc2)n1 ZINC000436717744 1026087721 /nfs/dbraw/zinc/08/77/21/1026087721.db2.gz CTJMLLQFIUIVJW-UHFFFAOYSA-N -1 3 347.403 3.643 20 0 EHADHM O=c1cc(CN2CC[C@@H](c3ccco3)C2)c2cc(Cl)c([O-])cc2o1 ZINC000375697404 1026090263 /nfs/dbraw/zinc/09/02/63/1026090263.db2.gz LNBMORZIBNPCDG-LLVKDONJSA-N -1 3 345.782 3.735 20 0 EHADHM Cc1ccc(C(=O)Nc2cccc(N3CCCCC3=O)c2)c([O-])c1C ZINC000436761044 1026130757 /nfs/dbraw/zinc/13/07/57/1026130757.db2.gz HHPZRHWWGDLNIZ-UHFFFAOYSA-N -1 3 338.407 3.778 20 0 EHADHM COc1ccc(C(=O)N2CC[C@H](c3ccccc3)C[C@H]2C)c([O-])c1 ZINC000436749324 1026138098 /nfs/dbraw/zinc/13/80/98/1026138098.db2.gz JOGYUKXIQBYCTL-ZBFHGGJFSA-N -1 3 325.408 3.809 20 0 EHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(C(C)C)nc3)cc2)n1 ZINC000122255290 1026335051 /nfs/dbraw/zinc/33/50/51/1026335051.db2.gz JMAJSCAGBJAKEP-UHFFFAOYSA-N -1 3 348.406 3.516 20 0 EHADHM CCc1cc(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])on1 ZINC000530852359 1026351454 /nfs/dbraw/zinc/35/14/54/1026351454.db2.gz DQPVZEALKQJONX-UHFFFAOYSA-N -1 3 338.363 3.665 20 0 EHADHM CSc1ccc([O-])c(C(=O)N(C)CCOc2ccccc2C)c1 ZINC000665605299 1026389460 /nfs/dbraw/zinc/38/94/60/1026389460.db2.gz CPABXUOCFIXAKV-UHFFFAOYSA-N -1 3 331.437 3.574 20 0 EHADHM C[C@H]1CCCC[C@H]1OCC(=O)Nc1cc(Br)ccc1[O-] ZINC000530917324 1026396894 /nfs/dbraw/zinc/39/68/94/1026396894.db2.gz GEJNMIBYBHHSLZ-IINYFYTJSA-N -1 3 342.233 3.689 20 0 EHADHM Cc1noc(C2CC2)c1[N-]C(=O)c1sc([C@@H]2CCCO2)nc1C ZINC000342612953 1026466398 /nfs/dbraw/zinc/46/63/98/1026466398.db2.gz WEZDKOKOKFZLTN-NSHDSACASA-N -1 3 333.413 3.729 20 0 EHADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC(CF)CC1 ZINC000452596405 1026867967 /nfs/dbraw/zinc/86/79/67/1026867967.db2.gz XRKRNNBPNBGTNJ-UHFFFAOYSA-N -1 3 327.399 3.805 20 0 EHADHM Cc1ccc(CC(=O)NCc2ccc([O-])c(Br)c2)cc1C ZINC000531762696 1027330988 /nfs/dbraw/zinc/33/09/88/1027330988.db2.gz PRHYXJDWWCMCOV-UHFFFAOYSA-N -1 3 348.240 3.630 20 0 EHADHM C[C@@H]1CCC[C@H](OCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC000531783181 1027376280 /nfs/dbraw/zinc/37/62/80/1027376280.db2.gz PDVKAOQYOGJFES-PWSUYJOCSA-N -1 3 331.334 3.945 20 0 EHADHM CC[C@](C)(CNCc1csc(COc2ccc(C)cc2)n1)C(=O)[O-] ZINC000277876650 1027568492 /nfs/dbraw/zinc/56/84/92/1027568492.db2.gz CGSBRAPANKZYDE-GOSISDBHSA-N -1 3 348.468 3.621 20 0 EHADHM C[C@H](c1nc2ccccc2s1)N(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459340711 1027730455 /nfs/dbraw/zinc/73/04/55/1027730455.db2.gz BWQYNUGSSLVZNB-LLVKDONJSA-N -1 3 340.452 3.862 20 0 EHADHM O=C([O-])CC[C@H]1CCCCN1Cc1sccc1Br ZINC000050925803 1027981336 /nfs/dbraw/zinc/98/13/36/1027981336.db2.gz JNARMWRHEGEGGT-SNVBAGLBSA-N -1 3 332.263 3.730 20 0 EHADHM COC(=O)c1cccc2nc(Nc3ccc([O-])c(F)c3F)sc21 ZINC001211997753 1028256380 /nfs/dbraw/zinc/25/63/80/1028256380.db2.gz JXHFRAKNTWFWIX-UHFFFAOYSA-N -1 3 336.319 3.810 20 0 EHADHM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)o1 ZINC000502752495 1028636106 /nfs/dbraw/zinc/63/61/06/1028636106.db2.gz RALXZBGABYDKCC-BVUBDWEXSA-N -1 3 347.418 3.957 20 0 EHADHM COC(=O)c1cc(Cl)c(Nc2ccc([O-])c(F)c2F)cc1OC ZINC001212016338 1028741796 /nfs/dbraw/zinc/74/17/96/1028741796.db2.gz LEHOMHXZWVGHFB-UHFFFAOYSA-N -1 3 343.713 3.863 20 0 EHADHM CSc1nnc(-c2noc(-c3cc4ccccc4cc3[O-])n2)s1 ZINC000445604715 1028965877 /nfs/dbraw/zinc/96/58/77/1028965877.db2.gz MDXZWAZELOYTDV-UHFFFAOYSA-N -1 3 342.405 3.836 20 0 EHADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)c(C)c1 ZINC000614883619 1029032056 /nfs/dbraw/zinc/03/20/56/1029032056.db2.gz PPHYSCLBOAAGPL-UHFFFAOYSA-N -1 3 349.452 3.902 20 0 EHADHM CSc1nc(NC(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)n[n-]1 ZINC000524302332 1029064840 /nfs/dbraw/zinc/06/48/40/1029064840.db2.gz XWDRFMFTHSFWEP-QMMMGPOBSA-N -1 3 344.362 3.678 20 0 EHADHM C[C@@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)c2ccccc21 ZINC000076994964 1029069283 /nfs/dbraw/zinc/06/92/83/1029069283.db2.gz CNQZBWBLLIBMIO-GFCCVEGCSA-N -1 3 331.375 3.793 20 0 EHADHM C[C@H](C[N-]S(=O)(=O)c1ccco1)c1c(Cl)cccc1Cl ZINC000445739872 1029088986 /nfs/dbraw/zinc/08/89/86/1029088986.db2.gz LHOYJXJNMYFNCS-SECBINFHSA-N -1 3 334.224 3.668 20 0 EHADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(-n2cc[nH]c2=S)cc1 ZINC000179196896 1029106436 /nfs/dbraw/zinc/10/64/36/1029106436.db2.gz GTIOYGBIWUQGCJ-UHFFFAOYSA-N -1 3 345.811 3.772 20 0 EHADHM Cc1cc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c(C)cn1 ZINC000533010053 1029192598 /nfs/dbraw/zinc/19/25/98/1029192598.db2.gz UAPNQZULYCOKJU-UHFFFAOYSA-N -1 3 338.432 3.588 20 0 EHADHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)s1)Oc1ccccc1 ZINC000524452182 1029203616 /nfs/dbraw/zinc/20/36/16/1029203616.db2.gz CTWPKPOFPSNUMF-UHFFFAOYSA-N -1 3 345.873 3.537 20 0 EHADHM Cc1cc(-c2noc([C@@H](C)[N-]C(=O)C(C)(Cl)Cl)n2)ccc1F ZINC000271992678 1029262754 /nfs/dbraw/zinc/26/27/54/1029262754.db2.gz HCQVUTILNNBGKG-MRVPVSSYSA-N -1 3 346.189 3.555 20 0 EHADHM [O-]c1cc(Br)cnc1Nc1cc(Cl)nc(Cl)c1 ZINC001212087415 1029404077 /nfs/dbraw/zinc/40/40/77/1029404077.db2.gz IJIKEILFCNZJRQ-UHFFFAOYSA-N -1 3 334.988 3.995 20 0 EHADHM Cc1cc(F)ccc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000155266123 1029488752 /nfs/dbraw/zinc/48/87/52/1029488752.db2.gz KGCNZTQBIXVBOI-UHFFFAOYSA-N -1 3 328.318 3.675 20 0 EHADHM CCCn1ccc2cc(NC(=O)c3cc4c(cc3[O-])OCO4)ccc21 ZINC001625981919 1029505294 /nfs/dbraw/zinc/50/52/94/1029505294.db2.gz RZDNPSXZLJASEI-UHFFFAOYSA-N -1 3 338.363 3.738 20 0 EHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1cc(F)ccc1F ZINC000524870616 1029575995 /nfs/dbraw/zinc/57/59/95/1029575995.db2.gz MBMANGYVDDBAAV-CQSZACIVSA-N -1 3 347.333 3.673 20 0 EHADHM [O-]c1ccc(CNc2ncnc3sccc32)cc1Br ZINC000155652219 1029612387 /nfs/dbraw/zinc/61/23/87/1029612387.db2.gz HNTYTVZMFHDHIZ-UHFFFAOYSA-N -1 3 336.214 3.772 20 0 EHADHM C[C@H](c1ncc(-c2ccccc2)o1)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000263042503 1029661111 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COc1ccnc(Br)c1Nc1ccc(Cl)c([O-])c1 ZINC001212590695 1132776090 /nfs/dbraw/zinc/77/60/90/1132776090.db2.gz YXDNKHIPUHRUQG-UHFFFAOYSA-N -1 3 329.581 3.955 20 0 EHADHM Cc1cc(-c2ccc(NCc3ncccc3[O-])nn2)ccc1Cl ZINC001169731796 1132843404 /nfs/dbraw/zinc/84/34/04/1132843404.db2.gz QPESOFOUVCFFEE-UHFFFAOYSA-N -1 3 326.787 3.818 20 0 EHADHM CN(C)C(=O)c1cc(Nc2ccc([O-])c(F)c2F)ccc1Cl ZINC001176151849 1132864789 /nfs/dbraw/zinc/86/47/89/1132864789.db2.gz ONUJFHGRDXPFAI-UHFFFAOYSA-N -1 3 326.730 3.769 20 0 EHADHM CCOC(Cc1c(=O)[n-]cnc1NC=Cc1ccc(C)cc1)OCC ZINC001176423804 1132935896 /nfs/dbraw/zinc/93/58/96/1132935896.db2.gz KZUSFCZWBHGVBQ-ZHACJKMWSA-N -1 3 343.427 3.515 20 0 EHADHM O=C(c1cc2ccccc2cc1[O-])N1CCC(Nc2ccccn2)CC1 ZINC001178094438 1133135052 /nfs/dbraw/zinc/13/50/52/1133135052.db2.gz HXFPYAGDPSWCEV-UHFFFAOYSA-N -1 3 347.418 3.657 20 0 EHADHM CC(=O)[C@@H](Cc1ccccc1F)OC(=O)c1cccc(Cl)c1[O-] ZINC000768830216 1133190012 /nfs/dbraw/zinc/19/00/12/1133190012.db2.gz DLDMDIGFDISXJN-OAHLLOKOSA-N -1 3 336.746 3.542 20 0 EHADHM O=C(Cc1cc(C(F)(F)F)cc(Cl)c1F)Nc1ncccc1[O-] ZINC001179982019 1133309470 /nfs/dbraw/zinc/30/94/70/1133309470.db2.gz ZRQDGSREYSHLCC-UHFFFAOYSA-N -1 3 348.683 3.780 20 0 EHADHM Cc1ccc([O-])c(NC(=O)[C@](O)(c2ccccc2)C2CCCCC2)n1 ZINC001180212618 1133344765 /nfs/dbraw/zinc/34/47/65/1133344765.db2.gz XNYDCPOCLQQTEL-FQEVSTJZSA-N -1 3 340.423 3.502 20 0 EHADHM C[C@@H]1CCc2ccccc2[C@H]1NCc1ncc(Br)cc1[O-] ZINC001180326581 1133362223 /nfs/dbraw/zinc/36/22/23/1133362223.db2.gz MBBVGUVGGFLALQ-DIFFPNOSSA-N -1 3 347.256 3.963 20 0 EHADHM CCc1ccc(S(=O)(=O)[N-]c2cccc(OC)c2F)cc1CC ZINC000769890804 1133364041 /nfs/dbraw/zinc/36/40/41/1133364041.db2.gz OSDOZNOFTFKNHL-UHFFFAOYSA-N -1 3 337.416 3.760 20 0 EHADHM CC1CCN(c2ccc(NC(=O)c3c([O-])cccc3O)cc2)CC1 ZINC000770408006 1133424108 /nfs/dbraw/zinc/42/41/08/1133424108.db2.gz CVZLBLJOEAIYJN-UHFFFAOYSA-N -1 3 326.396 3.586 20 0 EHADHM COc1ccc2cccc(CC(=O)Nc3ccc(F)c([O-])c3)c2c1 ZINC001181237725 1133473197 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Cc1ccccc1NC(=O)COC(=O)c1cc2sccc2c([O-])c1 ZINC000786130240 1133811919 /nfs/dbraw/zinc/81/19/19/1133811919.db2.gz CDGHMKSCUCIREF-UHFFFAOYSA-N -1 3 341.388 3.711 20 0 EHADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccnn1C1CCCC1 ZINC000786867238 1133913997 /nfs/dbraw/zinc/91/39/97/1133913997.db2.gz WRSZGCDPJBPTBF-UHFFFAOYSA-N -1 3 331.391 3.804 20 0 EHADHM CN1CCCc2cc(NC(=O)CCCc3ccc([O-])c(F)c3)ccc21 ZINC000786934252 1133931444 /nfs/dbraw/zinc/93/14/44/1133931444.db2.gz HYOCYZHDNKRTHK-UHFFFAOYSA-N -1 3 342.414 3.875 20 0 EHADHM CC(C)CC[C@@H](C)[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001184523804 1133949252 /nfs/dbraw/zinc/94/92/52/1133949252.db2.gz JSZDKFJAGAKWIA-CYBMUJFWSA-N -1 3 338.498 3.913 20 0 EHADHM Cc1ccc(CNC(=O)Nc2c([O-])cccc2Br)cc1 ZINC001185401526 1134079041 /nfs/dbraw/zinc/07/90/41/1134079041.db2.gz QMNCHAJBIRGRCQ-UHFFFAOYSA-N -1 3 335.201 3.785 20 0 EHADHM Cc1cc(CCC(=O)[N-]OC2CCCC2)ccc1Br ZINC000774874495 1134082514 /nfs/dbraw/zinc/08/25/14/1134082514.db2.gz GRVBAYYFVSIFRV-UHFFFAOYSA-N -1 3 326.234 3.681 20 0 EHADHM O=C(Nc1ncc([O-])cc1Br)C12CCC(F)(CC1)CC2 ZINC001185522078 1134102620 /nfs/dbraw/zinc/10/26/20/1134102620.db2.gz FMQNHAXDZVXXLE-UHFFFAOYSA-N -1 3 343.196 3.551 20 0 EHADHM Cn1c(NC(=O)c2cc3sccc3c([O-])c2)nc2cc(F)ccc21 ZINC000788304789 1134105742 /nfs/dbraw/zinc/10/57/42/1134105742.db2.gz JPZJLNOQOQVQMU-UHFFFAOYSA-N -1 3 341.367 3.885 20 0 EHADHM COCc1cccc(CNC(=O)c2cc3sccc3c([O-])c2)c1 ZINC000788280908 1134107308 /nfs/dbraw/zinc/10/73/08/1134107308.db2.gz KCAAZKHMXGWKFV-UHFFFAOYSA-N -1 3 327.405 3.683 20 0 EHADHM Cc1cc(F)cc(Cl)c1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC001185687727 1134120112 /nfs/dbraw/zinc/12/01/12/1134120112.db2.gz XZLIZUKQRWWOMI-UHFFFAOYSA-N -1 3 335.187 3.637 20 0 EHADHM C[C@@H](CCc1ccccc1)C(=O)Nc1ncc([O-])cc1Br ZINC001186013977 1134159485 /nfs/dbraw/zinc/15/94/85/1134159485.db2.gz BELPKJFFCHMZMK-NSHDSACASA-N -1 3 349.228 3.757 20 0 EHADHM CC(C)P(CCNC(=O)c1cc(F)c(F)c([O-])c1F)C(C)C ZINC001186801899 1134254115 /nfs/dbraw/zinc/25/41/15/1134254115.db2.gz 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O=C(c1cc(Nc2cc([O-])c(F)cc2F)ccc1F)N1CCCC1 ZINC001188860670 1134513680 /nfs/dbraw/zinc/51/36/80/1134513680.db2.gz BMXWDOVYLODGDQ-UHFFFAOYSA-N -1 3 336.313 3.789 20 0 EHADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2Cl)c1 ZINC001189232470 1134554453 /nfs/dbraw/zinc/55/44/53/1134554453.db2.gz OIRONELLSIWWLP-UHFFFAOYSA-N -1 3 345.754 3.622 20 0 EHADHM O=S(=O)([N-][C@H]1CCCCC1(F)F)c1ccc(F)c2ccccc21 ZINC001189401210 1134582844 /nfs/dbraw/zinc/58/28/44/1134582844.db2.gz XILPZVPRFOAWPX-HNNXBMFYSA-N -1 3 343.370 3.835 20 0 EHADHM O=C(NCc1ncccc1[O-])Nc1c(Cl)cccc1C(F)(F)F ZINC001189496021 1134591996 /nfs/dbraw/zinc/59/19/96/1134591996.db2.gz QHSMHDQGMJQBHY-UHFFFAOYSA-N -1 3 345.708 3.781 20 0 EHADHM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1ccc(Cl)c(F)c1 ZINC001189687273 1134611375 /nfs/dbraw/zinc/61/13/75/1134611375.db2.gz PYXGEQDVCXBYPU-UHFFFAOYSA-N -1 3 335.734 3.699 20 0 EHADHM C[C@H]1CN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)c2ccccc2O1 ZINC001191057619 1134784880 /nfs/dbraw/zinc/78/48/80/1134784880.db2.gz KPNDSXMURFALON-AWEZNQCLSA-N -1 3 333.391 3.637 20 0 EHADHM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1nnc2ccccc2c1[O-] ZINC000792828091 1134797882 /nfs/dbraw/zinc/79/78/82/1134797882.db2.gz WNSJAMAOHQJHPY-CPUCHLNUSA-N -1 3 347.418 3.742 20 0 EHADHM COc1ccc(N[C@H]2CCC[C@@H](C(C)C)C2)cc1[N-]S(C)(=O)=O ZINC000792857972 1134800906 /nfs/dbraw/zinc/80/09/06/1134800906.db2.gz MYAXIVQLCYAUIO-KGLIPLIRSA-N -1 3 340.489 3.693 20 0 EHADHM COc1ccc(N[C@@H]2CCC[C@@H](C(C)C)C2)cc1[N-]S(C)(=O)=O ZINC000792857976 1134800918 /nfs/dbraw/zinc/80/09/18/1134800918.db2.gz MYAXIVQLCYAUIO-ZIAGYGMSSA-N -1 3 340.489 3.693 20 0 EHADHM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(O)ccc2Cl)c1 ZINC001191191908 1134823647 /nfs/dbraw/zinc/82/36/47/1134823647.db2.gz FBAUZELIJSVWFF-UHFFFAOYSA-N -1 3 348.811 3.703 20 0 EHADHM O=C([N-]c1cc(-c2ccc(OC(F)F)cc2)no1)Nc1ccccn1 ZINC001191298598 1134843882 /nfs/dbraw/zinc/84/38/82/1134843882.db2.gz AMMFURKOELGDQF-UHFFFAOYSA-N -1 3 346.293 3.982 20 0 EHADHM CCC[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cccnc1Cl ZINC001191339177 1134845281 /nfs/dbraw/zinc/84/52/81/1134845281.db2.gz AXVVDUJRSGEQNN-CHWSQXEVSA-N -1 3 330.881 3.620 20 0 EHADHM Cc1ccc(Cl)c(NC(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)c1 ZINC001191702085 1134901737 /nfs/dbraw/zinc/90/17/37/1134901737.db2.gz CYISPSBEYKDJNT-UHFFFAOYSA-N -1 3 344.758 3.647 20 0 EHADHM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2cnccc2F)c1Cl ZINC001191730526 1134909710 /nfs/dbraw/zinc/90/97/10/1134909710.db2.gz FSKQNWOXKYZCKL-UHFFFAOYSA-N -1 3 335.187 3.637 20 0 EHADHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccccc1F ZINC001191896161 1134940703 /nfs/dbraw/zinc/94/07/03/1134940703.db2.gz JKCCADQGTFZCOL-CQSZACIVSA-N -1 3 347.333 3.673 20 0 EHADHM CC[C@@H](C)CC[C@H](O)CC(=O)Nc1cc(Br)ccc1[O-] ZINC000793735878 1134986890 /nfs/dbraw/zinc/98/68/90/1134986890.db2.gz RZMFBWWERSWTPE-PWSUYJOCSA-N -1 3 344.249 3.671 20 0 EHADHM COC(=O)c1c(C)c(C)sc1[N-]C(=O)c1cc(-c2ccco2)on1 ZINC000793865318 1135002609 /nfs/dbraw/zinc/00/26/09/1135002609.db2.gz 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GSOQOVZWDXZOAS-GOSISDBHSA-N -1 3 347.418 3.517 20 0 EHADHM CC[C@@H](CC(=O)[N-]OCCCC(F)(F)F)c1ccc(OC)cc1 ZINC000871214636 1137527792 /nfs/dbraw/zinc/52/77/92/1137527792.db2.gz PXYNTSAFMGZWPA-LBPRGKRZSA-N -1 3 333.350 3.969 20 0 EHADHM FC(F)(F)c1nn[n-]c1-c1nc(-c2cccc3ccccc32)no1 ZINC001212653065 1137548777 /nfs/dbraw/zinc/54/87/77/1137548777.db2.gz WAXHQOFRCXJISZ-UHFFFAOYSA-N -1 3 331.257 3.694 20 0 EHADHM FC(F)(F)c1[n-]nnc1-c1nc(-c2cccc3ccccc32)no1 ZINC001212653065 1137548778 /nfs/dbraw/zinc/54/87/78/1137548778.db2.gz WAXHQOFRCXJISZ-UHFFFAOYSA-N -1 3 331.257 3.694 20 0 EHADHM CCCCc1ccc(-c2noc(-c3[n-]nnc3C(F)(F)F)n2)cc1 ZINC001212652935 1137548864 /nfs/dbraw/zinc/54/88/64/1137548864.db2.gz PJTNQUVZZRQBGX-UHFFFAOYSA-N -1 3 337.305 3.883 20 0 EHADHM CCCCc1ccc(-c2noc(-c3nn[n-]c3C(F)(F)F)n2)cc1 ZINC001212652935 1137548865 /nfs/dbraw/zinc/54/88/65/1137548865.db2.gz PJTNQUVZZRQBGX-UHFFFAOYSA-N -1 3 337.305 3.883 20 0 EHADHM CCc1cc2c(CN[C@@H](C)c3cnc(C)s3)cc(=O)oc2cc1[O-] ZINC000871908475 1137562885 /nfs/dbraw/zinc/56/28/85/1137562885.db2.gz KLSUKGJPRGMKEH-JTQLQIEISA-N -1 3 344.436 3.677 20 0 EHADHM C[C@H](N[C@@H](Cc1ccccc1)c1nccn1C)c1cccc([O-])c1F ZINC000872082820 1137570293 /nfs/dbraw/zinc/57/02/93/1137570293.db2.gz BMEUCMGAXNJPBP-YOEHRIQHSA-N -1 3 339.414 3.899 20 0 EHADHM CC[C@@H](c1ccc(Cl)cc1)N1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1 ZINC000872168608 1137574850 /nfs/dbraw/zinc/57/48/50/1137574850.db2.gz ZYMHTAXRDZDVAV-AVGNSLFASA-N -1 3 335.753 3.986 20 0 EHADHM FC(F)c1nnc([N-]Cc2cc(C(F)(F)F)cc(Cl)n2)o1 ZINC000872709354 1137583081 /nfs/dbraw/zinc/58/30/81/1137583081.db2.gz LVRYIPWKDVLHQT-UHFFFAOYSA-N -1 3 328.628 3.687 20 0 EHADHM CCCCOc1cc(CNCc2ccccc2C(=O)[O-])ccc1OC ZINC000874044525 1137609738 /nfs/dbraw/zinc/60/97/38/1137609738.db2.gz DNOVZJADFSAMEE-UHFFFAOYSA-N -1 3 343.423 3.862 20 0 EHADHM Cc1c2ccccc2oc(=O)c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000124821595 1137610344 /nfs/dbraw/zinc/61/03/44/1137610344.db2.gz PLEWTUWNOLTHHK-UHFFFAOYSA-N -1 3 329.739 3.713 20 0 EHADHM Cc1cc(Br)c(C=C2SC(=O)[N-]C2=O)cc1Cl ZINC000874929674 1137626441 /nfs/dbraw/zinc/62/64/41/1137626441.db2.gz MAJVBFMVHHISBA-WTKPLQERSA-N -1 3 332.606 3.735 20 0 EHADHM CCOc1ccc(C(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)cc1 ZINC000021730485 1137656303 /nfs/dbraw/zinc/65/63/03/1137656303.db2.gz FFUMJOBINJLWHD-UHFFFAOYSA-N -1 3 342.178 3.760 20 0 EHADHM C[C@]1(NCc2nnc(-c3ccccc3[O-])o2)CCCc2ccccc21 ZINC000878240299 1137708205 /nfs/dbraw/zinc/70/82/05/1137708205.db2.gz PIVNYYCPKMAKFJ-FQEVSTJZSA-N -1 3 335.407 3.784 20 0 EHADHM O=C(COC(=O)c1cc2ccsc2[n-]1)Nc1ccc2c(c1)CCC2 ZINC000023346039 1137748805 /nfs/dbraw/zinc/74/88/05/1137748805.db2.gz JDDZZCQYSKNKHM-UHFFFAOYSA-N -1 3 340.404 3.514 20 0 EHADHM CC(C)[C@@H](CO)ON=C([O-])Nc1nc(C2CCCCCC2)cs1 ZINC000880231042 1137771728 /nfs/dbraw/zinc/77/17/28/1137771728.db2.gz LJNATTQPBAVXRN-CQSZACIVSA-N -1 3 341.477 3.651 20 0 EHADHM CC(C)[C@@H](CO)O[N-]C(=O)Nc1nc(C2CCCCCC2)cs1 ZINC000880231042 1137771729 /nfs/dbraw/zinc/77/17/29/1137771729.db2.gz LJNATTQPBAVXRN-CQSZACIVSA-N -1 3 341.477 3.651 20 0 EHADHM O=c1cc(CNC2(c3c(F)cccc3F)CCC2)nc(C2CC2)[n-]1 ZINC000626178934 1137868021 /nfs/dbraw/zinc/86/80/21/1137868021.db2.gz OXOZMCMLHZOYAL-UHFFFAOYSA-N -1 3 331.366 3.507 20 0 EHADHM CCCNC(=O)Nc1c([O-])c(C(C)=O)ccc1OCc1ccccc1 ZINC001202595564 1137882961 /nfs/dbraw/zinc/88/29/61/1137882961.db2.gz CEYKYFHETKGQAC-UHFFFAOYSA-N -1 3 342.395 3.705 20 0 EHADHM O=C(OCc1cc2ccccc2c(Cl)n1)c1cccc2nn[n-]c21 ZINC000800207796 1137902535 /nfs/dbraw/zinc/90/25/35/1137902535.db2.gz GTBWBOQVGZOENK-UHFFFAOYSA-N -1 3 338.754 3.517 20 0 EHADHM O=C(OCc1cc2ccccc2c(Cl)n1)c1cccc2[n-]nnc21 ZINC000800207796 1137902536 /nfs/dbraw/zinc/90/25/36/1137902536.db2.gz GTBWBOQVGZOENK-UHFFFAOYSA-N -1 3 338.754 3.517 20 0 EHADHM O=C(OCc1cc2ccccc2c(Cl)n1)c1cccc2n[n-]nc21 ZINC000800207796 1137902537 /nfs/dbraw/zinc/90/25/37/1137902537.db2.gz GTBWBOQVGZOENK-UHFFFAOYSA-N -1 3 338.754 3.517 20 0 EHADHM Cc1cc(S(=O)(=O)[N-]c2ccc(C)cc2CN(C)C)c(C)s1 ZINC000114054313 1137915973 /nfs/dbraw/zinc/91/59/73/1137915973.db2.gz CIISGIIBCUUJEE-UHFFFAOYSA-N -1 3 338.498 3.536 20 0 EHADHM CC(=O)c1ccc(C(=O)N2CCCC[C@H]2c2ccc(C)o2)cc1[O-] ZINC000331937588 1137926345 /nfs/dbraw/zinc/92/63/45/1137926345.db2.gz QOTNIKYIYUVDSG-INIZCTEOSA-N -1 3 327.380 3.864 20 0 EHADHM CCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)cc1 ZINC000134446466 1137959557 /nfs/dbraw/zinc/95/95/57/1137959557.db2.gz YSGMTRIGENPKTN-UHFFFAOYSA-N -1 3 346.452 3.707 20 0 EHADHM CCCC[C@H](C(=O)OCc1nnc(-c2ccccc2[O-])o1)C(C)C ZINC000884587731 1137964005 /nfs/dbraw/zinc/96/40/05/1137964005.db2.gz PGXTULUQLIKSNL-ZDUSSCGKSA-N -1 3 332.400 3.948 20 0 EHADHM COc1ccc(C(=O)N2CCC[C@@]2(C)Cc2cccs2)c([O-])c1 ZINC000885258020 1137993574 /nfs/dbraw/zinc/99/35/74/1137993574.db2.gz ALQSQQGRKFZUEO-SFHVURJKSA-N -1 3 331.437 3.700 20 0 EHADHM O=C(N[C@H](C1CC1)[C@H]1CCCOC1)c1cc2sccc2c([O-])c1 ZINC000885479689 1138005201 /nfs/dbraw/zinc/00/52/01/1138005201.db2.gz USMRYFCGENRCJT-YVEFUNNKSA-N -1 3 331.437 3.542 20 0 EHADHM Cc1nocc1S(=O)(=O)[N-][C@@H]1CCC(C)(C)C[C@@H]1c1ccccc1 ZINC001671101009 1138044675 /nfs/dbraw/zinc/04/46/75/1138044675.db2.gz SEWJMXUXGXTJLW-HZPDHXFCSA-N -1 3 348.468 3.624 20 0 EHADHM Cc1nocc1S(=O)(=O)[N-][C@@H]1CCC(C)(C)C[C@H]1c1ccccc1 ZINC001671101010 1138044703 /nfs/dbraw/zinc/04/47/03/1138044703.db2.gz SEWJMXUXGXTJLW-JKSUJKDBSA-N -1 3 348.468 3.624 20 0 EHADHM CC[C@@H](C)n1ncc(C(=O)NCc2ccc([O-])c(F)c2)c1C1CC1 ZINC000089831200 1138206128 /nfs/dbraw/zinc/20/61/28/1138206128.db2.gz DWSPOZHXGLHVGU-LLVKDONJSA-N -1 3 331.391 3.506 20 0 EHADHM Cc1ccc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c([O-])c1 ZINC000092929419 1138232877 /nfs/dbraw/zinc/23/28/77/1138232877.db2.gz ZZADNMZAJNWMRS-WMZOPIPTSA-N -1 3 343.398 3.568 20 0 EHADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C2CC2)C2CCC(C)CC2)c1 ZINC000122013270 1138253488 /nfs/dbraw/zinc/25/34/88/1138253488.db2.gz JYDIUFVPFSQOMR-UHFFFAOYSA-N -1 3 330.428 3.534 20 0 EHADHM CC(C)(CNC(=O)c1cc([O-])c2ccccc2c1)C1CCOCC1 ZINC000887388874 1138298474 /nfs/dbraw/zinc/29/84/74/1138298474.db2.gz ZCGPYWITSSJFAR-UHFFFAOYSA-N -1 3 327.424 3.728 20 0 EHADHM COc1cc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)cc(OC)c1[O-] ZINC000132377448 1138577104 /nfs/dbraw/zinc/57/71/04/1138577104.db2.gz GCZAGVPEZZCOMW-HNNXBMFYSA-N -1 3 345.370 3.526 20 0 EHADHM O=C(Nc1ccc(Oc2ccccc2)cn1)c1cc(F)cc2n[n-]nc21 ZINC000337481555 1138581787 /nfs/dbraw/zinc/58/17/87/1138581787.db2.gz DVRGTKCHHQUFDX-UHFFFAOYSA-N -1 3 349.325 3.537 20 0 EHADHM Cc1c(C(=O)Nc2cc(Cl)ccc2[O-])cnn1-c1ccccc1F ZINC000337508672 1138589965 /nfs/dbraw/zinc/58/99/65/1138589965.db2.gz HJPOHHQTMMDOJO-UHFFFAOYSA-N -1 3 345.761 3.931 20 0 EHADHM CCC[C@H](C)N(C)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000337945222 1138703856 /nfs/dbraw/zinc/70/38/56/1138703856.db2.gz HTBPSIMSTACHER-LBPRGKRZSA-N -1 3 328.416 3.810 20 0 EHADHM Cc1cccc([C@H](NCc2cnc(C)[n-]c2=O)c2cccc(F)c2)c1 ZINC000338016512 1138724947 /nfs/dbraw/zinc/72/49/47/1138724947.db2.gz FPIYGBAQWRXARE-IBGZPJMESA-N -1 3 337.398 3.817 20 0 EHADHM CC=C(C=CC(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1)CC ZINC000153260082 1139128427 /nfs/dbraw/zinc/12/84/27/1139128427.db2.gz LSZWLDMASIPJEP-QLBCHJBHSA-N -1 3 337.423 3.850 20 0 EHADHM C[C@H](c1ccco1)N(Cc1cc(=O)oc2cc([O-])ccc12)C1CC1 ZINC000182694998 1139986830 /nfs/dbraw/zinc/98/68/30/1139986830.db2.gz BBUGCNZURBTFQX-GFCCVEGCSA-N -1 3 325.364 3.817 20 0 EHADHM COc1ccc(N[C@@H](C)c2cc(C)cc(C)c2)cc1[N-]S(C)(=O)=O ZINC000182735692 1139989036 /nfs/dbraw/zinc/98/90/36/1139989036.db2.gz GBHHBHATQCUDGO-AWEZNQCLSA-N -1 3 348.468 3.857 20 0 EHADHM O=C(c1cccc(NCc2cc([O-])cc(F)c2)c1)N1CCCCC1 ZINC000185589509 1140157657 /nfs/dbraw/zinc/15/76/57/1140157657.db2.gz OEHRRACPTREQLL-UHFFFAOYSA-N -1 3 328.387 3.770 20 0 EHADHM C[C@]1(Cc2ccccc2)CCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000186058066 1140184313 /nfs/dbraw/zinc/18/43/13/1140184313.db2.gz WPKIPFRUHPIQLI-LJQANCHMSA-N -1 3 339.464 3.582 20 0 EHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc2nc(C3CC3)sc2c1 ZINC000186706813 1140217562 /nfs/dbraw/zinc/21/75/62/1140217562.db2.gz ZSSKEXSLXKLXSC-AWEZNQCLSA-N -1 3 333.413 3.753 20 0 EHADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc2nc(C3CC3)sc2c1 ZINC000186706813 1140217565 /nfs/dbraw/zinc/21/75/65/1140217565.db2.gz ZSSKEXSLXKLXSC-AWEZNQCLSA-N -1 3 333.413 3.753 20 0 EHADHM C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccccc1[O-] ZINC000187081159 1140237009 /nfs/dbraw/zinc/23/70/09/1140237009.db2.gz KPHXIWCLKRUBQP-SJCJKPOMSA-N -1 3 331.799 3.648 20 0 EHADHM O=C1CCc2cc(NCc3cc([O-])cc(F)c3)ccc2N1CC1CC1 ZINC000187523750 1140259636 /nfs/dbraw/zinc/25/96/36/1140259636.db2.gz CQZFIPRKHHOMGR-UHFFFAOYSA-N -1 3 340.398 3.833 20 0 EHADHM C[C@@H]1[C@H](Cc2ccccc2)CCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000266907300 1140736428 /nfs/dbraw/zinc/73/64/28/1140736428.db2.gz BOIHIXROGNGQDJ-HIFRSBDPSA-N -1 3 339.464 3.850 20 0 EHADHM CC(C)c1ccc(C(=O)N[C@H]2CCOC3(CCSCC3)C2)c([O-])c1 ZINC000269630325 1141130078 /nfs/dbraw/zinc/13/00/78/1141130078.db2.gz VVWPZXJOHKVRGF-HNNXBMFYSA-N -1 3 349.496 3.690 20 0 EHADHM CC(C)(C)c1ncsc1C(=O)[N-]c1nc(-c2cccnc2)ns1 ZINC000270473563 1141228425 /nfs/dbraw/zinc/22/84/25/1141228425.db2.gz SHHUZBUWUISRNN-UHFFFAOYSA-N -1 3 345.453 3.606 20 0 EHADHM Cc1cc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)ccn1 ZINC000349013026 1141622500 /nfs/dbraw/zinc/62/25/00/1141622500.db2.gz XNGAFWGIYHHLBU-UHFFFAOYSA-N -1 3 334.148 3.607 20 0 EHADHM CCN(Cc1cccc(Br)c1)C(=O)c1cccc([O-])c1 ZINC000357202571 521337528 /nfs/dbraw/zinc/33/75/28/521337528.db2.gz IKTNFPJPKMDMIC-UHFFFAOYSA-N -1 3 334.213 3.817 20 0 EHADHM CCN(Cc1ncc(C(C)C)o1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736556195 598831457 /nfs/dbraw/zinc/83/14/57/598831457.db2.gz OHLPOVANWWPHJT-CYBMUJFWSA-N -1 3 340.431 3.561 20 0 EHADHM CCN(Cc1ncc(C(C)C)o1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736556195 598831458 /nfs/dbraw/zinc/83/14/58/598831458.db2.gz OHLPOVANWWPHJT-CYBMUJFWSA-N -1 3 340.431 3.561 20 0 EHADHM Cl/C=C\CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000737566349 598902184 /nfs/dbraw/zinc/90/21/84/598902184.db2.gz ZZTXJCYABLAJQU-WTKPLQERSA-N -1 3 329.816 3.773 20 0 EHADHM Cl/C=C\CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000737566349 598902185 /nfs/dbraw/zinc/90/21/85/598902185.db2.gz ZZTXJCYABLAJQU-WTKPLQERSA-N -1 3 329.816 3.773 20 0 EHADHM Cc1cccc([C@H](C)C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737389581 598909485 /nfs/dbraw/zinc/90/94/85/598909485.db2.gz PQRBKJLMYJPVJK-KBPBESRZSA-N -1 3 336.395 3.583 20 0 EHADHM Cc1cccc([C@H](C)C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737389581 598909486 /nfs/dbraw/zinc/90/94/86/598909486.db2.gz PQRBKJLMYJPVJK-KBPBESRZSA-N -1 3 336.395 3.583 20 0 EHADHM CC(C)COc1cccc(Nc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000735844039 598938346 /nfs/dbraw/zinc/93/83/46/598938346.db2.gz FMYCHCRIYCRYFG-UHFFFAOYSA-N -1 3 344.806 3.694 20 0 EHADHM CC(C)COc1cccc(Nc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000735844039 598938347 /nfs/dbraw/zinc/93/83/47/598938347.db2.gz FMYCHCRIYCRYFG-UHFFFAOYSA-N -1 3 344.806 3.694 20 0 EHADHM Cc1ccc(C)c(CSc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737324068 598943194 /nfs/dbraw/zinc/94/31/94/598943194.db2.gz ZKVKEHMSIGYYSU-UHFFFAOYSA-N -1 3 331.832 3.824 20 0 EHADHM Cc1ccc(C)c(CSc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000737324068 598943195 /nfs/dbraw/zinc/94/31/95/598943195.db2.gz ZKVKEHMSIGYYSU-UHFFFAOYSA-N -1 3 331.832 3.824 20 0 EHADHM C[C@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1cccs1 ZINC000736136545 599037981 /nfs/dbraw/zinc/03/79/81/599037981.db2.gz GGDPMRHDNHXPSX-ZETCQYMHSA-N -1 3 340.334 3.515 20 0 EHADHM C[C@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1cccs1 ZINC000736136545 599037984 /nfs/dbraw/zinc/03/79/84/599037984.db2.gz GGDPMRHDNHXPSX-ZETCQYMHSA-N -1 3 340.334 3.515 20 0 EHADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)Cc1cccs1 ZINC000820276135 599040510 /nfs/dbraw/zinc/04/05/10/599040510.db2.gz SNTGMCCFJAELQX-SNVBAGLBSA-N -1 3 333.848 3.872 20 0 EHADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)Cc1cccs1 ZINC000820276135 599040513 /nfs/dbraw/zinc/04/05/13/599040513.db2.gz SNTGMCCFJAELQX-SNVBAGLBSA-N -1 3 333.848 3.872 20 0 EHADHM Cc1ccccc1[C@@H](C)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737422854 599041931 /nfs/dbraw/zinc/04/19/31/599041931.db2.gz PFHKLKKMNZWDFI-SNVBAGLBSA-N -1 3 348.332 3.762 20 0 EHADHM Cc1ccccc1[C@@H](C)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737422854 599041933 /nfs/dbraw/zinc/04/19/33/599041933.db2.gz PFHKLKKMNZWDFI-SNVBAGLBSA-N -1 3 348.332 3.762 20 0 EHADHM CC(C)(C)[C@@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735597091 599180517 /nfs/dbraw/zinc/18/05/17/599180517.db2.gz MEANNAZRHPRQEH-CQSZACIVSA-N -1 3 342.447 3.547 20 0 EHADHM CC(C)(C)[C@@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735597091 599180519 /nfs/dbraw/zinc/18/05/19/599180519.db2.gz MEANNAZRHPRQEH-CQSZACIVSA-N -1 3 342.447 3.547 20 0 EHADHM CCCCCC[C@H](C)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736448263 599186304 /nfs/dbraw/zinc/18/63/04/599186304.db2.gz VZFBZUFFTJFXJO-LBPRGKRZSA-N -1 3 333.411 3.575 20 0 EHADHM CCCCCC[C@H](C)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736448263 599186306 /nfs/dbraw/zinc/18/63/06/599186306.db2.gz VZFBZUFFTJFXJO-LBPRGKRZSA-N -1 3 333.411 3.575 20 0 EHADHM Cc1c(NC(=O)C=Cc2ccc(Cl)s2)cccc1-c1nnn[n-]1 ZINC000822068010 607269810 /nfs/dbraw/zinc/26/98/10/607269810.db2.gz NHYKCYVRHWPCIJ-VURMDHGXSA-N -1 3 345.815 3.542 20 0 EHADHM Cc1c(NC(=O)C=Cc2ccc(Cl)s2)cccc1-c1nn[n-]n1 ZINC000822068010 607269811 /nfs/dbraw/zinc/26/98/11/607269811.db2.gz NHYKCYVRHWPCIJ-VURMDHGXSA-N -1 3 345.815 3.542 20 0 EHADHM CC[C@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000736400926 599240701 /nfs/dbraw/zinc/24/07/01/599240701.db2.gz DYSWNFLGVFUBML-NSHDSACASA-N -1 3 348.838 3.564 20 0 EHADHM CC[C@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000736400926 599240702 /nfs/dbraw/zinc/24/07/02/599240702.db2.gz DYSWNFLGVFUBML-NSHDSACASA-N -1 3 348.838 3.564 20 0 EHADHM C[C@H]1C[C@H](C)CN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC000736228002 599252678 /nfs/dbraw/zinc/25/26/78/599252678.db2.gz MYGQENCHBMRXIU-QWRGUYRKSA-N -1 3 342.834 3.551 20 0 EHADHM C[C@H]1C[C@H](C)CN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C1 ZINC000736228002 599252681 /nfs/dbraw/zinc/25/26/81/599252681.db2.gz MYGQENCHBMRXIU-QWRGUYRKSA-N -1 3 342.834 3.551 20 0 EHADHM Cc1c(NC(=O)NC(C)(C)CC(C)(C)C)cccc1-c1nnn[n-]1 ZINC000822090248 607284196 /nfs/dbraw/zinc/28/41/96/607284196.db2.gz JHHBKFSBDKSEJA-UHFFFAOYSA-N -1 3 330.436 3.511 20 0 EHADHM Cc1c(NC(=O)NC(C)(C)CC(C)(C)C)cccc1-c1nn[n-]n1 ZINC000822090248 607284197 /nfs/dbraw/zinc/28/41/97/607284197.db2.gz JHHBKFSBDKSEJA-UHFFFAOYSA-N -1 3 330.436 3.511 20 0 EHADHM CC(C)Oc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1Cl ZINC000820174721 607308626 /nfs/dbraw/zinc/30/86/26/607308626.db2.gz WWJSQOFJWWSSRP-UHFFFAOYSA-N -1 3 349.847 3.981 20 0 EHADHM CC(C)Oc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1Cl ZINC000820174721 607308627 /nfs/dbraw/zinc/30/86/27/607308627.db2.gz WWJSQOFJWWSSRP-UHFFFAOYSA-N -1 3 349.847 3.981 20 0 EHADHM Cc1coc(-c2cc(NCc3ccc(-c4nnn[n-]4)cc3)ccc2C)n1 ZINC000822403653 607319771 /nfs/dbraw/zinc/31/97/71/607319771.db2.gz RLTSDLQXFUCDSP-UHFFFAOYSA-N -1 3 346.394 3.751 20 0 EHADHM Cc1coc(-c2cc(NCc3ccc(-c4nn[n-]n4)cc3)ccc2C)n1 ZINC000822403653 607319772 /nfs/dbraw/zinc/31/97/72/607319772.db2.gz RLTSDLQXFUCDSP-UHFFFAOYSA-N -1 3 346.394 3.751 20 0 EHADHM CC[C@H](C)[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1ccccc1 ZINC000820859284 607321677 /nfs/dbraw/zinc/32/16/77/607321677.db2.gz CSAICTQNFJKNBH-UGSOOPFHSA-N -1 3 349.438 3.944 20 0 EHADHM CC[C@H](C)[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1ccccc1 ZINC000820859284 607321678 /nfs/dbraw/zinc/32/16/78/607321678.db2.gz CSAICTQNFJKNBH-UGSOOPFHSA-N -1 3 349.438 3.944 20 0 EHADHM CC/C=C(/C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736409967 598231734 /nfs/dbraw/zinc/23/17/34/598231734.db2.gz IVMOQRIGZNRGFF-ACAGNQJTSA-N -1 3 349.394 3.954 20 0 EHADHM CC/C=C(/C)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736409967 598231736 /nfs/dbraw/zinc/23/17/36/598231736.db2.gz IVMOQRIGZNRGFF-ACAGNQJTSA-N -1 3 349.394 3.954 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1N[C@H]1CCc2cc(Cl)ccc21 ZINC000737641156 598242470 /nfs/dbraw/zinc/24/24/70/598242470.db2.gz TVHWFUAVPZJLSD-AWEZNQCLSA-N -1 3 329.766 3.759 20 0 EHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@H](c1ccccc1)C1CCC1 ZINC000738152182 598254794 /nfs/dbraw/zinc/25/47/94/598254794.db2.gz QIRQBDCRRREWLJ-QGZVFWFLSA-N -1 3 348.410 3.530 20 0 EHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@H](c1ccccc1)C1CCC1 ZINC000738152182 598254796 /nfs/dbraw/zinc/25/47/96/598254796.db2.gz QIRQBDCRRREWLJ-QGZVFWFLSA-N -1 3 348.410 3.530 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1OCc1cccc(Br)c1 ZINC000737221228 598394728 /nfs/dbraw/zinc/39/47/28/598394728.db2.gz HHFXKDZUFFAZBJ-UHFFFAOYSA-N -1 3 345.200 3.517 20 0 EHADHM c1cc(-c2nc(CNc3ccc(-c4nn[n-]n4)cc3)cs2)cs1 ZINC000738405399 598416167 /nfs/dbraw/zinc/41/61/67/598416167.db2.gz OATMWGONTDPBQN-UHFFFAOYSA-N -1 3 340.437 3.664 20 0 EHADHM CC(C)C[C@@H](C)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000735760625 598493829 /nfs/dbraw/zinc/49/38/29/598493829.db2.gz FNFBKKKZMUYIAR-LLVKDONJSA-N -1 3 347.488 3.818 20 0 EHADHM CC(C)C[C@@H](C)CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000735760625 598493831 /nfs/dbraw/zinc/49/38/31/598493831.db2.gz FNFBKKKZMUYIAR-LLVKDONJSA-N -1 3 347.488 3.818 20 0 EHADHM C[C@H]1C[C@@H](CC(=O)Nc2ccccc2-c2nnn[n-]2)CC(C)(C)C1 ZINC000736225484 598571795 /nfs/dbraw/zinc/57/17/95/598571795.db2.gz CPNLXTNGSYUPAK-STQMWFEESA-N -1 3 327.432 3.658 20 0 EHADHM C[C@H]1C[C@@H](CC(=O)Nc2ccccc2-c2nn[n-]n2)CC(C)(C)C1 ZINC000736225484 598571797 /nfs/dbraw/zinc/57/17/97/598571797.db2.gz CPNLXTNGSYUPAK-STQMWFEESA-N -1 3 327.432 3.658 20 0 EHADHM Cc1cc(-c2noc(C=Cc3ccccc3-c3nnn[n-]3)n2)ccc1F ZINC000737225467 598611261 /nfs/dbraw/zinc/61/12/61/598611261.db2.gz DUPWOPQJJXGAGY-CLFYSBASSA-N -1 3 348.341 3.535 20 0 EHADHM Cc1cc(-c2noc(C=Cc3ccccc3-c3nn[n-]n3)n2)ccc1F ZINC000737225467 598611262 /nfs/dbraw/zinc/61/12/62/598611262.db2.gz DUPWOPQJJXGAGY-CLFYSBASSA-N -1 3 348.341 3.535 20 0 EHADHM c1ccc2c(c1)cccc2-c1noc(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000738404703 598613365 /nfs/dbraw/zinc/61/33/65/598613365.db2.gz JCCLCPOGCWAGQE-UHFFFAOYSA-N -1 3 340.346 3.737 20 0 EHADHM c1ccc2c(c1)cccc2-c1noc(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000738404703 598613367 /nfs/dbraw/zinc/61/33/67/598613367.db2.gz JCCLCPOGCWAGQE-UHFFFAOYSA-N -1 3 340.346 3.737 20 0 EHADHM C[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1c(F)cccc1F ZINC000736139225 598654714 /nfs/dbraw/zinc/65/47/14/598654714.db2.gz PMEVXPIASJECTQ-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1c(F)cccc1F ZINC000736139225 598654715 /nfs/dbraw/zinc/65/47/15/598654715.db2.gz PMEVXPIASJECTQ-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM CC[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C)C(C)C ZINC000736331139 598818763 /nfs/dbraw/zinc/81/87/63/598818763.db2.gz IOFVCHKDOYJQMA-ZDUSSCGKSA-N -1 3 345.447 3.665 20 0 EHADHM CC[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C)C(C)C ZINC000736331139 598818765 /nfs/dbraw/zinc/81/87/65/598818765.db2.gz IOFVCHKDOYJQMA-ZDUSSCGKSA-N -1 3 345.447 3.665 20 0 EHADHM CCN(C(=O)CCCc1ccc(C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505373 599308866 /nfs/dbraw/zinc/30/88/66/599308866.db2.gz MNWPTNMOFLORFO-UHFFFAOYSA-N -1 3 349.438 3.551 20 0 EHADHM CCN(C(=O)CCCc1ccc(C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505373 599308869 /nfs/dbraw/zinc/30/88/69/599308869.db2.gz MNWPTNMOFLORFO-UHFFFAOYSA-N -1 3 349.438 3.551 20 0 EHADHM Cc1nn(C)c(Cl)c1CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737512572 599326829 /nfs/dbraw/zinc/32/68/29/599326829.db2.gz XPBDIRQFEGLENQ-JTQLQIEISA-N -1 3 348.863 3.556 20 0 EHADHM Cc1nn(C)c(Cl)c1CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737512572 599326833 /nfs/dbraw/zinc/32/68/33/599326833.db2.gz XPBDIRQFEGLENQ-JTQLQIEISA-N -1 3 348.863 3.556 20 0 EHADHM c1c2ccccc2oc1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000738442567 599410254 /nfs/dbraw/zinc/41/02/54/599410254.db2.gz PJANKRUIRCXORU-UHFFFAOYSA-N -1 3 342.362 3.773 20 0 EHADHM c1c2ccccc2oc1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000738442567 599410258 /nfs/dbraw/zinc/41/02/58/599410258.db2.gz PJANKRUIRCXORU-UHFFFAOYSA-N -1 3 342.362 3.773 20 0 EHADHM C[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1cc(Cl)ccc1Cl ZINC000820431333 599419869 /nfs/dbraw/zinc/41/98/69/599419869.db2.gz DQCSQLISDLQQJI-MRVPVSSYSA-N -1 3 338.198 3.617 20 0 EHADHM C[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1cc(Cl)ccc1Cl ZINC000820431333 599419871 /nfs/dbraw/zinc/41/98/71/599419871.db2.gz DQCSQLISDLQQJI-MRVPVSSYSA-N -1 3 338.198 3.617 20 0 EHADHM CCCC[C@H](COC)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736438140 599442590 /nfs/dbraw/zinc/44/25/90/599442590.db2.gz MEVUTCRNTFHTNE-LLVKDONJSA-N -1 3 343.353 3.503 20 0 EHADHM CCCC[C@H](COC)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736438140 599442592 /nfs/dbraw/zinc/44/25/92/599442592.db2.gz MEVUTCRNTFHTNE-LLVKDONJSA-N -1 3 343.353 3.503 20 0 EHADHM CC[C@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1OC ZINC000820926368 599470844 /nfs/dbraw/zinc/47/08/44/599470844.db2.gz SDSWJOWBQPUONN-AWEZNQCLSA-N -1 3 327.363 3.578 20 0 EHADHM CC[C@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1OC ZINC000820926368 599470847 /nfs/dbraw/zinc/47/08/47/599470847.db2.gz SDSWJOWBQPUONN-AWEZNQCLSA-N -1 3 327.363 3.578 20 0 EHADHM C[C@@H](CN(C)c1c(-c2nnn[n-]2)cnc2ccccc21)c1ccccc1 ZINC000820252785 599520914 /nfs/dbraw/zinc/52/09/14/599520914.db2.gz DSYJZNWZIQLFPQ-AWEZNQCLSA-N -1 3 344.422 3.655 20 0 EHADHM C[C@@H](CN(C)c1c(-c2nn[n-]n2)cnc2ccccc21)c1ccccc1 ZINC000820252785 599520916 /nfs/dbraw/zinc/52/09/16/599520916.db2.gz DSYJZNWZIQLFPQ-AWEZNQCLSA-N -1 3 344.422 3.655 20 0 EHADHM Cc1cccc(-c2ccc(CNc3ncccc3-c3nnn[n-]3)cc2)c1 ZINC000737380406 599526644 /nfs/dbraw/zinc/52/66/44/599526644.db2.gz OJMWUSKJBZEQBO-UHFFFAOYSA-N -1 3 342.406 3.849 20 0 EHADHM Cc1cccc(-c2ccc(CNc3ncccc3-c3nn[n-]n3)cc2)c1 ZINC000737380406 599526646 /nfs/dbraw/zinc/52/66/46/599526646.db2.gz OJMWUSKJBZEQBO-UHFFFAOYSA-N -1 3 342.406 3.849 20 0 EHADHM Cc1ccccc1[C@H]1C[C@H](C)N(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000737422237 599527035 /nfs/dbraw/zinc/52/70/35/599527035.db2.gz MNGUPSATEKKSAW-ZFWWWQNUSA-N -1 3 337.402 3.697 20 0 EHADHM CCc1ccc([C@@H](C)CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000524112069 599538017 /nfs/dbraw/zinc/53/80/17/599538017.db2.gz NUBPYLGHBMIMMB-ZDUSSCGKSA-N -1 3 335.411 3.561 20 0 EHADHM CCc1ccc([C@@H](C)CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000524112069 599538020 /nfs/dbraw/zinc/53/80/20/599538020.db2.gz NUBPYLGHBMIMMB-ZDUSSCGKSA-N -1 3 335.411 3.561 20 0 EHADHM CCS[C@@H]1CCCCN(c2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC000821457546 599553415 /nfs/dbraw/zinc/55/34/15/599553415.db2.gz WXEZKYXBXGPDBA-LLVKDONJSA-N -1 3 337.880 3.632 20 0 EHADHM CCS[C@@H]1CCCCN(c2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC000821457546 599553417 /nfs/dbraw/zinc/55/34/17/599553417.db2.gz WXEZKYXBXGPDBA-LLVKDONJSA-N -1 3 337.880 3.632 20 0 EHADHM C[C@@H](OC(=O)CC/C=C\c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736148767 599617661 /nfs/dbraw/zinc/61/76/61/599617661.db2.gz HYUCWDYHRFOEOM-WSVPDTOYSA-N -1 3 348.406 3.965 20 0 EHADHM C[C@@H](OC(=O)CC/C=C\c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736148767 599617662 /nfs/dbraw/zinc/61/76/62/599617662.db2.gz HYUCWDYHRFOEOM-WSVPDTOYSA-N -1 3 348.406 3.965 20 0 EHADHM O=C([O-])c1ccc(CNCc2ccc(OCc3ccncc3)cc2)cc1 ZINC000426683211 599841426 /nfs/dbraw/zinc/84/14/26/599841426.db2.gz PSCORIDARVTULB-UHFFFAOYSA-N -1 3 348.402 3.649 20 0 EHADHM O=C([O-])N1CCC[C@H](NCc2ccc(-c3ccccc3Cl)o2)C1 ZINC000739926322 599860513 /nfs/dbraw/zinc/86/05/13/599860513.db2.gz HJAHPPYPVSPERX-LBPRGKRZSA-N -1 3 334.803 3.832 20 0 EHADHM COc1ccc([C@H]2CCCN2Cc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000737987369 599996575 /nfs/dbraw/zinc/99/65/75/599996575.db2.gz RFOVYTSUODDNAZ-GOSISDBHSA-N -1 3 341.407 3.739 20 0 EHADHM CCCC[C@H](CC)CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825259259 607417287 /nfs/dbraw/zinc/41/72/87/607417287.db2.gz HVCOHOISTCNXTM-AWEZNQCLSA-N -1 3 341.459 3.579 20 0 EHADHM CCCC[C@H](CC)CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825259259 607417289 /nfs/dbraw/zinc/41/72/89/607417289.db2.gz HVCOHOISTCNXTM-AWEZNQCLSA-N -1 3 341.459 3.579 20 0 EHADHM O=C([O-])c1cc(F)ccc1CN(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000740074634 600089538 /nfs/dbraw/zinc/08/95/38/600089538.db2.gz AMAQJVZKIUUGDE-SFHVURJKSA-N -1 3 343.398 3.705 20 0 EHADHM CC[C@@](NCc1cc(Cl)ccc1OC)(C(=O)[O-])c1ccccc1 ZINC000736917089 600127897 /nfs/dbraw/zinc/12/78/97/600127897.db2.gz LKYGYUGSSPIUFC-SFHVURJKSA-N -1 3 333.815 3.828 20 0 EHADHM COc1ccc2ccccc2c1CN[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738078650 600421090 /nfs/dbraw/zinc/42/10/90/600421090.db2.gz KLCJMAAWXWBWNZ-LJQANCHMSA-N -1 3 339.366 3.903 20 0 EHADHM CCOc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1F ZINC000737203940 600433924 /nfs/dbraw/zinc/43/39/24/600433924.db2.gz QBRGYPPXXAQAKE-MRXNPFEDSA-N -1 3 337.778 3.793 20 0 EHADHM COc1ccc([C@H](C)NCc2cccc(OCC(=O)[O-])c2)cc1Cl ZINC000737951445 600639760 /nfs/dbraw/zinc/63/97/60/600639760.db2.gz VGIQARQWDZYREI-LBPRGKRZSA-N -1 3 349.814 3.663 20 0 EHADHM C[C@H]1CCN(CCOc2cccc(C(=O)[O-])c2)[C@@H](c2ccco2)C1 ZINC000580898369 600861810 /nfs/dbraw/zinc/86/18/10/600861810.db2.gz XSDIZMOYCLKPBQ-WMLDXEAASA-N -1 3 329.396 3.830 20 0 EHADHM COc1ccc(CN(Cc2cc(C(=O)[O-])sc2C)C2CC2)cc1 ZINC000832313866 601615387 /nfs/dbraw/zinc/61/53/87/601615387.db2.gz DTSRMBCCQRMITO-UHFFFAOYSA-N -1 3 331.437 3.928 20 0 EHADHM CN(Cc1ccc(C(=O)[O-])s1)Cc1ccc(OC(F)F)cc1 ZINC000582186631 601935668 /nfs/dbraw/zinc/93/56/68/601935668.db2.gz KFAQUWGGRWHBIY-UHFFFAOYSA-N -1 3 327.352 3.680 20 0 EHADHM COc1ccc(CN[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1 ZINC000832342096 601971151 /nfs/dbraw/zinc/97/11/51/601971151.db2.gz ROHXGKJMCUDROY-OAHLLOKOSA-N -1 3 340.206 3.918 20 0 EHADHM C[C@H](NC[C@@H]1CCCN(C(=O)[O-])C1)c1nc(-c2ccccc2)cs1 ZINC000739032936 603275061 /nfs/dbraw/zinc/27/50/61/603275061.db2.gz GAQVJQWJKRYJBQ-KBPBESRZSA-N -1 3 345.468 3.851 20 0 EHADHM CCCOc1c(Cl)cc(CN2CCC[C@@H]2CC(=O)[O-])cc1OC ZINC000833652390 604661098 /nfs/dbraw/zinc/66/10/98/604661098.db2.gz STDFLBXEYGKIBY-CYBMUJFWSA-N -1 3 341.835 3.577 20 0 EHADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H](Nc2ccccc2)C1 ZINC000830368907 604798913 /nfs/dbraw/zinc/79/89/13/604798913.db2.gz DZZDHZOEYUGILG-INIZCTEOSA-N -1 3 328.412 3.617 20 0 EHADHM C[C@]1(NCc2ncc(-c3ccc(F)cc3)o2)CCCC[C@@H]1C(=O)[O-] ZINC000833569517 604820833 /nfs/dbraw/zinc/82/08/33/604820833.db2.gz LZJMLSCECFAMDI-KDOFPFPSSA-N -1 3 332.375 3.604 20 0 EHADHM C[C@@H](c1cccnc1)N(C)CCOc1ccc(C(=O)[O-])cc1Cl ZINC000833549764 604913134 /nfs/dbraw/zinc/91/31/34/604913134.db2.gz NWSVELFKSCAPTI-LBPRGKRZSA-N -1 3 334.803 3.505 20 0 EHADHM COc1cccc(-c2ccc(CN[C@@H](C(=O)[O-])c3cccnc3)cc2)c1 ZINC000832510629 605004641 /nfs/dbraw/zinc/00/46/41/605004641.db2.gz ZPNNLDLFDVWABN-HXUWFJFHSA-N -1 3 348.402 3.673 20 0 EHADHM CC(C)(C)OC(=O)c1cccc(CN[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000417555519 605103298 /nfs/dbraw/zinc/10/32/98/605103298.db2.gz MFFMUMOWPNBSEI-QGZVFWFLSA-N -1 3 341.407 3.557 20 0 EHADHM COc1cccc([C@H](C)NCc2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000829543324 605119940 /nfs/dbraw/zinc/11/99/40/605119940.db2.gz IFUGVJOHKFDFNZ-KBPBESRZSA-N -1 3 328.412 3.875 20 0 EHADHM COc1cccc([C@H](C)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000829543326 605120010 /nfs/dbraw/zinc/12/00/10/605120010.db2.gz IFUGVJOHKFDFNZ-UONOGXRCSA-N -1 3 328.412 3.875 20 0 EHADHM CCN(C[C@@H]1CCCO1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000563279417 605126990 /nfs/dbraw/zinc/12/69/90/605126990.db2.gz UKVGRWWYEBBSMK-IINYFYTJSA-N -1 3 332.227 3.620 20 0 EHADHM CCc1oc(C(=O)[O-])cc1CN[C@H](c1ccccc1)C1CCOCC1 ZINC000833680033 605140392 /nfs/dbraw/zinc/14/03/92/605140392.db2.gz BMXMHFMGWMCLPC-LJQANCHMSA-N -1 3 343.423 3.798 20 0 EHADHM CC[C@](NCc1cc(Cl)cc2c1OCC2)(C(=O)[O-])c1ccccc1 ZINC000833644429 605381583 /nfs/dbraw/zinc/38/15/83/605381583.db2.gz PJWBFCMQDIEFNT-LJQANCHMSA-N -1 3 345.826 3.755 20 0 EHADHM C[C@H]1CC[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000824915742 607757541 /nfs/dbraw/zinc/75/75/41/607757541.db2.gz IAHQIPFLESBYNZ-SJCJKPOMSA-N -1 3 348.410 3.627 20 0 EHADHM C[C@H]1CC[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000824915742 607757542 /nfs/dbraw/zinc/75/75/42/607757542.db2.gz IAHQIPFLESBYNZ-SJCJKPOMSA-N -1 3 348.410 3.627 20 0 EHADHM Clc1ccc2c(c1Cl)CC[C@@H]2Nc1ccc(-c2nnn[n-]2)nc1 ZINC000822582876 606083875 /nfs/dbraw/zinc/08/38/75/606083875.db2.gz ZNBPSKJEVOYPKZ-LBPRGKRZSA-N -1 3 347.209 3.668 20 0 EHADHM Clc1ccc2c(c1Cl)CC[C@@H]2Nc1ccc(-c2nn[n-]n2)nc1 ZINC000822582876 606083881 /nfs/dbraw/zinc/08/38/81/606083881.db2.gz ZNBPSKJEVOYPKZ-LBPRGKRZSA-N -1 3 347.209 3.668 20 0 EHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)CC2CCCCCC2)s1 ZINC000821466452 606126733 /nfs/dbraw/zinc/12/67/33/606126733.db2.gz WZLNUXWAZLYHRP-UHFFFAOYSA-N -1 3 333.461 3.790 20 0 EHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)CC2CCCCCC2)s1 ZINC000821466452 606126734 /nfs/dbraw/zinc/12/67/34/606126734.db2.gz WZLNUXWAZLYHRP-UHFFFAOYSA-N -1 3 333.461 3.790 20 0 EHADHM CSc1ccc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821978822 606345333 /nfs/dbraw/zinc/34/53/33/606345333.db2.gz NALRLMMKEMTUAH-LLVKDONJSA-N -1 3 340.408 3.507 20 0 EHADHM CSc1ccc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821978822 606345335 /nfs/dbraw/zinc/34/53/35/606345335.db2.gz NALRLMMKEMTUAH-LLVKDONJSA-N -1 3 340.408 3.507 20 0 EHADHM C[C@H]1c2ccsc2CCN1c1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000820825695 606442922 /nfs/dbraw/zinc/44/29/22/606442922.db2.gz BHMDMLXRTGPTPT-NSHDSACASA-N -1 3 348.435 3.600 20 0 EHADHM C[C@H]1c2ccsc2CCN1c1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000820825695 606442924 /nfs/dbraw/zinc/44/29/24/606442924.db2.gz BHMDMLXRTGPTPT-NSHDSACASA-N -1 3 348.435 3.600 20 0 EHADHM c1ccc([C@@H](Nc2cc(-c3nnn[n-]3)c3ccccc3n2)C2CC2)cc1 ZINC000823773235 606446293 /nfs/dbraw/zinc/44/62/93/606446293.db2.gz SCQGZUGRMAGLIK-LJQANCHMSA-N -1 3 342.406 3.978 20 0 EHADHM c1ccc([C@@H](Nc2cc(-c3nn[n-]n3)c3ccccc3n2)C2CC2)cc1 ZINC000823773235 606446295 /nfs/dbraw/zinc/44/62/95/606446295.db2.gz SCQGZUGRMAGLIK-LJQANCHMSA-N -1 3 342.406 3.978 20 0 EHADHM CC[C@H](c1ccccc1)N(CC)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820937778 606491887 /nfs/dbraw/zinc/49/18/87/606491887.db2.gz CWFMPQLZDVNGJA-CQSZACIVSA-N -1 3 341.440 3.542 20 0 EHADHM CC[C@H](c1ccccc1)N(CC)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820937778 606491889 /nfs/dbraw/zinc/49/18/89/606491889.db2.gz CWFMPQLZDVNGJA-CQSZACIVSA-N -1 3 341.440 3.542 20 0 EHADHM CCCCCC(C)(C)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821042930 606602139 /nfs/dbraw/zinc/60/21/39/606602139.db2.gz JDQLQBSMWHWVEK-CYBMUJFWSA-N -1 3 329.448 3.650 20 0 EHADHM CCCCCC(C)(C)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821042930 606602141 /nfs/dbraw/zinc/60/21/41/606602141.db2.gz JDQLQBSMWHWVEK-CYBMUJFWSA-N -1 3 329.448 3.650 20 0 EHADHM CC[C@H](C)c1ccc(C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820881638 606667759 /nfs/dbraw/zinc/66/77/59/606667759.db2.gz CENBXUBBVVJRJM-AWEZNQCLSA-N -1 3 349.438 3.652 20 0 EHADHM CC[C@H](C)c1ccc(C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820881638 606667760 /nfs/dbraw/zinc/66/77/60/606667760.db2.gz CENBXUBBVVJRJM-AWEZNQCLSA-N -1 3 349.438 3.652 20 0 EHADHM Cc1nc(CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)sc1C ZINC000822444239 606695428 /nfs/dbraw/zinc/69/54/28/606695428.db2.gz IGYATMDOKPYRCX-LLVKDONJSA-N -1 3 331.470 3.934 20 0 EHADHM Cc1nc(CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)sc1C ZINC000822444239 606695429 /nfs/dbraw/zinc/69/54/29/606695429.db2.gz IGYATMDOKPYRCX-LLVKDONJSA-N -1 3 331.470 3.934 20 0 EHADHM Cc1csc(COc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000822414872 606706965 /nfs/dbraw/zinc/70/69/65/606706965.db2.gz XXFXYRMRTDZOAE-UHFFFAOYSA-N -1 3 349.419 3.878 20 0 EHADHM Cc1csc(COc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000822414872 606706967 /nfs/dbraw/zinc/70/69/67/606706967.db2.gz XXFXYRMRTDZOAE-UHFFFAOYSA-N -1 3 349.419 3.878 20 0 EHADHM Cc1c(NCc2cccc(-c3nnn[n-]3)c2)cccc1C(F)(F)F ZINC000822121290 606707874 /nfs/dbraw/zinc/70/78/74/606707874.db2.gz CQQHOAWHFNDZGV-UHFFFAOYSA-N -1 3 333.317 3.806 20 0 EHADHM Cc1c(NCc2cccc(-c3nn[n-]n3)c2)cccc1C(F)(F)F ZINC000822121290 606707875 /nfs/dbraw/zinc/70/78/75/606707875.db2.gz CQQHOAWHFNDZGV-UHFFFAOYSA-N -1 3 333.317 3.806 20 0 EHADHM CSCc1cc(F)ccc1CNc1ccc(F)cc1-c1nnn[n-]1 ZINC000821969653 606725212 /nfs/dbraw/zinc/72/52/12/606725212.db2.gz COUKPJFXUDSNLJ-UHFFFAOYSA-N -1 3 347.394 3.620 20 0 EHADHM CSCc1cc(F)ccc1CNc1ccc(F)cc1-c1nn[n-]n1 ZINC000821969653 606725213 /nfs/dbraw/zinc/72/52/13/606725213.db2.gz COUKPJFXUDSNLJ-UHFFFAOYSA-N -1 3 347.394 3.620 20 0 EHADHM CC(C)CN(CC(C)(C)C)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820087198 606804865 /nfs/dbraw/zinc/80/48/65/606804865.db2.gz NBSAVQKDNNDVNC-UHFFFAOYSA-N -1 3 348.426 3.542 20 0 EHADHM CC(C)CN(CC(C)(C)C)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820087198 606804866 /nfs/dbraw/zinc/80/48/66/606804866.db2.gz NBSAVQKDNNDVNC-UHFFFAOYSA-N -1 3 348.426 3.542 20 0 EHADHM CC(C)(C)c1ccc(CCC(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000819957766 606808956 /nfs/dbraw/zinc/80/89/56/606808956.db2.gz DESMNSCVICQZTD-UHFFFAOYSA-N -1 3 349.438 3.736 20 0 EHADHM CC(C)(C)c1ccc(CCC(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000819957766 606808958 /nfs/dbraw/zinc/80/89/58/606808958.db2.gz DESMNSCVICQZTD-UHFFFAOYSA-N -1 3 349.438 3.736 20 0 EHADHM C[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1cccc(O)c1 ZINC000820456130 606928950 /nfs/dbraw/zinc/92/89/50/606928950.db2.gz QFVBEKKSRVIUJZ-SECBINFHSA-N -1 3 349.316 3.764 20 0 EHADHM C[C@@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1cccc(O)c1 ZINC000820456130 606928952 /nfs/dbraw/zinc/92/89/52/606928952.db2.gz QFVBEKKSRVIUJZ-SECBINFHSA-N -1 3 349.316 3.764 20 0 EHADHM FC(F)(F)c1ccc(N[C@H]2CCCC(F)(F)C2)c(-c2nnn[n-]2)c1 ZINC000822736789 607131275 /nfs/dbraw/zinc/13/12/75/607131275.db2.gz KLBOBCSEXROOAE-VIFPVBQESA-N -1 3 347.291 3.875 20 0 EHADHM FC(F)(F)c1ccc(N[C@H]2CCCC(F)(F)C2)c(-c2nn[n-]n2)c1 ZINC000822736789 607131276 /nfs/dbraw/zinc/13/12/76/607131276.db2.gz KLBOBCSEXROOAE-VIFPVBQESA-N -1 3 347.291 3.875 20 0 EHADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1)C1=CCCC1 ZINC000823382656 607157741 /nfs/dbraw/zinc/15/77/41/607157741.db2.gz CAMNIQHLTOOBJK-UHFFFAOYSA-N -1 3 337.408 3.644 20 0 EHADHM O=C(Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1)C1=CCCC1 ZINC000823382656 607157742 /nfs/dbraw/zinc/15/77/42/607157742.db2.gz CAMNIQHLTOOBJK-UHFFFAOYSA-N -1 3 337.408 3.644 20 0 EHADHM CCC1(CC)CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820956918 607199927 /nfs/dbraw/zinc/19/99/27/607199927.db2.gz LBEBOKCLIHNOEX-UHFFFAOYSA-N -1 3 348.838 3.564 20 0 EHADHM CCC1(CC)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820956918 607199928 /nfs/dbraw/zinc/19/99/28/607199928.db2.gz LBEBOKCLIHNOEX-UHFFFAOYSA-N -1 3 348.838 3.564 20 0 EHADHM Cc1cccc([C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822288770 607243893 /nfs/dbraw/zinc/24/38/93/607243893.db2.gz JFMZEAVKBORONF-LLVKDONJSA-N -1 3 341.802 3.571 20 0 EHADHM Cc1cccc([C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822288770 607243894 /nfs/dbraw/zinc/24/38/94/607243894.db2.gz JFMZEAVKBORONF-LLVKDONJSA-N -1 3 341.802 3.571 20 0 EHADHM CCc1ccc(NC(=S)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821487442 607251949 /nfs/dbraw/zinc/25/19/49/607251949.db2.gz TYQYHWDNSSVWLS-UHFFFAOYSA-N -1 3 338.440 3.546 20 0 EHADHM CCc1ccc(NC(=S)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821487442 607251950 /nfs/dbraw/zinc/25/19/50/607251950.db2.gz TYQYHWDNSSVWLS-UHFFFAOYSA-N -1 3 338.440 3.546 20 0 EHADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1cccc2ccsc21 ZINC000826402013 607772692 /nfs/dbraw/zinc/77/26/92/607772692.db2.gz LFJCQONLIIGHKN-HJWRWDBZSA-N -1 3 347.403 3.733 20 0 EHADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1cccc2ccsc21 ZINC000826402013 607772693 /nfs/dbraw/zinc/77/26/93/607772693.db2.gz LFJCQONLIIGHKN-HJWRWDBZSA-N -1 3 347.403 3.733 20 0 EHADHM CCc1ccc([C@@H](C)C(=O)N(CC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825704435 607800281 /nfs/dbraw/zinc/80/02/81/607800281.db2.gz IBLWQBIJEBQBPK-CQSZACIVSA-N -1 3 349.438 3.586 20 0 EHADHM CCc1ccc([C@@H](C)C(=O)N(CC)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825704435 607800282 /nfs/dbraw/zinc/80/02/82/607800282.db2.gz IBLWQBIJEBQBPK-CQSZACIVSA-N -1 3 349.438 3.586 20 0 EHADHM c1ccc([C@H]2CCCN2c2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000826520403 607840041 /nfs/dbraw/zinc/84/00/41/607840041.db2.gz IJMSVUARCPDOKT-GOSISDBHSA-N -1 3 342.406 3.756 20 0 EHADHM c1ccc([C@H]2CCCN2c2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000826520403 607840042 /nfs/dbraw/zinc/84/00/42/607840042.db2.gz IJMSVUARCPDOKT-GOSISDBHSA-N -1 3 342.406 3.756 20 0 EHADHM CC1(C)CCC[C@@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)C1 ZINC000824801086 607920443 /nfs/dbraw/zinc/92/04/43/607920443.db2.gz AHRLBMJSFZUUPV-SNVBAGLBSA-N -1 3 345.472 3.572 20 0 EHADHM CC1(C)CCC[C@@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)C1 ZINC000824801086 607920444 /nfs/dbraw/zinc/92/04/44/607920444.db2.gz AHRLBMJSFZUUPV-SNVBAGLBSA-N -1 3 345.472 3.572 20 0 EHADHM CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000824280794 608058677 /nfs/dbraw/zinc/05/86/77/608058677.db2.gz UQIQBFVRNPISHB-AWEZNQCLSA-N -1 3 349.438 3.807 20 0 EHADHM CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000824280794 608058678 /nfs/dbraw/zinc/05/86/78/608058678.db2.gz UQIQBFVRNPISHB-AWEZNQCLSA-N -1 3 349.438 3.807 20 0 EHADHM c1ccc(CSCCCSc2cc(-c3nnn[n-]3)ccn2)cc1 ZINC000826521935 608077374 /nfs/dbraw/zinc/07/73/74/608077374.db2.gz DKHPMRDDBYABNZ-UHFFFAOYSA-N -1 3 343.481 3.677 20 0 EHADHM c1ccc(CSCCCSc2cc(-c3nn[n-]n3)ccn2)cc1 ZINC000826521935 608077375 /nfs/dbraw/zinc/07/73/75/608077375.db2.gz DKHPMRDDBYABNZ-UHFFFAOYSA-N -1 3 343.481 3.677 20 0 EHADHM CCC[C@H](C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C)C(C)C ZINC000825225128 608119718 /nfs/dbraw/zinc/11/97/18/608119718.db2.gz MFGVCIWCGCQGBZ-KRWDZBQOSA-N -1 3 343.475 3.676 20 0 EHADHM CCC[C@H](C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C)C(C)C ZINC000825225128 608119719 /nfs/dbraw/zinc/11/97/19/608119719.db2.gz MFGVCIWCGCQGBZ-KRWDZBQOSA-N -1 3 343.475 3.676 20 0 EHADHM CC(C)(C)[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000824080109 608149692 /nfs/dbraw/zinc/14/96/92/608149692.db2.gz URUVFZATKNIRIK-FZMZJTMJSA-N -1 3 335.839 3.526 20 0 EHADHM CC(C)(C)[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000824080109 608149694 /nfs/dbraw/zinc/14/96/94/608149694.db2.gz URUVFZATKNIRIK-FZMZJTMJSA-N -1 3 335.839 3.526 20 0 EHADHM Clc1ccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)s1 ZINC000826351816 608221590 /nfs/dbraw/zinc/22/15/90/608221590.db2.gz CCMKOIYQWRDPBN-UHFFFAOYSA-N -1 3 342.815 3.742 20 0 EHADHM Clc1ccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)s1 ZINC000826351816 608221592 /nfs/dbraw/zinc/22/15/92/608221592.db2.gz CCMKOIYQWRDPBN-UHFFFAOYSA-N -1 3 342.815 3.742 20 0 EHADHM C[C@H]1CCN(Cc2cccc(-c3nnn[n-]3)c2F)[C@@H](c2ccco2)C1 ZINC000824963049 608650882 /nfs/dbraw/zinc/65/08/82/608650882.db2.gz ZBMPNICYEIQUMS-SWLSCSKDSA-N -1 3 341.390 3.572 20 0 EHADHM C[C@H](N[C@@H]1CSc2ccccc21)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824553465 609143897 /nfs/dbraw/zinc/14/38/97/609143897.db2.gz BQWSVDFGBVHXPB-ZUZCIYMTSA-N -1 3 341.415 3.503 20 0 EHADHM CC(C)C[C@@H]1C[C@H](Nc2ccc(Cl)cc2-c2nnn[n-]2)CCO1 ZINC000824244370 609170853 /nfs/dbraw/zinc/17/08/53/609170853.db2.gz QZGMVHZPMXPQGF-CHWSQXEVSA-N -1 3 335.839 3.526 20 0 EHADHM CC(C)C[C@@H]1C[C@H](Nc2ccc(Cl)cc2-c2nn[n-]n2)CCO1 ZINC000824244370 609170855 /nfs/dbraw/zinc/17/08/55/609170855.db2.gz QZGMVHZPMXPQGF-CHWSQXEVSA-N -1 3 335.839 3.526 20 0 EHADHM COc1ccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c(C)c1 ZINC000826210158 609273871 /nfs/dbraw/zinc/27/38/71/609273871.db2.gz GYSBWXZHBIMMJX-SFHVURJKSA-N -1 3 335.411 3.673 20 0 EHADHM COc1ccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c(C)c1 ZINC000826210158 609273872 /nfs/dbraw/zinc/27/38/72/609273872.db2.gz GYSBWXZHBIMMJX-SFHVURJKSA-N -1 3 335.411 3.673 20 0 EHADHM COc1ccc(Cl)c(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826208418 609281776 /nfs/dbraw/zinc/28/17/76/609281776.db2.gz JJSOOODTCRIGEV-VIFPVBQESA-N -1 3 347.781 3.841 20 0 EHADHM COc1ccc(Cl)c(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826208418 609281778 /nfs/dbraw/zinc/28/17/78/609281778.db2.gz JJSOOODTCRIGEV-VIFPVBQESA-N -1 3 347.781 3.841 20 0 EHADHM Cc1cc(Cl)c(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1C ZINC000826267438 609283228 /nfs/dbraw/zinc/28/32/28/609283228.db2.gz GCXWZJKEZQXYPO-UHFFFAOYSA-N -1 3 345.765 3.528 20 0 EHADHM Cc1cc(Cl)c(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1C ZINC000826267438 609283229 /nfs/dbraw/zinc/28/32/29/609283229.db2.gz GCXWZJKEZQXYPO-UHFFFAOYSA-N -1 3 345.765 3.528 20 0 EHADHM C[C@H](Nc1ccccc1OC(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824662056 609349147 /nfs/dbraw/zinc/34/91/47/609349147.db2.gz BILVIAPESXSSGV-VIFPVBQESA-N -1 3 349.316 3.780 20 0 EHADHM C[C@H](Nc1ccccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC000824662056 609349149 /nfs/dbraw/zinc/34/91/49/609349149.db2.gz BILVIAPESXSSGV-VIFPVBQESA-N -1 3 349.316 3.780 20 0 EHADHM CCOc1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)ccc1C ZINC000825616148 609349633 /nfs/dbraw/zinc/34/96/33/609349633.db2.gz XYJJVEPATPWIJV-LBPRGKRZSA-N -1 3 341.390 3.886 20 0 EHADHM CCOc1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)ccc1C ZINC000825616148 609349635 /nfs/dbraw/zinc/34/96/35/609349635.db2.gz XYJJVEPATPWIJV-LBPRGKRZSA-N -1 3 341.390 3.886 20 0 EHADHM COc1ccc(Cl)cc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826208736 609349674 /nfs/dbraw/zinc/34/96/74/609349674.db2.gz YCNFXVPFFFEAKK-SECBINFHSA-N -1 3 347.781 3.841 20 0 EHADHM COc1ccc(Cl)cc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826208736 609349675 /nfs/dbraw/zinc/34/96/75/609349675.db2.gz YCNFXVPFFFEAKK-SECBINFHSA-N -1 3 347.781 3.841 20 0 EHADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000825632011 609476394 /nfs/dbraw/zinc/47/63/94/609476394.db2.gz JNBXCQWFBNZEQB-SMDDNHRTSA-N -1 3 339.399 3.594 20 0 EHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000825632011 609476395 /nfs/dbraw/zinc/47/63/95/609476395.db2.gz JNBXCQWFBNZEQB-SMDDNHRTSA-N -1 3 339.399 3.594 20 0 EHADHM COc1ccc2oc(CNc3cc(-c4nnn[n-]4)ccc3C)cc2c1 ZINC000826213912 609479595 /nfs/dbraw/zinc/47/95/95/609479595.db2.gz RGZMQWJEGYYGIH-UHFFFAOYSA-N -1 3 335.367 3.542 20 0 EHADHM COc1ccc2oc(CNc3cc(-c4nn[n-]n4)ccc3C)cc2c1 ZINC000826213912 609479597 /nfs/dbraw/zinc/47/95/97/609479597.db2.gz RGZMQWJEGYYGIH-UHFFFAOYSA-N -1 3 335.367 3.542 20 0 EHADHM Cc1ccsc1CNc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000826316252 609480563 /nfs/dbraw/zinc/48/05/63/609480563.db2.gz ILLFCPAIJGNARQ-UHFFFAOYSA-N -1 3 329.429 3.636 20 0 EHADHM Cc1ccsc1CNc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000826316252 609480565 /nfs/dbraw/zinc/48/05/65/609480565.db2.gz ILLFCPAIJGNARQ-UHFFFAOYSA-N -1 3 329.429 3.636 20 0 EHADHM CCN(C(=O)[C@@H](C)c1ccccc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376886 609480993 /nfs/dbraw/zinc/48/09/93/609480993.db2.gz PEBIAECJTGYTJI-GJZGRUSLSA-N -1 3 349.438 3.580 20 0 EHADHM CCN(C(=O)[C@@H](C)c1ccccc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376886 609480994 /nfs/dbraw/zinc/48/09/94/609480994.db2.gz PEBIAECJTGYTJI-GJZGRUSLSA-N -1 3 349.438 3.580 20 0 EHADHM CSc1ccc(C)c(NCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826230276 609481797 /nfs/dbraw/zinc/48/17/97/609481797.db2.gz MDWFMHDXDAPGLQ-UHFFFAOYSA-N -1 3 329.404 3.648 20 0 EHADHM CSc1ccc(C)c(NCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826230276 609481800 /nfs/dbraw/zinc/48/18/00/609481800.db2.gz MDWFMHDXDAPGLQ-UHFFFAOYSA-N -1 3 329.404 3.648 20 0 EHADHM CCOc1cccc(CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000825649088 609487739 /nfs/dbraw/zinc/48/77/39/609487739.db2.gz KVKSDXWWPUTHDU-GFCCVEGCSA-N -1 3 341.440 3.655 20 0 EHADHM CCOc1cccc(CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000825649088 609487741 /nfs/dbraw/zinc/48/77/41/609487741.db2.gz KVKSDXWWPUTHDU-GFCCVEGCSA-N -1 3 341.440 3.655 20 0 EHADHM CCC(C)=C(C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000825049595 609507837 /nfs/dbraw/zinc/50/78/37/609507837.db2.gz DIRZLJSBDTXEJG-ZHACJKMWSA-N -1 3 345.472 3.882 20 0 EHADHM CC/C(C)=C(\C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000825049595 609507839 /nfs/dbraw/zinc/50/78/39/609507839.db2.gz DIRZLJSBDTXEJG-ZHACJKMWSA-N -1 3 345.472 3.882 20 0 EHADHM Cc1nc2c(s1)[C@H](Nc1ccc(Cl)cc1-c1nnn[n-]1)CCC2 ZINC000826328499 609565839 /nfs/dbraw/zinc/56/58/39/609565839.db2.gz SUCVBDSJWHSOEX-CYBMUJFWSA-N -1 3 346.847 3.775 20 0 EHADHM Cc1nc2c(s1)[C@H](Nc1ccc(Cl)cc1-c1nn[n-]n1)CCC2 ZINC000826328499 609565842 /nfs/dbraw/zinc/56/58/42/609565842.db2.gz SUCVBDSJWHSOEX-CYBMUJFWSA-N -1 3 346.847 3.775 20 0 EHADHM C[C@H]1CCC[C@H](C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)C1 ZINC000736244765 944775613 /nfs/dbraw/zinc/77/56/13/944775613.db2.gz MZZIXQJMLVCCPT-QWRGUYRKSA-N -1 3 345.472 3.572 20 0 EHADHM C[C@H]1CCC[C@H](C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)C1 ZINC000736244765 944775621 /nfs/dbraw/zinc/77/56/21/944775621.db2.gz MZZIXQJMLVCCPT-QWRGUYRKSA-N -1 3 345.472 3.572 20 0 EHADHM CC1(C)CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000820594671 945494411 /nfs/dbraw/zinc/49/44/11/945494411.db2.gz BKCMUEXMLILNCL-UHFFFAOYSA-N -1 3 348.838 3.564 20 0 EHADHM CC1(C)CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000820594671 945494416 /nfs/dbraw/zinc/49/44/16/945494416.db2.gz BKCMUEXMLILNCL-UHFFFAOYSA-N -1 3 348.838 3.564 20 0 EHADHM C[C@H](NC(=O)C1CCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824469576 946720584 /nfs/dbraw/zinc/72/05/84/946720584.db2.gz ACRPRSKYDPKCQB-ZDUSSCGKSA-N -1 3 347.422 3.511 20 0 EHADHM C[C@H](NC(=O)C1CCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824469576 946720594 /nfs/dbraw/zinc/72/05/94/946720594.db2.gz ACRPRSKYDPKCQB-ZDUSSCGKSA-N -1 3 347.422 3.511 20 0 EHADHM CC(=O)c1cccc(-c2nnn[n-]2)c1OCc1cccc2ccccc21 ZINC001573555100 946902435 /nfs/dbraw/zinc/90/24/35/946902435.db2.gz AZFPPYINMXBQAJ-UHFFFAOYSA-N -1 3 344.374 3.802 20 0 EHADHM CC(=O)c1cccc(-c2nn[n-]n2)c1OCc1cccc2ccccc21 ZINC001573555100 946902443 /nfs/dbraw/zinc/90/24/43/946902443.db2.gz AZFPPYINMXBQAJ-UHFFFAOYSA-N -1 3 344.374 3.802 20 0 EHADHM Cc1c(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cnn1-c1ccccc1 ZINC000826242378 947720189 /nfs/dbraw/zinc/72/01/89/947720189.db2.gz MJVGNNZEHKFTPC-CYBMUJFWSA-N -1 3 345.410 3.534 20 0 EHADHM Cc1c(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cnn1-c1ccccc1 ZINC000826242378 947720199 /nfs/dbraw/zinc/72/01/99/947720199.db2.gz MJVGNNZEHKFTPC-CYBMUJFWSA-N -1 3 345.410 3.534 20 0 EHADHM Clc1cccc(SCc2cnoc2C2CC2)c1-c1nnn[n-]1 ZINC000826353669 948104123 /nfs/dbraw/zinc/10/41/23/948104123.db2.gz ZDGRVNWRRXLZGE-UHFFFAOYSA-N -1 3 333.804 3.678 20 0 EHADHM Clc1cccc(SCc2cnoc2C2CC2)c1-c1nn[n-]n1 ZINC000826353669 948104130 /nfs/dbraw/zinc/10/41/30/948104130.db2.gz ZDGRVNWRRXLZGE-UHFFFAOYSA-N -1 3 333.804 3.678 20 0 EHADHM CC(C)(C(=O)Nc1cc(-c2nnn[n-]2)ccc1F)C1CCCCC1 ZINC001129613687 948471071 /nfs/dbraw/zinc/47/10/71/948471071.db2.gz 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CC(C)CC(CC(C)C)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC001574144279 949906864 /nfs/dbraw/zinc/90/68/64/949906864.db2.gz NAVXAKAMYFIVDO-UHFFFAOYSA-N -1 3 334.395 3.620 20 0 EHADHM CC(C)CC(CC(C)C)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC001574144279 949906877 /nfs/dbraw/zinc/90/68/77/949906877.db2.gz NAVXAKAMYFIVDO-UHFFFAOYSA-N -1 3 334.395 3.620 20 0 EHADHM C[C@H](C(=O)[O-])N(Cc1ccc(Br)cc1Cl)C1CC1 ZINC000263363003 950402294 /nfs/dbraw/zinc/40/22/94/950402294.db2.gz UXXOKHFWJWHUNF-MRVPVSSYSA-N -1 3 332.625 3.540 20 0 EHADHM CCCOc1ccc(CN[C@@]2(C(=O)[O-])CCc3c2cccc3F)cc1 ZINC000584282228 1032062286 /nfs/dbraw/zinc/06/22/86/1032062286.db2.gz RVWJBXXUWSQMOY-FQEVSTJZSA-N -1 3 343.398 3.630 20 0 EHADHM O=C([O-])c1ccccc1OCCN1Cc2ccccc2C2(CCC2)C1 ZINC001117792331 957156781 /nfs/dbraw/zinc/15/67/81/957156781.db2.gz DIBUPIITPNPXQT-UHFFFAOYSA-N -1 3 337.419 3.701 20 0 EHADHM O=C([O-])[C@@H](NCc1ccc(OCc2ccccc2)nc1)c1ccccc1 ZINC001574748172 957713008 /nfs/dbraw/zinc/71/30/08/957713008.db2.gz 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C[C@H](c1ccc(Br)cc1)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000311385536 967949259 /nfs/dbraw/zinc/94/92/59/967949259.db2.gz OUENLLMFBUJWOD-JTNHKYCSSA-N -1 3 326.234 3.553 20 0 EHADHM O=C([O-])[C@@H]1C[C@H](N[C@@H](c2cncc(F)c2)C2CC2)c2ccccc21 ZINC001605982764 973016719 /nfs/dbraw/zinc/01/67/19/973016719.db2.gz DAIYUEHTFNGCAI-FGTMMUONSA-N -1 3 326.371 3.575 20 0 EHADHM CCCCCc1nnc([N-]C(=O)c2sc3nccn3c2C)s1 ZINC000339277665 1014145692 /nfs/dbraw/zinc/14/56/92/1014145692.db2.gz CWGYVHJGWJBKQO-UHFFFAOYSA-N -1 3 335.458 3.541 20 0 EHADHM O=C([O-])CC[C@H](NCc1cccc2c1OCCCO2)c1ccccc1 ZINC000417605458 973965588 /nfs/dbraw/zinc/96/55/88/973965588.db2.gz YESYMOSWKOZGKW-KRWDZBQOSA-N -1 3 341.407 3.544 20 0 EHADHM O=C([O-])c1ccc2c(c1)CN(CCCOc1cccc(Cl)c1)CC2 ZINC000516872797 974310732 /nfs/dbraw/zinc/31/07/32/974310732.db2.gz PGXINUOEXVAGAJ-UHFFFAOYSA-N -1 3 345.826 3.865 20 0 EHADHM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1coc(-c2ccc(F)cc2)n1 ZINC000530178284 974363497 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O=C([O-])c1cccc(CN2CCC(C3CCOCC3)CC2)c1Cl ZINC000582246689 974923011 /nfs/dbraw/zinc/92/30/11/974923011.db2.gz MRGHPPXBHUVYQX-UHFFFAOYSA-N -1 3 337.847 3.677 20 0 EHADHM O=C([O-])c1ccc(CN2CCC(Cc3ccc(F)c(F)c3)CC2)nc1 ZINC000583031073 974935211 /nfs/dbraw/zinc/93/52/11/974935211.db2.gz XEMXTCVYLHCUJM-UHFFFAOYSA-N -1 3 346.377 3.513 20 0 EHADHM O=C([O-])c1cccc(OCCN2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000583267672 974938753 /nfs/dbraw/zinc/93/87/53/974938753.db2.gz DMXLEHIGJQRLED-GOSISDBHSA-N -1 3 329.371 3.740 20 0 EHADHM COc1cccc([C@H](C)N2CCC(c3ncc(C(=O)[O-])s3)CC2)c1 ZINC000629369265 975086553 /nfs/dbraw/zinc/08/65/53/975086553.db2.gz UHPCFRPAIURXIZ-LBPRGKRZSA-N -1 3 346.452 3.791 20 0 EHADHM O=C([O-])[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[C@]2(C1)CCCOC2 ZINC000659797821 975888717 /nfs/dbraw/zinc/88/87/17/975888717.db2.gz TYMBBLVWFZNERV-ZBFHGGJFSA-N -1 3 344.238 3.622 20 0 EHADHM O=C([O-])[C@H](N[C@H]1CCc2c1ccc(Cl)c2Cl)c1cccnc1 ZINC000833167749 979103058 /nfs/dbraw/zinc/10/30/58/979103058.db2.gz PYEXXMIKISQTGJ-DZGCQCFKSA-N -1 3 337.206 3.791 20 0 EHADHM C[C@@H]1C[C@@]1(NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(Cl)cc1 ZINC000459436487 1032095794 /nfs/dbraw/zinc/09/57/94/1032095794.db2.gz QNNBIUGEXANZCH-ZMZPIMSZSA-N -1 3 329.831 3.738 20 0 EHADHM CC[C@H]1CCC[C@@H](CN2CCc3c(C(=O)[O-])ccc(OC)c3C2)C1 ZINC000871620851 979958926 /nfs/dbraw/zinc/95/89/26/979958926.db2.gz MVJVTWIVDJGVBG-LSDHHAIUSA-N -1 3 331.456 3.968 20 0 EHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000901521486 980338462 /nfs/dbraw/zinc/33/84/62/980338462.db2.gz BMCGZNZCDIPSMX-NSHDSACASA-N -1 3 345.270 3.898 20 0 EHADHM O=C([O-])/C=C/c1ccc(CN2CCC(c3ccc(F)cc3)CC2)o1 ZINC000901545034 980373224 /nfs/dbraw/zinc/37/32/24/980373224.db2.gz XUKPCAWMBVLPAX-BQYQJAHWSA-N -1 3 329.371 3.896 20 0 EHADHM CC[C@H](NCc1cnn(-c2ccccc2)c1)c1ccc(C(=O)[O-])cc1 ZINC001595304813 980440384 /nfs/dbraw/zinc/44/03/84/980440384.db2.gz IKWDMMRFDREZPO-IBGZPJMESA-N -1 3 335.407 3.811 20 0 EHADHM O=C([O-])[C@@H](CC1CCCCC1)NCc1csc(-c2ccccn2)n1 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20 0 EHADHM CC[C@@H](c1ccccc1OC)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001595364012 980789227 /nfs/dbraw/zinc/78/92/27/980789227.db2.gz MPYXBUGZKDJUJU-SFHVURJKSA-N -1 3 343.423 3.742 20 0 EHADHM CC[C@@H](c1ccccc1OC)N(C)CCOc1cccc(C(=O)[O-])c1 ZINC001595364180 980791051 /nfs/dbraw/zinc/79/10/51/980791051.db2.gz PANACABLDXXBNZ-SFHVURJKSA-N -1 3 343.423 3.855 20 0 EHADHM Cc1ccc(SC[C@@H](C)NCc2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC000902330727 980835846 /nfs/dbraw/zinc/83/58/46/980835846.db2.gz AHAGPXQDGKBKKX-DNGMOHDESA-N -1 3 331.437 3.956 20 0 EHADHM Cc1oc(C(=O)[O-])cc1CN[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000902351692 980845591 /nfs/dbraw/zinc/84/55/91/980845591.db2.gz QRCYGGLMTXDGKF-YOEHRIQHSA-N -1 3 329.396 3.544 20 0 EHADHM CSCc1cc(F)ccc1CNCc1cc(C(=O)[O-])cs1 ZINC000902387406 980865719 /nfs/dbraw/zinc/86/57/19/980865719.db2.gz PCLFBCIDRMLAMI-UHFFFAOYSA-N -1 3 325.430 3.738 20 0 EHADHM CC[C@@H](NCc1ccnc2c(C(=O)[O-])cccc12)c1c(C)noc1C ZINC000902423933 980880004 /nfs/dbraw/zinc/88/00/04/980880004.db2.gz HRDGDDFLBBXOPP-MRXNPFEDSA-N -1 3 339.395 3.779 20 0 EHADHM C[C@@H](Oc1ccc(CN[C@@H]2CCCc3ccc(F)cc32)cc1)C(=O)[O-] ZINC000902443481 980890090 /nfs/dbraw/zinc/89/00/90/980890090.db2.gz HDZQEMUVNMPYOD-BFUOFWGJSA-N -1 3 343.398 3.845 20 0 EHADHM COc1cc2c(cc1OC)[C@H](NCc1ccoc1C(=O)[O-])CCCC2 ZINC000902456010 980895747 /nfs/dbraw/zinc/89/57/47/980895747.db2.gz GUEDBAMDRZVXRC-OAHLLOKOSA-N -1 3 345.395 3.552 20 0 EHADHM CC1(C)CN(Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)[C@@H]2COC[C@@H]21 ZINC000902532420 980924368 /nfs/dbraw/zinc/92/43/68/980924368.db2.gz PVCFWUVZNUAWHY-DLBZAZTESA-N -1 3 341.407 3.502 20 0 EHADHM C[C@@H]1CN(Cc2ncc(-c3ccc(Cl)cc3)o2)C[C@H]1CC(=O)[O-] ZINC000903630968 981006851 /nfs/dbraw/zinc/00/68/51/981006851.db2.gz HRNUSDOQONYGBG-DGCLKSJQSA-N -1 3 334.803 3.538 20 0 EHADHM Cc1cc([C@@H](C)N2CCC[C@H](Cc3nccs3)C2)oc1C(=O)[O-] ZINC000903632324 981009728 /nfs/dbraw/zinc/00/97/28/981009728.db2.gz WTKLJLMTJCLTDR-CHWSQXEVSA-N -1 3 334.441 3.758 20 0 EHADHM O=C([O-])c1ccc(CN2CC[C@H](Oc3ccc(Cl)cc3)C2)s1 ZINC000903689882 981014745 /nfs/dbraw/zinc/01/47/45/981014745.db2.gz OKKZHEPCBHUGEH-ZDUSSCGKSA-N -1 3 337.828 3.753 20 0 EHADHM CC[C@H](NCc1ccc(C(=O)[O-])s1)c1cccc(OC)c1OC ZINC000903692881 981015022 /nfs/dbraw/zinc/01/50/22/981015022.db2.gz QWQGHNRNODCIRI-ZDUSSCGKSA-N -1 3 335.425 3.704 20 0 EHADHM CC1(C)[C@H](c2ccc(F)c(F)c2)CCN1Cc1cncc(C(=O)[O-])c1 ZINC000903913751 981035825 /nfs/dbraw/zinc/03/58/25/981035825.db2.gz UIJRKGMFQYLMCK-HNNXBMFYSA-N -1 3 346.377 3.826 20 0 EHADHM O=C([O-])c1ccc2c(c1)OCCN(CCCc1ccc(Cl)cc1)C2 ZINC000903956587 981072671 /nfs/dbraw/zinc/07/26/71/981072671.db2.gz BPOVFGUPHILPHT-UHFFFAOYSA-N -1 3 345.826 3.865 20 0 EHADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(SC)cc2)cc1 ZINC000683171203 1014726248 /nfs/dbraw/zinc/72/62/48/1014726248.db2.gz GQHYUNKYVLLUJZ-KRWDZBQOSA-N -1 3 331.437 3.723 20 0 EHADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(SC)cc2)cc1 ZINC000683171204 1014727458 /nfs/dbraw/zinc/72/74/58/1014727458.db2.gz 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SFOLSFMRRTVVAZ-UHFFFAOYSA-N -1 3 339.222 3.761 20 0 EHADHM CC(C)Cc1ccc(CN(CCC(=O)[O-])Cc2ccccc2)cn1 ZINC001591483918 992606763 /nfs/dbraw/zinc/60/67/63/992606763.db2.gz QNQJTOQBOFELRD-UHFFFAOYSA-N -1 3 326.440 3.757 20 0 EHADHM COc1ccc(F)cc1CN[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC001599584891 993599960 /nfs/dbraw/zinc/59/99/60/993599960.db2.gz XAIIMMVXWJXTMA-IBGZPJMESA-N -1 3 339.366 3.903 20 0 EHADHM C[C@@H](N[C@H](C)c1ccc(F)c(F)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001593198156 994167937 /nfs/dbraw/zinc/16/79/37/994167937.db2.gz NNCVPSNPLSATNA-VXGBXAGGSA-N -1 3 335.350 3.840 20 0 EHADHM CN1Cc2ccccc2[C@@H](N[C@@H]2CCCc3ccc(C(=O)[O-])cc32)C1 ZINC001598632325 994190580 /nfs/dbraw/zinc/19/05/80/994190580.db2.gz UXQSGGMTADIOIU-UXHICEINSA-N -1 3 336.435 3.539 20 0 EHADHM C[C@@H](N[C@@H](CN1CCCCC1)c1ccccc1)c1cc(C(=O)[O-])co1 ZINC001593209873 994241647 /nfs/dbraw/zinc/24/16/47/994241647.db2.gz NLDDEXKLHOTIGG-QAPCUYQASA-N -1 3 342.439 3.856 20 0 EHADHM C[C@H](NC[C@H]1CCCC[C@@H]1C(=O)[O-])c1nc(C(F)(F)F)cs1 ZINC001593253200 994513036 /nfs/dbraw/zinc/51/30/36/994513036.db2.gz ZKPZAYSPMATSQE-AEJSXWLSSA-N -1 3 336.379 3.704 20 0 EHADHM COc1cccc([C@@](C)(CC(=O)[O-])NCc2cc(C)nc(Cl)c2)c1 ZINC001599654863 994562175 /nfs/dbraw/zinc/56/21/75/994562175.db2.gz AJZIBRIKFLWOJS-GOSISDBHSA-N -1 3 348.830 3.532 20 0 EHADHM COc1cccc([C@](C)(CC(=O)[O-])NCc2ccc(Cl)s2)c1 ZINC001599655973 994580189 /nfs/dbraw/zinc/58/01/89/994580189.db2.gz QXOQVTLLPZURFK-INIZCTEOSA-N -1 3 339.844 3.890 20 0 EHADHM C[C@H](NCCOc1ccc(/C=C/C(=O)[O-])cc1)c1cccc(F)c1F ZINC001593272957 994616226 /nfs/dbraw/zinc/61/62/26/994616226.db2.gz VFPOIFVDTMQPLS-RSPDNQDQSA-N -1 3 347.361 3.792 20 0 EHADHM COc1cccc([C@@H](N[C@@H](C)c2ccccc2SC)C(=O)[O-])c1 ZINC001599660735 994651403 /nfs/dbraw/zinc/65/14/03/994651403.db2.gz WHMOIUALOSKFPU-YVEFUNNKSA-N -1 3 331.437 3.894 20 0 EHADHM O=C(NCc1ncccc1[O-])Nc1ncc(C2CCCCC2)s1 ZINC000547760345 1015892327 /nfs/dbraw/zinc/89/23/27/1015892327.db2.gz 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336.233 3.605 20 0 EHADHM CCOc1cc(-c2nc([C@H](N)CC(C)C)no2)cc(Cl)c1[O-] ZINC000414623245 1017074224 /nfs/dbraw/zinc/07/42/24/1017074224.db2.gz UAZKOSBDZCVEJU-LLVKDONJSA-N -1 3 325.796 3.540 20 0 EHADHM CCc1cccc(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)c1[O-] ZINC000081779193 1032364949 /nfs/dbraw/zinc/36/49/49/1032364949.db2.gz SWGGNYJYUAIBMY-QGZVFWFLSA-N -1 3 345.826 3.822 20 0 EHADHM CCc1cccc(C(=O)N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c1[O-] ZINC000081789189 1032365338 /nfs/dbraw/zinc/36/53/38/1032365338.db2.gz QVQBCYGVTVAFGH-ACJLOTCBSA-N -1 3 343.398 3.696 20 0 EHADHM COc1ccc(CN2CCCC[C@@H]2CCC(=O)[O-])c(Cl)c1OC ZINC000321255855 1032435523 /nfs/dbraw/zinc/43/55/23/1032435523.db2.gz XFSKLKYBCWACHI-CYBMUJFWSA-N -1 3 341.835 3.577 20 0 EHADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC=C(c2ccccc2)C1 ZINC000376762521 1017084148 /nfs/dbraw/zinc/08/41/48/1017084148.db2.gz CZJIPOCMJILTKH-UHFFFAOYSA-N -1 3 326.371 3.530 20 0 EHADHM Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2C(F)(F)F)ccc1N ZINC001210131405 1017192147 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COc1ccc(NC(=O)c2ccc3c(c2[O-])CCCC3)c(OC)c1 ZINC000436947657 1021408011 /nfs/dbraw/zinc/40/80/11/1021408011.db2.gz RMLVXJTXWLDLDA-UHFFFAOYSA-N -1 3 327.380 3.541 20 0 EHADHM CCN1C(=O)CCc2cc(NC(=O)c3ccc(C)c(C)c3[O-])ccc21 ZINC000436963403 1021410570 /nfs/dbraw/zinc/41/05/70/1021410570.db2.gz ZITDCEYICKAMOF-UHFFFAOYSA-N -1 3 338.407 3.560 20 0 EHADHM C[C@@H]1CCCN1C(=O)c1ccc(-c2noc(-c3ccccc3[O-])n2)cc1 ZINC000436950957 1021417386 /nfs/dbraw/zinc/41/73/86/1021417386.db2.gz OPZMEDYJTYCLQS-CYBMUJFWSA-N -1 3 349.390 3.734 20 0 EHADHM O=C(Nc1ccccc1-c1cn[nH]c1)c1ccc2c(c1[O-])CCCC2 ZINC000439740640 1021682889 /nfs/dbraw/zinc/68/28/89/1021682889.db2.gz BKUOLUMDIPTTCD-UHFFFAOYSA-N -1 3 333.391 3.913 20 0 EHADHM Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2ccc(C)cc2[O-])cc1 ZINC000440670169 1021699628 /nfs/dbraw/zinc/69/96/28/1021699628.db2.gz NDSUXZYNZSQCFD-YLJYHZDGSA-N -1 3 339.435 3.907 20 0 EHADHM CSC[C@H]1CCCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000516903488 1021823052 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CC[C@@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)[C@H]1CC1(C)C ZINC001142506900 1033053163 /nfs/dbraw/zinc/05/31/63/1033053163.db2.gz ZFYLSADAMSUGFC-TZMCWYRMSA-N -1 3 332.831 3.736 20 0 EHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3CCCCCC3)c2)n1 ZINC000101815562 1022740196 /nfs/dbraw/zinc/74/01/96/1022740196.db2.gz HYIOJVMQQDOIMH-UHFFFAOYSA-N -1 3 339.439 3.908 20 0 EHADHM Nc1ccc2c(c1)CCC[C@H]2NCc1cccc([O-])c1Br ZINC000414935066 1022789088 /nfs/dbraw/zinc/78/90/88/1022789088.db2.gz UFRGXCMCHNWDMK-OAHLLOKOSA-N -1 3 347.256 3.904 20 0 EHADHM Cc1ccc([O-])c(CN2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)n1 ZINC000438550876 1022793855 /nfs/dbraw/zinc/79/38/55/1022793855.db2.gz CDUPTNGARSUEII-SCLBCKFNSA-N -1 3 332.831 3.711 20 0 EHADHM O=C(/C=C\c1nc2ccccc2s1)[N-]OCc1ccc(F)cc1 ZINC000588449759 1022945888 /nfs/dbraw/zinc/94/58/88/1022945888.db2.gz UFINGODGXFCJPB-KTKRTIGZSA-N -1 3 328.368 3.697 20 0 EHADHM O=C(c1cc([O-])cc(Br)c1)N(CC(F)F)CC1CCC1 ZINC000528924208 1033089208 /nfs/dbraw/zinc/08/92/08/1033089208.db2.gz 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CC(C)C[C@H](C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1ccccc1 ZINC000427062167 1023192211 /nfs/dbraw/zinc/19/22/11/1023192211.db2.gz PLQOVLRZPXOXOG-SFHVURJKSA-N -1 3 349.438 3.559 20 0 EHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1C ZINC000431167326 1023374853 /nfs/dbraw/zinc/37/48/53/1023374853.db2.gz CFBSEMBYNAZJFX-UHFFFAOYSA-N -1 3 345.342 3.530 20 0 EHADHM CC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1C)C(F)(F)F ZINC000548474217 1023423037 /nfs/dbraw/zinc/42/30/37/1023423037.db2.gz GDCIDTQEQYTEGJ-LLVKDONJSA-N -1 3 329.771 3.658 20 0 EHADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1 ZINC000431185496 1023429740 /nfs/dbraw/zinc/42/97/40/1023429740.db2.gz ZZQGULRMKZKTAG-UHFFFAOYSA-N -1 3 345.342 3.692 20 0 EHADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCC(C)(C)F)s2)cs1 ZINC000657141774 1023647900 /nfs/dbraw/zinc/64/79/00/1023647900.db2.gz PKDZBXKDNZYYLS-UHFFFAOYSA-N -1 3 348.490 3.597 20 0 EHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)[C@H]1Cc2ccc(F)cc21 ZINC000684604599 1023691326 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EHADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1c(F)cc(F)cc1F ZINC000511006825 1024406148 /nfs/dbraw/zinc/40/61/48/1024406148.db2.gz GQDQLLONDGPBQZ-UHFFFAOYSA-N -1 3 341.304 3.588 20 0 EHADHM O=C(NCc1ncccc1[O-])N[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000472044256 1024461882 /nfs/dbraw/zinc/46/18/82/1024461882.db2.gz YHLAGQABLMVYBT-GOSISDBHSA-N -1 3 343.402 3.657 20 0 EHADHM CCCCCc1nnc(NC(=O)c2cc([O-])ccc2Cl)s1 ZINC000277291368 1024480828 /nfs/dbraw/zinc/48/08/28/1024480828.db2.gz CXFGCCLDFTVHSE-UHFFFAOYSA-N -1 3 325.821 3.882 20 0 EHADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3ncccc3c2)c(C)c1 ZINC000536460229 1024485731 /nfs/dbraw/zinc/48/57/31/1024485731.db2.gz SARHVQOEIZBGKZ-UHFFFAOYSA-N -1 3 326.421 3.961 20 0 EHADHM [O-]c1cccc(Br)c1NC(=S)NC1CCCCC1 ZINC001200651540 1024530419 /nfs/dbraw/zinc/53/04/19/1024530419.db2.gz ZYBVQTJVZWNLMX-UHFFFAOYSA-N -1 3 329.263 3.774 20 0 EHADHM COC(=O)c1ccc(C(=O)Nc2ncc(C3CCCCC3)s2)[n-]1 ZINC000346226836 1024541131 /nfs/dbraw/zinc/54/11/31/1024541131.db2.gz BHNGEWKKORTZGI-UHFFFAOYSA-N -1 3 333.413 3.558 20 0 EHADHM O=c1[n-]c(SCC2=CCCC2)nc2c1cnn2Cc1ccccc1 ZINC000657284544 1024562492 /nfs/dbraw/zinc/56/24/92/1024562492.db2.gz PGNOOSNXIMTSNJ-UHFFFAOYSA-N -1 3 338.436 3.783 20 0 EHADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc(C(F)F)c(F)c2)n1 ZINC000895541865 1024599839 /nfs/dbraw/zinc/59/98/39/1024599839.db2.gz ATCQTLNHOOFYPJ-UHFFFAOYSA-N -1 3 325.334 3.592 20 0 EHADHM Cc1ccccc1S(=O)(=O)[N-]c1cc(Br)ccc1F ZINC000096474857 1024741448 /nfs/dbraw/zinc/74/14/48/1024741448.db2.gz KRCBZNXZBYHDLG-UHFFFAOYSA-N -1 3 344.205 3.697 20 0 EHADHM Cc1cccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000520786348 1024794904 /nfs/dbraw/zinc/79/49/04/1024794904.db2.gz GASZVKXAJISZSY-UHFFFAOYSA-N -1 3 344.263 3.823 20 0 EHADHM CC1(C)COc2cc(NCc3ccc([O-])c(F)c3)ccc2NC1=O ZINC000895784680 1024829959 /nfs/dbraw/zinc/82/99/59/1024829959.db2.gz LCKLCWDGESXJSZ-UHFFFAOYSA-N -1 3 330.359 3.501 20 0 EHADHM Cc1cc(C)c(C)c(OCCC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000427944428 1024896988 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O=S(=O)([N-][C@H]1CSc2ccccc21)c1cccc(Cl)c1F ZINC000522758382 1025201704 /nfs/dbraw/zinc/20/17/04/1025201704.db2.gz VMRQMESJMGKBMN-NSHDSACASA-N -1 3 343.832 3.604 20 0 EHADHM Cc1nc(-c2ccc(C(=O)NCc3ccc([O-])c(F)c3)cc2)cs1 ZINC000442660382 1025403969 /nfs/dbraw/zinc/40/39/69/1025403969.db2.gz ZERVZJJVOXOUBU-UHFFFAOYSA-N -1 3 342.395 3.893 20 0 EHADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc3ncccc3c2)cc1C ZINC000342432160 1025422879 /nfs/dbraw/zinc/42/28/79/1025422879.db2.gz RTOIBIGDDPKOLA-UHFFFAOYSA-N -1 3 342.420 3.661 20 0 EHADHM CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NCc1ncccc1[O-] ZINC000472195391 1025589982 /nfs/dbraw/zinc/58/99/82/1025589982.db2.gz VSVIVFQBXKYPBF-HNAYVOBHSA-N -1 3 339.439 3.546 20 0 EHADHM O=C(NCc1ncccc1[O-])Nc1ccc(-c2ccco2)cc1F ZINC000347220973 1025665247 /nfs/dbraw/zinc/66/52/47/1025665247.db2.gz CIYVLLYKFXGAGM-UHFFFAOYSA-N -1 3 327.315 3.508 20 0 EHADHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)cc1 ZINC000521897201 1025767978 /nfs/dbraw/zinc/76/79/78/1025767978.db2.gz TUIBPUYLJCFNCB-UHFFFAOYSA-N -1 3 341.436 3.797 20 0 EHADHM Cc1ccc(C(=O)N2CC[C@@](F)(c3cc(C)cc(F)c3)C2)c([O-])c1 ZINC000436515039 1025813494 /nfs/dbraw/zinc/81/34/94/1025813494.db2.gz QQZLDBUTYBFYJK-IBGZPJMESA-N -1 3 331.362 3.859 20 0 EHADHM CC1(C)Cc2ccc(C(=O)N3CC4(CC4)c4ccccc43)c([O-])c2O1 ZINC000436525416 1025828524 /nfs/dbraw/zinc/82/85/24/1025828524.db2.gz ADQUTEGRSWCUQP-UHFFFAOYSA-N -1 3 335.403 3.798 20 0 EHADHM Cc1nn(C)c(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])c1C ZINC000436555268 1025861593 /nfs/dbraw/zinc/86/15/93/1025861593.db2.gz LFIVXLRDKHDGJP-UHFFFAOYSA-N -1 3 349.434 3.780 20 0 EHADHM Cc1noc(C)c1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436538459 1025868335 /nfs/dbraw/zinc/86/83/35/1025868335.db2.gz ILEUHZOUEBMPLJ-UHFFFAOYSA-N -1 3 338.363 3.828 20 0 EHADHM Cc1ccc([C@@H]2CSCCN2C(=O)c2ccc(C)cc2[O-])cc1 ZINC000436542060 1025875362 /nfs/dbraw/zinc/87/53/62/1025875362.db2.gz CIIWZSLSDVCDBH-KRWDZBQOSA-N -1 3 327.449 3.939 20 0 EHADHM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(OC)cc2[O-])C12CCCCC2 ZINC000436592699 1025907971 /nfs/dbraw/zinc/90/79/71/1025907971.db2.gz XXAVWCNCVGITHC-MSOLQXFVSA-N -1 3 347.455 3.601 20 0 EHADHM CCc1ccc([O-])c(C(=O)N(CC(=O)OC(C)(C)C)[C@H](C)CC)c1 ZINC000436601643 1025932991 /nfs/dbraw/zinc/93/29/91/1025932991.db2.gz CLWZLTLUPBNXFR-CYBMUJFWSA-N -1 3 335.444 3.537 20 0 EHADHM Cc1c(NC(=O)c2ccc(C)cc2[O-])cnn1-c1ccccc1F ZINC000436602064 1025933856 /nfs/dbraw/zinc/93/38/56/1025933856.db2.gz JPZMPPWUGRRVLY-UHFFFAOYSA-N -1 3 325.343 3.586 20 0 EHADHM CN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])[C@H]1CCSC1 ZINC000436604769 1025937011 /nfs/dbraw/zinc/93/70/11/1025937011.db2.gz KBONWCXAJARHCY-KRWDZBQOSA-N -1 3 341.476 3.755 20 0 EHADHM Cc1ccc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c([O-])c1 ZINC000436609752 1025943489 /nfs/dbraw/zinc/94/34/89/1025943489.db2.gz SGZLRUROTXJZRT-NVXWUHKLSA-N -1 3 331.799 3.614 20 0 EHADHM C[C@H]1CCCN(c2cc(C(=O)Nc3ccc(Cl)cc3[O-])ccn2)C1 ZINC000436629956 1025956388 /nfs/dbraw/zinc/95/63/88/1025956388.db2.gz YJONFIMAYPBGRC-LBPRGKRZSA-N -1 3 345.830 3.929 20 0 EHADHM O=C(c1ccc(O)cc1[O-])N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000436635155 1025963700 /nfs/dbraw/zinc/96/37/00/1025963700.db2.gz MSEIXZACCZCCAV-MRXNPFEDSA-N -1 3 333.334 3.743 20 0 EHADHM CCCCOc1ccc(C(=O)NCC2(C(F)(F)F)CC2)c([O-])c1 ZINC000436665180 1026002246 /nfs/dbraw/zinc/00/22/46/1026002246.db2.gz LZHCRIBQCDPZND-UHFFFAOYSA-N -1 3 331.334 3.643 20 0 EHADHM CC(=O)c1ccc(C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)cc1[O-] ZINC000436663158 1026003981 /nfs/dbraw/zinc/00/39/81/1026003981.db2.gz FQIJREBVFHILRP-UHFFFAOYSA-N -1 3 349.390 3.611 20 0 EHADHM CCc1ccccc1-c1noc(-c2cc(OC)c([O-])c(OC)c2)n1 ZINC000436692291 1026037474 /nfs/dbraw/zinc/03/74/74/1026037474.db2.gz XKXSODUVJBPNFB-UHFFFAOYSA-N -1 3 326.352 3.689 20 0 EHADHM COc1cnc2ccccc2c1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000436706657 1026070128 /nfs/dbraw/zinc/07/01/28/1026070128.db2.gz VSKGLAZPTRHACE-UHFFFAOYSA-N -1 3 328.755 3.855 20 0 EHADHM O=C(Nc1nnc(-c2ccco2)s1)c1cc2c(cc1[O-])CCCC2 ZINC000436715108 1026081419 /nfs/dbraw/zinc/08/14/19/1026081419.db2.gz OGEZBGINEDIABX-UHFFFAOYSA-N -1 3 341.392 3.635 20 0 EHADHM Cc1ccc(C(=O)Nc2csc(-c3ccncc3)n2)c([O-])c1C ZINC000436728132 1026117325 /nfs/dbraw/zinc/11/73/25/1026117325.db2.gz IETVRQJZNINXHM-UHFFFAOYSA-N -1 3 325.393 3.780 20 0 EHADHM CN(C)[C@@H](CNC(=O)c1ccc2ccccc2c1[O-])c1cccs1 ZINC000436758398 1026127301 /nfs/dbraw/zinc/12/73/01/1026127301.db2.gz XWZQVWHDYACCFZ-INIZCTEOSA-N -1 3 340.448 3.640 20 0 EHADHM COc1cc(F)ccc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436762116 1026129590 /nfs/dbraw/zinc/12/95/90/1026129590.db2.gz QOZWIHANXFVRMI-UHFFFAOYSA-N -1 3 331.343 3.506 20 0 EHADHM NC(=O)c1cccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])c1 ZINC000436754658 1026145059 /nfs/dbraw/zinc/14/50/59/1026145059.db2.gz JLTPVRXASCHVRP-UHFFFAOYSA-N -1 3 348.358 3.536 20 0 EHADHM CC(C)(C)C(C)(C)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000458551698 1026184402 /nfs/dbraw/zinc/18/44/02/1026184402.db2.gz LZRONCRBRJXXBR-UHFFFAOYSA-N -1 3 343.265 3.779 20 0 EHADHM 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20 0 EHADHM C[C@@H]1CN(Cc2c(Cl)cc(Cl)cc2N(C)C)C[C@@]1(C)C(=O)[O-] ZINC000864360864 1137223700 /nfs/dbraw/zinc/22/37/00/1137223700.db2.gz PUJLJVZWPKRKCM-QLJPJBMISA-N -1 3 345.270 3.602 20 0 EHADHM Cc1ccnc(CN[C@@H](CC(=O)[O-])CC(C)(C)C)c1Br ZINC000864510440 1137231027 /nfs/dbraw/zinc/23/10/27/1137231027.db2.gz AIVMNOYSNRFKBZ-NSHDSACASA-N -1 3 343.265 3.522 20 0 EHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)/C=C/C1CCCCCC1 ZINC000845144385 1137276582 /nfs/dbraw/zinc/27/65/82/1137276582.db2.gz DHESGAMWZHHNAS-OUKQBFOZSA-N -1 3 336.457 3.523 20 0 EHADHM C[C@H](OC(=O)c1ccc(N)c(Cl)c1[O-])c1ncc(C(C)(C)C)o1 ZINC000845190966 1137278851 /nfs/dbraw/zinc/27/88/51/1137278851.db2.gz DJCLKRLOOBDJGH-QMMMGPOBSA-N -1 3 338.791 3.831 20 0 EHADHM CC[C@@H](C)CO[N-]C(=O)CCc1ccc(Br)cc1F ZINC000794843961 1137290254 /nfs/dbraw/zinc/29/02/54/1137290254.db2.gz TYBGYZDDBRSRQS-SNVBAGLBSA-N -1 3 332.213 3.615 20 0 EHADHM Cc1ccc2[nH]cc(CN(C)C(=O)Cc3ccc([O-])c(F)c3)c2c1 ZINC001144629095 1137320491 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ALKJCNMWZPTJMH-UHFFFAOYSA-N -1 3 346.184 3.592 20 0 EHADHM CC(=O)c1cc(C(=O)Nc2ccc(C)c(OC(F)F)c2)ccc1[O-] ZINC001148664930 1137431258 /nfs/dbraw/zinc/43/12/58/1137431258.db2.gz USZOSKHACNLLCT-UHFFFAOYSA-N -1 3 335.306 3.757 20 0 EHADHM CC(=O)c1cc(C(=O)Nc2ccc(C3CCOCC3)cc2)ccc1[O-] ZINC001148663982 1137431371 /nfs/dbraw/zinc/43/13/71/1137431371.db2.gz GHHVPXGMDODWPR-UHFFFAOYSA-N -1 3 339.391 3.741 20 0 EHADHM O=C(NCC/C=C/c1ccc(Br)cc1)c1ccccc1[O-] ZINC001148839115 1137435918 /nfs/dbraw/zinc/43/59/18/1137435918.db2.gz TWGPUZFMSGPFQV-HWKANZROSA-N -1 3 346.224 3.988 20 0 EHADHM O=C([N-]c1cc(F)cc(F)c1F)c1cnc([C@@H]2CCCO2)s1 ZINC000348138766 1137448211 /nfs/dbraw/zinc/44/82/11/1137448211.db2.gz BGEFFTWKWQUAAS-JTQLQIEISA-N -1 3 328.315 3.664 20 0 EHADHM COC(=O)c1ccc(C(=O)Nc2nc(C3CCCCC3)cs2)[n-]1 ZINC001171515719 1137495826 /nfs/dbraw/zinc/49/58/26/1137495826.db2.gz AGMAWEVUBIGHPU-UHFFFAOYSA-N -1 3 333.413 3.558 20 0 EHADHM O=C(Cc1ccc(Cl)c(Cl)c1)[N-]OCCCC(F)(F)F ZINC000871209696 1137527057 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ZINC000884503861 1137961562 /nfs/dbraw/zinc/96/15/62/1137961562.db2.gz VQLWYEXRJDIPAM-UHFFFAOYSA-N -1 3 342.395 3.702 20 0 EHADHM CC[C@H]1CCC[C@@]1(C)C(=O)OCc1nnc(-c2ccccc2[O-])o1 ZINC000885061434 1137981669 /nfs/dbraw/zinc/98/16/69/1137981669.db2.gz NTFIAWYKMSELEI-KPZWWZAWSA-N -1 3 330.384 3.702 20 0 EHADHM CSc1ccc([O-])c(C(=O)N2CC[C@@H](Cc3nc(C)cs3)C2)c1 ZINC000886217267 1138059952 /nfs/dbraw/zinc/05/99/52/1138059952.db2.gz WEFBFIRPAMZVRD-LBPRGKRZSA-N -1 3 348.493 3.584 20 0 EHADHM CCCCCc1ccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1 ZINC000057770627 1138060451 /nfs/dbraw/zinc/06/04/51/1138060451.db2.gz HLBCKEDISGWYTQ-UHFFFAOYSA-N -1 3 341.455 3.691 20 0 EHADHM COc1cccc(C2(F)CCN([C@@H](C)c3nc(C)cc(=O)[n-]3)CC2)c1 ZINC000337249391 1138508631 /nfs/dbraw/zinc/50/86/31/1138508631.db2.gz LSOGDZPCIUXWHZ-AWEZNQCLSA-N -1 3 345.418 3.521 20 0 EHADHM CSc1nc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)n[n-]1 ZINC000337263994 1138513511 /nfs/dbraw/zinc/51/35/11/1138513511.db2.gz RWMLZFBWITYRDB-RKDXNWHRSA-N -1 3 343.239 3.576 20 0 EHADHM CCSCc1cccc(NC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000337435264 1138568231 /nfs/dbraw/zinc/56/82/31/1138568231.db2.gz CCERTGSDCFACFP-UHFFFAOYSA-N -1 3 330.388 3.602 20 0 EHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C=CC(C)(C)C)c2)n1 ZINC000264606025 1138573856 /nfs/dbraw/zinc/57/38/56/1138573856.db2.gz GIIUVJOTRYTNRF-MDZDMXLPSA-N -1 3 325.412 3.952 20 0 EHADHM CCc1ccc(Cl)c(CC)c1NC(=O)NCc1ncccc1[O-] ZINC000348450606 1138582376 /nfs/dbraw/zinc/58/23/76/1138582376.db2.gz CQCVWPUEUQTOOD-UHFFFAOYSA-N -1 3 333.819 3.887 20 0 EHADHM O=C(N[C@H]1C[C@H]1c1cccc2ccccc21)c1cc(F)cc2n[n-]nc21 ZINC000337572960 1138609902 /nfs/dbraw/zinc/60/99/02/1138609902.db2.gz UFFUGUVCRZLUHG-RDJZCZTQSA-N -1 3 346.365 3.536 20 0 EHADHM O=C(CC[C@@H]1CCCCO1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000152256811 1139081560 /nfs/dbraw/zinc/08/15/60/1139081560.db2.gz AQTDNTMRHWQXRI-AWEZNQCLSA-N -1 3 331.334 3.603 20 0 EHADHM O=C(CCCCc1nc2ccccc2s1)[N-]OCc1cccnc1 ZINC000152310366 1139084405 /nfs/dbraw/zinc/08/44/05/1139084405.db2.gz XGBDFFDYIROCRH-UHFFFAOYSA-N -1 3 341.436 3.652 20 0 EHADHM Cc1noc(C2([N-]C(=O)C(F)(F)c3ccc(C(C)(C)C)cc3)CC2)n1 ZINC000889249770 1139183534 /nfs/dbraw/zinc/18/35/34/1139183534.db2.gz MSGBWBMXCQUWDW-UHFFFAOYSA-N -1 3 349.381 3.573 20 0 EHADHM O=C(c1cc2sccc2c([O-])c1)N1CC[C@H](Cc2nccs2)C1 ZINC000890214165 1139325197 /nfs/dbraw/zinc/32/51/97/1139325197.db2.gz ADFGAQAOSZAIJI-LLVKDONJSA-N -1 3 344.461 3.768 20 0 EHADHM COc1ccc(C(=O)C2CCN(Cc3cc([O-])cc(F)c3)CC2)cc1 ZINC000186171997 1140190209 /nfs/dbraw/zinc/19/02/09/1140190209.db2.gz GIVITDQHUIIWPX-UHFFFAOYSA-N -1 3 343.398 3.635 20 0 EHADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cc(C)c(Cl)s2)s1 ZINC000188086124 1140282900 /nfs/dbraw/zinc/28/29/00/1140282900.db2.gz WCNZFJLPVAKIAU-MRVPVSSYSA-N -1 3 336.891 3.514 20 0 EHADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](C)c2ccc(OCC3CC3)c(F)c2)n1 ZINC000192763055 1140549422 /nfs/dbraw/zinc/54/94/22/1140549422.db2.gz GJKWBVAMDZZNHE-OLZOCXBDSA-N -1 3 345.418 3.830 20 0 EHADHM CC[C@H](C)Oc1cccc(NC(=O)c2c(C)[n-]c(=O)nc2SC)c1 ZINC000266980232 1140745641 /nfs/dbraw/zinc/74/56/41/1140745641.db2.gz FNKFGLSBNWATHT-JTQLQIEISA-N -1 3 347.440 3.642 20 0 EHADHM CCS[C@H]1CCC[C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000267296015 1140776452 /nfs/dbraw/zinc/77/64/52/1140776452.db2.gz WSJIMANTNKTMPZ-STQMWFEESA-N -1 3 330.453 3.735 20 0 EHADHM COc1cc(C(=O)N[C@@H](c2ccc(C)cc2)C2CC2)cc(OC)c1[O-] ZINC000269934018 1141159736 /nfs/dbraw/zinc/15/97/36/1141159736.db2.gz LQXNVUNVAWAZOE-SFHVURJKSA-N -1 3 341.407 3.599 20 0 EHADHM CC(C)(C)c1cnc(C[N-]C(=O)C(F)(F)c2ccccc2F)o1 ZINC000271028562 1141296299 /nfs/dbraw/zinc/29/62/99/1141296299.db2.gz WJRKYTPMELJJSP-UHFFFAOYSA-N -1 3 326.318 3.519 20 0 EHADHM [O-]c1cc(F)cc(CNc2ccc(O[C@H]3CCCC[C@H]3O)cc2)c1 ZINC000274445392 1141530889 /nfs/dbraw/zinc/53/08/89/1141530889.db2.gz PSKIHEVUFTYGEM-MOPGFXCFSA-N -1 3 331.387 3.826 20 0 EHADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc2sccc2c1 ZINC000348938130 1141612760 /nfs/dbraw/zinc/61/27/60/1141612760.db2.gz CJMLZUCWYQYITB-UHFFFAOYSA-N -1 3 346.433 3.525 20 0 EHADHM Cc1cccc([C@H](C)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000737384585 598830189 /nfs/dbraw/zinc/83/01/89/598830189.db2.gz KZWHPNLRDJTQSL-NSHDSACASA-N -1 3 341.802 3.571 20 0 EHADHM Cc1cccc([C@H](C)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000737384585 598830190 /nfs/dbraw/zinc/83/01/90/598830190.db2.gz KZWHPNLRDJTQSL-NSHDSACASA-N -1 3 341.802 3.571 20 0 EHADHM Clc1cc(N2CCC[C@@]3(CC=CCC3)C2)ccc1-c1nnn[n-]1 ZINC000737566553 598916272 /nfs/dbraw/zinc/91/62/72/598916272.db2.gz UZGUDNGBMITHRW-KRWDZBQOSA-N -1 3 329.835 3.847 20 0 EHADHM Clc1cc(N2CCC[C@@]3(CC=CCC3)C2)ccc1-c1nn[n-]n1 ZINC000737566553 598916274 /nfs/dbraw/zinc/91/62/74/598916274.db2.gz UZGUDNGBMITHRW-KRWDZBQOSA-N -1 3 329.835 3.847 20 0 EHADHM CC[C@@H](CC1CCCC1)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000736350896 598922783 /nfs/dbraw/zinc/92/27/83/598922783.db2.gz OMHZRDXWFVCDBJ-ZDUSSCGKSA-N -1 3 346.406 3.656 20 0 EHADHM CC[C@@H](CC1CCCC1)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000736350896 598922786 /nfs/dbraw/zinc/92/27/86/598922786.db2.gz OMHZRDXWFVCDBJ-ZDUSSCGKSA-N -1 3 346.406 3.656 20 0 EHADHM C[C@@H](c1ccc(Cl)cc1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000736200463 598936662 /nfs/dbraw/zinc/93/66/62/598936662.db2.gz SJQDIVQPWREVMW-VIFPVBQESA-N -1 3 349.225 3.766 20 0 EHADHM C[C@@H](c1ccc(Cl)cc1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736200463 598936663 /nfs/dbraw/zinc/93/66/63/598936663.db2.gz SJQDIVQPWREVMW-VIFPVBQESA-N -1 3 349.225 3.766 20 0 EHADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@@H](c1ccccc1)C1CCC1 ZINC000737557066 598941836 /nfs/dbraw/zinc/94/18/36/598941836.db2.gz BJSCVWHXYSZSHL-HNNXBMFYSA-N -1 3 340.818 3.868 20 0 EHADHM Clc1cc(-c2nn[n-]n2)cnc1N[C@@H](c1ccccc1)C1CCC1 ZINC000737557066 598941838 /nfs/dbraw/zinc/94/18/38/598941838.db2.gz BJSCVWHXYSZSHL-HNNXBMFYSA-N -1 3 340.818 3.868 20 0 EHADHM C[C@]1(c2ccccc2)C[C@H]1Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000820633530 599037702 /nfs/dbraw/zinc/03/77/02/599037702.db2.gz BZPJAOYSKCGZIP-YLJYHZDGSA-N -1 3 342.406 3.557 20 0 EHADHM C[C@]1(c2ccccc2)C[C@H]1Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000820633530 599037705 /nfs/dbraw/zinc/03/77/05/599037705.db2.gz BZPJAOYSKCGZIP-YLJYHZDGSA-N -1 3 342.406 3.557 20 0 EHADHM C[C@H]1CCC[C@H](CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000736254418 599045834 /nfs/dbraw/zinc/04/58/34/599045834.db2.gz ZICURPIMIGTSAM-UWVGGRQHSA-N -1 3 340.353 3.519 20 0 EHADHM C[C@H]1CCC[C@H](CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000736254418 599045837 /nfs/dbraw/zinc/04/58/37/599045837.db2.gz ZICURPIMIGTSAM-UWVGGRQHSA-N -1 3 340.353 3.519 20 0 EHADHM COc1cccc(F)c1[C@@H](C)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821871824 599056004 /nfs/dbraw/zinc/05/60/04/599056004.db2.gz FSJDWMITQXGTOE-SECBINFHSA-N -1 3 347.781 3.841 20 0 EHADHM COc1cccc(F)c1[C@@H](C)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821871824 599056007 /nfs/dbraw/zinc/05/60/07/599056007.db2.gz FSJDWMITQXGTOE-SECBINFHSA-N -1 3 347.781 3.841 20 0 EHADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)Oc1ccccc1F ZINC000820276157 599067088 /nfs/dbraw/zinc/06/70/88/599067088.db2.gz SYMQEUGFQIDECV-JTQLQIEISA-N -1 3 347.781 3.539 20 0 EHADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)Oc1ccccc1F ZINC000820276157 599067091 /nfs/dbraw/zinc/06/70/91/599067091.db2.gz SYMQEUGFQIDECV-JTQLQIEISA-N -1 3 347.781 3.539 20 0 EHADHM CC[C@@H](C)C[C@@H](C)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000820870095 599067624 /nfs/dbraw/zinc/06/76/24/599067624.db2.gz MRDYPCVRXSWINI-RKDXNWHRSA-N -1 3 328.342 3.517 20 0 EHADHM CC[C@@H](C)C[C@@H](C)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000820870095 599067625 /nfs/dbraw/zinc/06/76/25/599067625.db2.gz MRDYPCVRXSWINI-RKDXNWHRSA-N -1 3 328.342 3.517 20 0 EHADHM CC[C@@H](C)C[C@H](C)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000820870092 599067725 /nfs/dbraw/zinc/06/77/25/599067725.db2.gz MRDYPCVRXSWINI-BDAKNGLRSA-N -1 3 328.342 3.517 20 0 EHADHM CC[C@@H](C)C[C@H](C)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000820870092 599067727 /nfs/dbraw/zinc/06/77/27/599067727.db2.gz MRDYPCVRXSWINI-BDAKNGLRSA-N -1 3 328.342 3.517 20 0 EHADHM COc1ccccc1[C@H](C)Sc1ncc(-c2nnn[n-]2)cc1Cl ZINC000821882697 599068604 /nfs/dbraw/zinc/06/86/04/599068604.db2.gz IJSCATCVKNINRG-VIFPVBQESA-N -1 3 347.831 3.777 20 0 EHADHM COc1ccccc1[C@H](C)Sc1ncc(-c2nn[n-]n2)cc1Cl ZINC000821882697 599068607 /nfs/dbraw/zinc/06/86/07/599068607.db2.gz IJSCATCVKNINRG-VIFPVBQESA-N -1 3 347.831 3.777 20 0 EHADHM Fc1cccc(Nc2cccc(CC(F)(F)F)c2)c1-c1nnn[n-]1 ZINC000822791563 599085960 /nfs/dbraw/zinc/08/59/60/599085960.db2.gz JHXYAHYMWAULOG-UHFFFAOYSA-N -1 3 337.280 3.854 20 0 EHADHM Fc1cccc(Nc2cccc(CC(F)(F)F)c2)c1-c1nn[n-]n1 ZINC000822791563 599085963 /nfs/dbraw/zinc/08/59/63/599085963.db2.gz JHXYAHYMWAULOG-UHFFFAOYSA-N -1 3 337.280 3.854 20 0 EHADHM CCO[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C12CCCC2 ZINC000821360709 599100709 /nfs/dbraw/zinc/10/07/09/599100709.db2.gz SBNKBCQSJBOTLZ-CABCVRRESA-N -1 3 347.850 3.670 20 0 EHADHM CCO[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C12CCCC2 ZINC000821360709 599100712 /nfs/dbraw/zinc/10/07/12/599100712.db2.gz SBNKBCQSJBOTLZ-CABCVRRESA-N -1 3 347.850 3.670 20 0 EHADHM CCCC[C@@H](CC)CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736437820 599224533 /nfs/dbraw/zinc/22/45/33/599224533.db2.gz GDOBYPMQVWIBTH-GFCCVEGCSA-N -1 3 333.411 3.575 20 0 EHADHM CCCC[C@@H](CC)CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736437820 599224535 /nfs/dbraw/zinc/22/45/35/599224535.db2.gz GDOBYPMQVWIBTH-GFCCVEGCSA-N -1 3 333.411 3.575 20 0 EHADHM Cc1ccc(-c2nnc([C@H](C)N3CCC[C@@H](CC(=O)[O-])C3)o2)cc1C ZINC000818859049 597087324 /nfs/dbraw/zinc/08/73/24/597087324.db2.gz SUQVYOWDAXEUOE-GJZGRUSLSA-N -1 3 343.427 3.601 20 0 EHADHM Cc1c(NC(=O)[C@H](c2ccccc2)C(C)C)cccc1-c1nnn[n-]1 ZINC000822061732 607296713 /nfs/dbraw/zinc/29/67/13/607296713.db2.gz WKQKRPNTVQSFLB-KRWDZBQOSA-N -1 3 335.411 3.553 20 0 EHADHM Cc1c(NC(=O)[C@H](c2ccccc2)C(C)C)cccc1-c1nn[n-]n1 ZINC000822061732 607296714 /nfs/dbraw/zinc/29/67/14/607296714.db2.gz WKQKRPNTVQSFLB-KRWDZBQOSA-N -1 3 335.411 3.553 20 0 EHADHM c1csc(-c2cccc(NCc3cc(-c4nnn[n-]4)cs3)c2)n1 ZINC000823756462 607313760 /nfs/dbraw/zinc/31/37/60/607313760.db2.gz AGAOASBKFDVTAP-UHFFFAOYSA-N -1 3 340.437 3.664 20 0 EHADHM c1csc(-c2cccc(NCc3cc(-c4nn[n-]n4)cs3)c2)n1 ZINC000823756462 607313761 /nfs/dbraw/zinc/31/37/61/607313761.db2.gz AGAOASBKFDVTAP-UHFFFAOYSA-N -1 3 340.437 3.664 20 0 EHADHM CCC(CC)n1ccc(CSc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820903723 607326420 /nfs/dbraw/zinc/32/64/20/607326420.db2.gz WWHOHXQJIZQEKK-UHFFFAOYSA-N -1 3 328.445 3.717 20 0 EHADHM CCC(CC)n1ccc(CSc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820903723 607326421 /nfs/dbraw/zinc/32/64/21/607326421.db2.gz WWHOHXQJIZQEKK-UHFFFAOYSA-N -1 3 328.445 3.717 20 0 EHADHM O=C([O-])c1cccc(CNCc2ccc(OCc3ccncc3)cc2)c1 ZINC000683170581 598194035 /nfs/dbraw/zinc/19/40/35/598194035.db2.gz BVFKFJJMZGKEAI-UHFFFAOYSA-N -1 3 348.402 3.649 20 0 EHADHM CCOc1ccccc1[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000736654273 598243193 /nfs/dbraw/zinc/24/31/93/598243193.db2.gz IPXXQBPNBIJLHW-LLVKDONJSA-N -1 3 327.363 3.578 20 0 EHADHM C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1csc2ccccc21 ZINC000736121321 598360034 /nfs/dbraw/zinc/36/00/34/598360034.db2.gz BNSIWDDUYGHPQI-LLVKDONJSA-N -1 3 349.419 3.572 20 0 EHADHM C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1csc2ccccc21 ZINC000736121321 598360037 /nfs/dbraw/zinc/36/00/37/598360037.db2.gz BNSIWDDUYGHPQI-LLVKDONJSA-N -1 3 349.419 3.572 20 0 EHADHM Fc1ccc2c(c1)[C@@H](Nc1ccc(Cl)cc1-c1nnn[n-]1)CC2 ZINC000737669097 598388719 /nfs/dbraw/zinc/38/87/19/598388719.db2.gz ZRBFULJYJRJRON-AWEZNQCLSA-N -1 3 329.766 3.759 20 0 EHADHM Fc1ccc2c(c1)[C@@H](Nc1ccc(Cl)cc1-c1nn[n-]n1)CC2 ZINC000737669097 598388720 /nfs/dbraw/zinc/38/87/20/598388720.db2.gz ZRBFULJYJRJRON-AWEZNQCLSA-N -1 3 329.766 3.759 20 0 EHADHM Clc1cc(-c2nnn[n-]2)cnc1N[C@@H]1CCCCc2ccccc21 ZINC000737557226 598393648 /nfs/dbraw/zinc/39/36/48/598393648.db2.gz DOAUFYBUZVPWAF-OAHLLOKOSA-N -1 3 340.818 3.795 20 0 EHADHM Clc1cc(-c2nn[n-]n2)cnc1N[C@@H]1CCCCc2ccccc21 ZINC000737557226 598393650 /nfs/dbraw/zinc/39/36/50/598393650.db2.gz DOAUFYBUZVPWAF-OAHLLOKOSA-N -1 3 340.818 3.795 20 0 EHADHM c1sc(-c2ccccc2)nc1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000738423084 598416160 /nfs/dbraw/zinc/41/61/60/598416160.db2.gz NNCYBUFELCDEKX-UHFFFAOYSA-N -1 3 334.408 3.602 20 0 EHADHM CCCCOc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736463012 598522808 /nfs/dbraw/zinc/52/28/08/598522808.db2.gz JKQAFGNDNZMMRM-UHFFFAOYSA-N -1 3 341.390 3.797 20 0 EHADHM CCCCOc1ccccc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736463012 598522809 /nfs/dbraw/zinc/52/28/09/598522809.db2.gz JKQAFGNDNZMMRM-UHFFFAOYSA-N -1 3 341.390 3.797 20 0 EHADHM c1cc(NC2CCCCC2)ccc1Nc1ccc(-c2nnn[n-]2)cn1 ZINC000738413870 598551777 /nfs/dbraw/zinc/55/17/77/598551777.db2.gz ZBHCSPQJCTVIDU-UHFFFAOYSA-N -1 3 335.415 3.750 20 0 EHADHM c1cc(NC2CCCCC2)ccc1Nc1ccc(-c2nn[n-]n2)cn1 ZINC000738413870 598551778 /nfs/dbraw/zinc/55/17/78/598551778.db2.gz ZBHCSPQJCTVIDU-UHFFFAOYSA-N -1 3 335.415 3.750 20 0 EHADHM FC(F)(F)c1cc(NCc2ccsc2)ccc1-c1nnn[n-]1 ZINC000737633714 598575738 /nfs/dbraw/zinc/57/57/38/598575738.db2.gz VGTQSMGFAQHBKL-UHFFFAOYSA-N -1 3 325.319 3.559 20 0 EHADHM FC(F)(F)c1cc(NCc2ccsc2)ccc1-c1nn[n-]n1 ZINC000737633714 598575739 /nfs/dbraw/zinc/57/57/39/598575739.db2.gz VGTQSMGFAQHBKL-UHFFFAOYSA-N -1 3 325.319 3.559 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1NCC1(Sc2ccccc2)CC1 ZINC000737641963 598593975 /nfs/dbraw/zinc/59/39/75/598593975.db2.gz ZVEXIIMTBVQOIW-UHFFFAOYSA-N -1 3 341.415 3.743 20 0 EHADHM CCOCc1ccccc1CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736625025 598639167 /nfs/dbraw/zinc/63/91/67/598639167.db2.gz HQCYQTSQWLVQDE-UHFFFAOYSA-N -1 3 343.818 3.669 20 0 EHADHM CCOCc1ccccc1CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736625025 598639169 /nfs/dbraw/zinc/63/91/69/598639169.db2.gz HQCYQTSQWLVQDE-UHFFFAOYSA-N -1 3 343.818 3.669 20 0 EHADHM CCCC[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(OC)cc1 ZINC000736439030 598673898 /nfs/dbraw/zinc/67/38/98/598673898.db2.gz ROGWJOFAPWMZMJ-MRXNPFEDSA-N -1 3 338.415 3.614 20 0 EHADHM CCCC[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(OC)cc1 ZINC000736439030 598673899 /nfs/dbraw/zinc/67/38/99/598673899.db2.gz ROGWJOFAPWMZMJ-MRXNPFEDSA-N -1 3 338.415 3.614 20 0 EHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1ccc2ccccc2c1 ZINC000738236320 598704274 /nfs/dbraw/zinc/70/42/74/598704274.db2.gz UCCAVGQOKALJLI-UHFFFAOYSA-N -1 3 348.337 3.516 20 0 EHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1ccc2ccccc2c1 ZINC000738236320 598704276 /nfs/dbraw/zinc/70/42/76/598704276.db2.gz UCCAVGQOKALJLI-UHFFFAOYSA-N -1 3 348.337 3.516 20 0 EHADHM O=c1[nH]c2ccccc2cc1CSCc1ccccc1-c1nnn[n-]1 ZINC000738371955 598713331 /nfs/dbraw/zinc/71/33/31/598713331.db2.gz MBKNTGQCITWFLR-UHFFFAOYSA-N -1 3 349.419 3.554 20 0 EHADHM O=c1[nH]c2ccccc2cc1CSCc1ccccc1-c1nn[n-]n1 ZINC000738371955 598713333 /nfs/dbraw/zinc/71/33/33/598713333.db2.gz MBKNTGQCITWFLR-UHFFFAOYSA-N -1 3 349.419 3.554 20 0 EHADHM CCC(=CC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)c1ccccc1 ZINC000736305395 598737512 /nfs/dbraw/zinc/73/75/12/598737512.db2.gz VFMHFSJZXOOTOC-OWBHPGMISA-N -1 3 333.395 3.607 20 0 EHADHM CCC(=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)c1ccccc1 ZINC000736305395 598737513 /nfs/dbraw/zinc/73/75/13/598737513.db2.gz VFMHFSJZXOOTOC-OWBHPGMISA-N -1 3 333.395 3.607 20 0 EHADHM CC(C)Oc1ccccc1CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000735913998 598794446 /nfs/dbraw/zinc/79/44/46/598794446.db2.gz PCEAPODDFPWGFJ-UHFFFAOYSA-N -1 3 343.818 3.919 20 0 EHADHM CC(C)Oc1ccccc1CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000735913998 598794448 /nfs/dbraw/zinc/79/44/48/598794448.db2.gz PCEAPODDFPWGFJ-UHFFFAOYSA-N -1 3 343.818 3.919 20 0 EHADHM Clc1ccc(NCc2cccc3cccnc32)c(-c2nnn[n-]2)c1 ZINC000737576219 598794758 /nfs/dbraw/zinc/79/47/58/598794758.db2.gz YVEPCQKYKXYVJL-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM Clc1ccc(NCc2cccc3cccnc32)c(-c2nn[n-]n2)c1 ZINC000737576219 598794759 /nfs/dbraw/zinc/79/47/59/598794759.db2.gz YVEPCQKYKXYVJL-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM CCC[C@H](C)C(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000736422591 598804218 /nfs/dbraw/zinc/80/42/18/598804218.db2.gz JHFRQFAUSVJXNH-NSHDSACASA-N -1 3 341.440 3.970 20 0 EHADHM CCC[C@H](C)C(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000736422591 598804219 /nfs/dbraw/zinc/80/42/19/598804219.db2.gz JHFRQFAUSVJXNH-NSHDSACASA-N -1 3 341.440 3.970 20 0 EHADHM CC(C)=CC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735679701 598821311 /nfs/dbraw/zinc/82/13/11/598821311.db2.gz MDFMVPNOXIVKIZ-UHFFFAOYSA-N -1 3 335.367 3.564 20 0 EHADHM CC(C)=CC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735679701 598821313 /nfs/dbraw/zinc/82/13/13/598821313.db2.gz MDFMVPNOXIVKIZ-UHFFFAOYSA-N -1 3 335.367 3.564 20 0 EHADHM CN(Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736816300 599303853 /nfs/dbraw/zinc/30/38/53/599303853.db2.gz FTRMLMAFGKHJQH-UHFFFAOYSA-N -1 3 333.317 3.522 20 0 EHADHM CC(C)Oc1ccc(F)cc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735915188 599325063 /nfs/dbraw/zinc/32/50/63/599325063.db2.gz LBFLZYCLRCCPSB-GFCCVEGCSA-N -1 3 341.390 3.966 20 0 EHADHM CC(C)Oc1ccc(F)cc1N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735915188 599325066 /nfs/dbraw/zinc/32/50/66/599325066.db2.gz LBFLZYCLRCCPSB-GFCCVEGCSA-N -1 3 341.390 3.966 20 0 EHADHM Clc1ccccc1OCCSc1ccccc1-c1nnn[n-]1 ZINC000822591977 599345719 /nfs/dbraw/zinc/34/57/19/599345719.db2.gz ZKIAZPIAZSBWEH-UHFFFAOYSA-N -1 3 332.816 3.691 20 0 EHADHM Clc1ccccc1OCCSc1ccccc1-c1nn[n-]n1 ZINC000822591977 599345722 /nfs/dbraw/zinc/34/57/22/599345722.db2.gz ZKIAZPIAZSBWEH-UHFFFAOYSA-N -1 3 332.816 3.691 20 0 EHADHM CCOc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000821422384 599369449 /nfs/dbraw/zinc/36/94/49/599369449.db2.gz WKQGDOOYAQKGRR-LLVKDONJSA-N -1 3 327.363 3.578 20 0 EHADHM CCOc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000821422384 599369451 /nfs/dbraw/zinc/36/94/51/599369451.db2.gz WKQGDOOYAQKGRR-LLVKDONJSA-N -1 3 327.363 3.578 20 0 EHADHM Cc1ccc2c(c1)CC[C@H]2Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737378532 599417131 /nfs/dbraw/zinc/41/71/31/599417131.db2.gz UATPFXCXTCLQAO-OAHLLOKOSA-N -1 3 325.803 3.928 20 0 EHADHM Cc1ccc2c(c1)CC[C@H]2Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737378532 599417132 /nfs/dbraw/zinc/41/71/32/599417132.db2.gz UATPFXCXTCLQAO-OAHLLOKOSA-N -1 3 325.803 3.928 20 0 EHADHM Clc1ccc(-c2nnn[n-]2)c(N2CCCc3sccc3C2)c1 ZINC000737570442 599434705 /nfs/dbraw/zinc/43/47/05/599434705.db2.gz HQAYPWDFZODPHD-UHFFFAOYSA-N -1 3 331.832 3.534 20 0 EHADHM Clc1ccc(-c2nn[n-]n2)c(N2CCCc3sccc3C2)c1 ZINC000737570442 599434706 /nfs/dbraw/zinc/43/47/06/599434706.db2.gz HQAYPWDFZODPHD-UHFFFAOYSA-N -1 3 331.832 3.534 20 0 EHADHM c1ccc2c(c1)SC[C@@H]2Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000738443584 599442830 /nfs/dbraw/zinc/44/28/30/599442830.db2.gz YHFZFNSXWRHEBK-HNNXBMFYSA-N -1 3 346.419 3.674 20 0 EHADHM c1ccc2c(c1)SC[C@@H]2Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000738443584 599442832 /nfs/dbraw/zinc/44/28/32/599442832.db2.gz YHFZFNSXWRHEBK-HNNXBMFYSA-N -1 3 346.419 3.674 20 0 EHADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1cccc(F)c1-c1nnn[n-]1 ZINC000736233922 599472385 /nfs/dbraw/zinc/47/23/85/599472385.db2.gz HEOYTPJCMRNUCZ-WCQYABFASA-N -1 3 341.365 3.527 20 0 EHADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1cccc(F)c1-c1nn[n-]n1 ZINC000736233922 599472388 /nfs/dbraw/zinc/47/23/88/599472388.db2.gz HEOYTPJCMRNUCZ-WCQYABFASA-N -1 3 341.365 3.527 20 0 EHADHM CC(C)COc1cccc(CNc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000820102608 599492236 /nfs/dbraw/zinc/49/22/36/599492236.db2.gz DJJHMVURXBPOTH-UHFFFAOYSA-N -1 3 341.390 3.653 20 0 EHADHM CC(C)COc1cccc(CNc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000820102608 599492238 /nfs/dbraw/zinc/49/22/38/599492238.db2.gz DJJHMVURXBPOTH-UHFFFAOYSA-N -1 3 341.390 3.653 20 0 EHADHM Fc1ccc(NCc2c(Cl)cccc2Cl)c(-c2nnn[n-]2)c1 ZINC000822783144 599504720 /nfs/dbraw/zinc/50/47/20/599504720.db2.gz XFUABMHNZKHXMO-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM Fc1ccc(NCc2c(Cl)cccc2Cl)c(-c2nn[n-]n2)c1 ZINC000822783144 599504725 /nfs/dbraw/zinc/50/47/25/599504725.db2.gz XFUABMHNZKHXMO-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM C[C@H](OC(=O)c1cc2occc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000736160281 599515935 /nfs/dbraw/zinc/51/59/35/599515935.db2.gz QGTADIFTORXOPA-VIFPVBQESA-N -1 3 340.364 3.592 20 0 EHADHM C[C@H](OC(=O)c1cc2occc2s1)c1cccc(-c2nn[n-]n2)c1 ZINC000736160281 599515936 /nfs/dbraw/zinc/51/59/36/599515936.db2.gz QGTADIFTORXOPA-VIFPVBQESA-N -1 3 340.364 3.592 20 0 EHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NCc1ccc(Cl)o1 ZINC000737628618 599519656 /nfs/dbraw/zinc/51/96/56/599519656.db2.gz YQWPSRGLOBCGSU-UHFFFAOYSA-N -1 3 343.696 3.744 20 0 EHADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2C[C@@H](c3ccccc3C)C[C@H]2C)n1 ZINC000737243523 599528344 /nfs/dbraw/zinc/52/83/44/599528344.db2.gz AEHURPCKWITNIC-CVEARBPZSA-N -1 3 348.454 3.569 20 0 EHADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2C[C@@H](c3ccccc3C)C[C@H]2C)n1 ZINC000737243523 599528345 /nfs/dbraw/zinc/52/83/45/599528345.db2.gz AEHURPCKWITNIC-CVEARBPZSA-N -1 3 348.454 3.569 20 0 EHADHM Cc1ccc2c(c1)[C@@H](Nc1c(Cl)cccc1-c1nnn[n-]1)CC2 ZINC000822275652 599542232 /nfs/dbraw/zinc/54/22/32/599542232.db2.gz YAXVKGAQQVZZMS-HNNXBMFYSA-N -1 3 325.803 3.928 20 0 EHADHM Cc1ccc2c(c1)[C@@H](Nc1c(Cl)cccc1-c1nn[n-]n1)CC2 ZINC000822275652 599542233 /nfs/dbraw/zinc/54/22/33/599542233.db2.gz YAXVKGAQQVZZMS-HNNXBMFYSA-N -1 3 325.803 3.928 20 0 EHADHM Clc1ccc2ncc(-c3nnn[n-]3)c(N3Cc4ccccc4C3)c2c1 ZINC000822581243 599542745 /nfs/dbraw/zinc/54/27/45/599542745.db2.gz FPFKIAYZJHNPQR-UHFFFAOYSA-N -1 3 348.797 3.589 20 0 EHADHM Clc1ccc2ncc(-c3nn[n-]n3)c(N3Cc4ccccc4C3)c2c1 ZINC000822581243 599542747 /nfs/dbraw/zinc/54/27/47/599542747.db2.gz FPFKIAYZJHNPQR-UHFFFAOYSA-N -1 3 348.797 3.589 20 0 EHADHM CCSCc1cccc(Nc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000821461145 599578631 /nfs/dbraw/zinc/57/86/31/599578631.db2.gz KMIXEANEITVXHB-UHFFFAOYSA-N -1 3 346.847 3.912 20 0 EHADHM CCSCc1cccc(Nc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000821461145 599578632 /nfs/dbraw/zinc/57/86/32/599578632.db2.gz KMIXEANEITVXHB-UHFFFAOYSA-N -1 3 346.847 3.912 20 0 EHADHM CCN(C(=O)CC(C)(C)CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821146940 599648785 /nfs/dbraw/zinc/64/87/85/599648785.db2.gz BCMYSIWPHZBEIY-ZDUSSCGKSA-N -1 3 329.448 3.603 20 0 EHADHM CCN(C(=O)CC(C)(C)CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821146940 599648786 /nfs/dbraw/zinc/64/87/86/599648786.db2.gz BCMYSIWPHZBEIY-ZDUSSCGKSA-N -1 3 329.448 3.603 20 0 EHADHM O=C([O-])c1ccc(CN(Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000263566732 599996236 /nfs/dbraw/zinc/99/62/36/599996236.db2.gz GEXQEMSNUGHIIF-MRXNPFEDSA-N -1 3 331.437 3.628 20 0 EHADHM CCCCCC[C@H](C)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825271008 607415637 /nfs/dbraw/zinc/41/56/37/607415637.db2.gz FPTNMUWOPUSNRU-AWEZNQCLSA-N -1 3 341.459 3.579 20 0 EHADHM CCCCCC[C@H](C)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825271008 607415638 /nfs/dbraw/zinc/41/56/38/607415638.db2.gz FPTNMUWOPUSNRU-AWEZNQCLSA-N -1 3 341.459 3.579 20 0 EHADHM CC[C@H](C)c1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825076222 607439971 /nfs/dbraw/zinc/43/99/71/607439971.db2.gz USYPHFLVWFHMLH-ZDUSSCGKSA-N -1 3 335.411 3.657 20 0 EHADHM CC[C@H](C)c1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825076222 607439972 /nfs/dbraw/zinc/43/99/72/607439972.db2.gz USYPHFLVWFHMLH-ZDUSSCGKSA-N -1 3 335.411 3.657 20 0 EHADHM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCC(c2nccs2)CC1 ZINC000739519276 600403327 /nfs/dbraw/zinc/40/33/27/600403327.db2.gz XNYAYVUSFLSSKA-CQSZACIVSA-N -1 3 336.844 3.802 20 0 EHADHM O=C([O-])[C@@H](N[C@@H]1CCSc2c(F)cccc21)c1ccc(F)cc1 ZINC000739505608 600420561 /nfs/dbraw/zinc/42/05/61/600420561.db2.gz CWQIUHVQPFRRCH-CABCVRRESA-N -1 3 335.375 3.917 20 0 EHADHM O=C([O-])[C@@H](NCc1ccccc1C(F)(F)F)c1ccc(F)cc1 ZINC000739504517 600430609 /nfs/dbraw/zinc/43/06/09/600430609.db2.gz KLAFMTFJOILIPY-AWEZNQCLSA-N -1 3 327.277 3.760 20 0 EHADHM CCOc1ccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1F ZINC000737203937 600434045 /nfs/dbraw/zinc/43/40/45/600434045.db2.gz QBRGYPPXXAQAKE-INIZCTEOSA-N -1 3 337.778 3.793 20 0 EHADHM CCC(C)(C)N(C)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000736858872 600445216 /nfs/dbraw/zinc/44/52/16/600445216.db2.gz JVWBGYKGCIQNMA-UHFFFAOYSA-N -1 3 347.242 3.751 20 0 EHADHM 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/nfs/dbraw/zinc/40/24/18/608402418.db2.gz AGAUCNMOCOUGCR-VIFPVBQESA-N -1 3 331.832 3.956 20 0 EHADHM C[C@H](Sc1ccc(N)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000824752931 608402419 /nfs/dbraw/zinc/40/24/19/608402419.db2.gz AGAUCNMOCOUGCR-VIFPVBQESA-N -1 3 331.832 3.956 20 0 EHADHM CCCCc1nc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000825296636 608463986 /nfs/dbraw/zinc/46/39/86/608463986.db2.gz RBZMFYNVJOCBNV-LBPRGKRZSA-N -1 3 342.472 3.517 20 0 EHADHM Cc1c(Cl)cccc1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826237026 608572173 /nfs/dbraw/zinc/57/21/73/608572173.db2.gz LOFPQOZCDKAPTE-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1c(Cl)cccc1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826237026 608572174 /nfs/dbraw/zinc/57/21/74/608572174.db2.gz LOFPQOZCDKAPTE-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM CCCC(=CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)CCC ZINC000825218005 608885582 /nfs/dbraw/zinc/88/55/82/608885582.db2.gz AEPYPXNKJURGSR-CYBMUJFWSA-N -1 3 327.432 3.571 20 0 EHADHM CCCC(=CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)CCC ZINC000825218005 608885583 /nfs/dbraw/zinc/88/55/83/608885583.db2.gz AEPYPXNKJURGSR-CYBMUJFWSA-N -1 3 327.432 3.571 20 0 EHADHM C[C@@H](Nc1ccc(OC(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824658358 609162264 /nfs/dbraw/zinc/16/22/64/609162264.db2.gz WJFQMJBTSCFUAI-SNVBAGLBSA-N -1 3 331.326 3.641 20 0 EHADHM C[C@@H](Nc1ccc(OC(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824658358 609162266 /nfs/dbraw/zinc/16/22/66/609162266.db2.gz WJFQMJBTSCFUAI-SNVBAGLBSA-N -1 3 331.326 3.641 20 0 EHADHM COc1ccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1F ZINC000826210257 609165027 /nfs/dbraw/zinc/16/50/27/609165027.db2.gz KKNSHBKCLDGLGH-INIZCTEOSA-N -1 3 339.374 3.504 20 0 EHADHM COc1ccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1F ZINC000826210257 609165028 /nfs/dbraw/zinc/16/50/28/609165028.db2.gz KKNSHBKCLDGLGH-INIZCTEOSA-N -1 3 339.374 3.504 20 0 EHADHM CC(C)C[C@H]1C[C@H](Nc2ccc(Cl)cc2-c2nnn[n-]2)CCO1 ZINC000824244374 609171275 /nfs/dbraw/zinc/17/12/75/609171275.db2.gz QZGMVHZPMXPQGF-OLZOCXBDSA-N -1 3 335.839 3.526 20 0 EHADHM CC(C)C[C@H]1C[C@H](Nc2ccc(Cl)cc2-c2nn[n-]n2)CCO1 ZINC000824244374 609171277 /nfs/dbraw/zinc/17/12/77/609171277.db2.gz QZGMVHZPMXPQGF-OLZOCXBDSA-N -1 3 335.839 3.526 20 0 EHADHM CCOCc1cccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000825605019 609247306 /nfs/dbraw/zinc/24/73/06/609247306.db2.gz NQZAZYBWIZXHIA-IBGZPJMESA-N -1 3 349.438 3.893 20 0 EHADHM CCOCc1cccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000825605019 609247307 /nfs/dbraw/zinc/24/73/07/609247307.db2.gz NQZAZYBWIZXHIA-IBGZPJMESA-N -1 3 349.438 3.893 20 0 EHADHM CCOCc1cccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000825605020 609247439 /nfs/dbraw/zinc/24/74/39/609247439.db2.gz NQZAZYBWIZXHIA-LJQANCHMSA-N -1 3 349.438 3.893 20 0 EHADHM CCOCc1cccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000825605020 609247441 /nfs/dbraw/zinc/24/74/41/609247441.db2.gz NQZAZYBWIZXHIA-LJQANCHMSA-N -1 3 349.438 3.893 20 0 EHADHM C[C@@H](Nc1ccc(Br)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824656085 609267151 /nfs/dbraw/zinc/26/71/51/609267151.db2.gz HLTBKBWRPBLRFJ-SNVBAGLBSA-N -1 3 344.216 3.802 20 0 EHADHM C[C@@H](Nc1ccc(Br)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824656085 609267152 /nfs/dbraw/zinc/26/71/52/609267152.db2.gz HLTBKBWRPBLRFJ-SNVBAGLBSA-N -1 3 344.216 3.802 20 0 EHADHM COc1ccc(Cl)cc1N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826208754 609272668 /nfs/dbraw/zinc/27/26/68/609272668.db2.gz YVWXOYLYVBDQEP-VIFPVBQESA-N -1 3 347.781 3.841 20 0 EHADHM COc1ccc(Cl)cc1N[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826208754 609272669 /nfs/dbraw/zinc/27/26/69/609272669.db2.gz YVWXOYLYVBDQEP-VIFPVBQESA-N -1 3 347.781 3.841 20 0 EHADHM Cc1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)ccc1N(C)C ZINC000826270660 609277209 /nfs/dbraw/zinc/27/72/09/609277209.db2.gz JXWIIUVFQQXROG-GFCCVEGCSA-N -1 3 340.406 3.553 20 0 EHADHM Cc1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)ccc1N(C)C ZINC000826270660 609277211 /nfs/dbraw/zinc/27/72/11/609277211.db2.gz JXWIIUVFQQXROG-GFCCVEGCSA-N -1 3 340.406 3.553 20 0 EHADHM CSCc1cccc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826229180 609278940 /nfs/dbraw/zinc/27/89/40/609278940.db2.gz SMINHHJBLCIBAE-GFCCVEGCSA-N -1 3 325.441 3.903 20 0 EHADHM CSCc1cccc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826229180 609278942 /nfs/dbraw/zinc/27/89/42/609278942.db2.gz SMINHHJBLCIBAE-GFCCVEGCSA-N -1 3 325.441 3.903 20 0 EHADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1ccccc1SC ZINC000825609731 609280255 /nfs/dbraw/zinc/28/02/55/609280255.db2.gz SBNRZXWILWXGPP-UHFFFAOYSA-N -1 3 342.424 3.566 20 0 EHADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1ccccc1SC ZINC000825609731 609280256 /nfs/dbraw/zinc/28/02/56/609280256.db2.gz SBNRZXWILWXGPP-UHFFFAOYSA-N -1 3 342.424 3.566 20 0 EHADHM Cc1nc2cc(NCc3cc(-c4nnn[n-]4)ccc3F)ccc2s1 ZINC000826328759 609281276 /nfs/dbraw/zinc/28/12/76/609281276.db2.gz BSJJHGOSTRJPLZ-UHFFFAOYSA-N -1 3 340.387 3.536 20 0 EHADHM Cc1nc2cc(NCc3cc(-c4nn[n-]n4)ccc3F)ccc2s1 ZINC000826328759 609281278 /nfs/dbraw/zinc/28/12/78/609281278.db2.gz BSJJHGOSTRJPLZ-UHFFFAOYSA-N -1 3 340.387 3.536 20 0 EHADHM CCOc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000825643288 609346021 /nfs/dbraw/zinc/34/60/21/609346021.db2.gz KZQFBEUYJRYGFA-JTQLQIEISA-N -1 3 345.353 3.717 20 0 EHADHM CCOc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000825643288 609346022 /nfs/dbraw/zinc/34/60/22/609346022.db2.gz KZQFBEUYJRYGFA-JTQLQIEISA-N -1 3 345.353 3.717 20 0 EHADHM CC(C)Nc1cc(F)ccc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000824305683 609439220 /nfs/dbraw/zinc/43/92/20/609439220.db2.gz SPLFIGRPHVWMOI-UHFFFAOYSA-N -1 3 344.369 3.577 20 0 EHADHM CC(C)Nc1cc(F)ccc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000824305683 609439222 /nfs/dbraw/zinc/43/92/22/609439222.db2.gz SPLFIGRPHVWMOI-UHFFFAOYSA-N -1 3 344.369 3.577 20 0 EHADHM Fc1cc(-c2nnn[n-]2)ccc1CNc1csc2ccccc12 ZINC000826372375 609440151 /nfs/dbraw/zinc/44/01/51/609440151.db2.gz TTWLBBKKZUNZSK-UHFFFAOYSA-N -1 3 325.372 3.833 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1CNc1csc2ccccc12 ZINC000826372375 609440153 /nfs/dbraw/zinc/44/01/53/609440153.db2.gz TTWLBBKKZUNZSK-UHFFFAOYSA-N -1 3 325.372 3.833 20 0 EHADHM CCC(C)=C(C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000825050911 609507733 /nfs/dbraw/zinc/50/77/33/609507733.db2.gz LQRUOGIKURXOQT-BLUPIXKYSA-N -1 3 345.472 3.738 20 0 EHADHM CC/C(C)=C(/C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000825050911 609507734 /nfs/dbraw/zinc/50/77/34/609507734.db2.gz LQRUOGIKURXOQT-BLUPIXKYSA-N -1 3 345.472 3.738 20 0 EHADHM CC[C@@H](Nc1nccc(C)c1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000825149102 609525820 /nfs/dbraw/zinc/52/58/20/609525820.db2.gz VHYCCVXMKFSUIJ-CYBMUJFWSA-N -1 3 328.807 3.787 20 0 EHADHM CC[C@@H](Nc1nccc(C)c1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000825149102 609525822 /nfs/dbraw/zinc/52/58/22/609525822.db2.gz VHYCCVXMKFSUIJ-CYBMUJFWSA-N -1 3 328.807 3.787 20 0 EHADHM CSc1ccc(CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)cc1 ZINC000826231120 609539494 /nfs/dbraw/zinc/53/94/94/609539494.db2.gz XYDPVRBDIPZKFQ-UHFFFAOYSA-N -1 3 346.847 3.558 20 0 EHADHM CSc1ccc(CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)cc1 ZINC000826231120 609539496 /nfs/dbraw/zinc/53/94/96/609539496.db2.gz XYDPVRBDIPZKFQ-UHFFFAOYSA-N -1 3 346.847 3.558 20 0 EHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000738143399 945250355 /nfs/dbraw/zinc/25/03/55/945250355.db2.gz ARWDMVZAMMMMJR-KGLIPLIRSA-N -1 3 345.834 3.675 20 0 EHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000738143399 945250362 /nfs/dbraw/zinc/25/03/62/945250362.db2.gz ARWDMVZAMMMMJR-KGLIPLIRSA-N -1 3 345.834 3.675 20 0 EHADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000738143401 945251795 /nfs/dbraw/zinc/25/17/95/945251795.db2.gz ARWDMVZAMMMMJR-UONOGXRCSA-N -1 3 345.834 3.675 20 0 EHADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000738143401 945251803 /nfs/dbraw/zinc/25/18/03/945251803.db2.gz ARWDMVZAMMMMJR-UONOGXRCSA-N -1 3 345.834 3.675 20 0 EHADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)c1ccc2ccccc2c1 ZINC000819876888 945303533 /nfs/dbraw/zinc/30/35/33/945303533.db2.gz JRCMKEHSJDCIRQ-ZDUSSCGKSA-N -1 3 343.390 3.762 20 0 EHADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)c1ccc2ccccc2c1 ZINC000819876888 945303539 /nfs/dbraw/zinc/30/35/39/945303539.db2.gz JRCMKEHSJDCIRQ-ZDUSSCGKSA-N -1 3 343.390 3.762 20 0 EHADHM CN(Cc1cccc(-c2nnn[n-]2)c1)[C@H](c1ccccc1)C(F)(F)F ZINC000736821223 944896202 /nfs/dbraw/zinc/89/62/02/944896202.db2.gz ACISYKZGMUDZHM-OAHLLOKOSA-N -1 3 347.344 3.602 20 0 EHADHM CN(Cc1cccc(-c2nn[n-]n2)c1)[C@H](c1ccccc1)C(F)(F)F ZINC000736821223 944896212 /nfs/dbraw/zinc/89/62/12/944896212.db2.gz ACISYKZGMUDZHM-OAHLLOKOSA-N -1 3 347.344 3.602 20 0 EHADHM O=C([O-])c1ccc(CN2CCC(Cc3ccccc3)CC2)c(F)c1 ZINC000324801933 971158553 /nfs/dbraw/zinc/15/85/53/971158553.db2.gz POCVHLKYYJQAIK-UHFFFAOYSA-N -1 3 327.399 3.979 20 0 EHADHM C[C@@H](NC(=O)C1CCC1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824469575 946719110 /nfs/dbraw/zinc/71/91/10/946719110.db2.gz ACRPRSKYDPKCQB-CYBMUJFWSA-N -1 3 347.422 3.511 20 0 EHADHM C[C@@H](NC(=O)C1CCC1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824469575 946719118 /nfs/dbraw/zinc/71/91/18/946719118.db2.gz ACRPRSKYDPKCQB-CYBMUJFWSA-N -1 3 347.422 3.511 20 0 EHADHM C[C@H](N[C@@H](C)c1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824529570 946766221 /nfs/dbraw/zinc/76/62/21/946766221.db2.gz HCYUKQOZTFALCN-UWVGGRQHSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@H](N[C@@H](C)c1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824529570 946766231 /nfs/dbraw/zinc/76/62/31/946766231.db2.gz HCYUKQOZTFALCN-UWVGGRQHSA-N -1 3 347.344 3.696 20 0 EHADHM CCC(CC)N(CC(C)C)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825107953 947079195 /nfs/dbraw/zinc/07/91/95/947079195.db2.gz SPYXFJCTMURHFV-UHFFFAOYSA-N -1 3 349.866 3.807 20 0 EHADHM CCC(CC)N(CC(C)C)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825107953 947079207 /nfs/dbraw/zinc/07/92/07/947079207.db2.gz SPYXFJCTMURHFV-UHFFFAOYSA-N -1 3 349.866 3.807 20 0 EHADHM Cc1ccc(CN[C@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)cc1 ZINC000826288706 947840035 /nfs/dbraw/zinc/84/00/35/947840035.db2.gz SNAOHPZCCFMQNB-OAHLLOKOSA-N -1 3 347.344 3.568 20 0 EHADHM Cc1ccc(CN[C@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)cc1 ZINC000826288706 947840041 /nfs/dbraw/zinc/84/00/41/947840041.db2.gz SNAOHPZCCFMQNB-OAHLLOKOSA-N -1 3 347.344 3.568 20 0 EHADHM Cc1ccnc(N[C@@H](C)c2c(F)cccc2Cl)c1-c1nnn[n-]1 ZINC000826311918 947905167 /nfs/dbraw/zinc/90/51/67/947905167.db2.gz QSSODFHAPKRDNN-VIFPVBQESA-N -1 3 332.770 3.536 20 0 EHADHM Cc1ccnc(N[C@@H](C)c2c(F)cccc2Cl)c1-c1nn[n-]n1 ZINC000826311918 947905170 /nfs/dbraw/zinc/90/51/70/947905170.db2.gz QSSODFHAPKRDNN-VIFPVBQESA-N -1 3 332.770 3.536 20 0 EHADHM CC(C)[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001574079420 948770543 /nfs/dbraw/zinc/77/05/43/948770543.db2.gz JDKOQVGYXSBYTF-MRXNPFEDSA-N -1 3 329.354 3.954 20 0 EHADHM CC(C)[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001574079420 948770552 /nfs/dbraw/zinc/77/05/52/948770552.db2.gz JDKOQVGYXSBYTF-MRXNPFEDSA-N -1 3 329.354 3.954 20 0 EHADHM C[C@H](c1ccccc1Br)N1CCC(C)(C(=O)[O-])CC1 ZINC000086776716 949065479 /nfs/dbraw/zinc/06/54/79/949065479.db2.gz BFHWIDYQHVUXCT-LLVKDONJSA-N -1 3 326.234 3.697 20 0 EHADHM O=C([O-])c1ccc(CN[C@H]2c3ccccc3CC[C@H]2n2ccnc2)cc1 ZINC001595232078 949352880 /nfs/dbraw/zinc/35/28/80/949352880.db2.gz FKFIKZNQMFXVOQ-UXHICEINSA-N -1 3 347.418 3.600 20 0 EHADHM CC(C)(C)Oc1ccc(NCC2CCSCC2)cc1-c1nnn[n-]1 ZINC001573876961 950681671 /nfs/dbraw/zinc/68/16/71/950681671.db2.gz YMUPUFDFPZELPE-UHFFFAOYSA-N -1 3 347.488 3.599 20 0 EHADHM CC(C)(C)Oc1ccc(NCC2CCSCC2)cc1-c1nn[n-]n1 ZINC001573876961 950681694 /nfs/dbraw/zinc/68/16/94/950681694.db2.gz YMUPUFDFPZELPE-UHFFFAOYSA-N -1 3 347.488 3.599 20 0 EHADHM C[C@@H](OC(=O)C[C@@H](C)CC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC001574520662 950742132 /nfs/dbraw/zinc/74/21/32/950742132.db2.gz WOFGQUPWIDSIHO-CHWSQXEVSA-N -1 3 330.432 3.933 20 0 EHADHM C[C@@H](OC(=O)C[C@@H](C)CC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC001574520662 950742144 /nfs/dbraw/zinc/74/21/44/950742144.db2.gz WOFGQUPWIDSIHO-CHWSQXEVSA-N -1 3 330.432 3.933 20 0 EHADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(OCC2CCCCCC2)n1 ZINC001573881249 950751997 /nfs/dbraw/zinc/75/19/97/950751997.db2.gz BEVJLXQFWSJKIN-UHFFFAOYSA-N -1 3 329.448 3.908 20 0 EHADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(OCC2CCCCCC2)n1 ZINC001573881249 950752016 /nfs/dbraw/zinc/75/20/16/950752016.db2.gz BEVJLXQFWSJKIN-UHFFFAOYSA-N -1 3 329.448 3.908 20 0 EHADHM CC(C)(C)c1ccccc1COC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001573884203 950791067 /nfs/dbraw/zinc/79/10/67/950791067.db2.gz LGDMPDWXVULVEC-UHFFFAOYSA-N -1 3 342.424 3.583 20 0 EHADHM CC(C)(C)c1ccccc1COC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001573884203 950791081 /nfs/dbraw/zinc/79/10/81/950791081.db2.gz LGDMPDWXVULVEC-UHFFFAOYSA-N -1 3 342.424 3.583 20 0 EHADHM CC(C)(/C=C\Cl)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001573893835 950910782 /nfs/dbraw/zinc/91/07/82/950910782.db2.gz YXOXYSSEAUMSTE-WAYWQWQTSA-N -1 3 342.628 3.572 20 0 EHADHM CC(C)(/C=C\Cl)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001573893835 950910794 /nfs/dbraw/zinc/91/07/94/950910794.db2.gz YXOXYSSEAUMSTE-WAYWQWQTSA-N -1 3 342.628 3.572 20 0 EHADHM 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ZINC001599628785 994186730 /nfs/dbraw/zinc/18/67/30/994186730.db2.gz VUBKVHGSCPUGBI-LJQANCHMSA-N -1 3 342.439 3.550 20 0 EHADHM COc1ccc2c(c1)CCC[C@@H]2N(C)Cc1cc(C(=O)[O-])oc1C ZINC001599628873 994188616 /nfs/dbraw/zinc/18/86/16/994188616.db2.gz YTVHBBMIPBGEFM-KRWDZBQOSA-N -1 3 329.396 3.804 20 0 EHADHM C[C@H](NC1(c2ccc3c(c2)OCO3)CC1)c1cc(C(=O)[O-])cs1 ZINC001593210965 994258125 /nfs/dbraw/zinc/25/81/25/994258125.db2.gz VAAWBTJSKKIKIS-JTQLQIEISA-N -1 3 331.393 3.515 20 0 EHADHM C[C@H](N[C@H]1CCCN(c2ccccc2Cl)C1)c1cc(C(=O)[O-])co1 ZINC001593224394 994341316 /nfs/dbraw/zinc/34/13/16/994341316.db2.gz QKTCLKSVZJSCJA-JSGCOSHPSA-N -1 3 348.830 3.951 20 0 EHADHM C[C@@H](NC[C@H](O)c1cccc2ccccc21)c1cc(C(=O)[O-])co1 ZINC001593246076 994445805 /nfs/dbraw/zinc/44/58/05/994445805.db2.gz GVCLMOHFEZPCML-PXAZEXFGSA-N -1 3 325.364 3.515 20 0 EHADHM C[C@H](NC[C@@H](O)c1ccc(C(C)(C)C)cc1)c1cc(C(=O)[O-])co1 ZINC001593246378 994450353 /nfs/dbraw/zinc/45/03/53/994450353.db2.gz KTBVRZBETNFWOM-BLLLJJGKSA-N -1 3 331.412 3.660 20 0 EHADHM C[C@@H](NCCOc1ccc(/C=C\C(=O)[O-])cc1)c1cccc(F)c1F ZINC001593272955 994616247 /nfs/dbraw/zinc/61/62/47/994616247.db2.gz VFPOIFVDTMQPLS-PGJNLMOESA-N -1 3 347.361 3.792 20 0 EHADHM C[C@H](NCCc1csc(-c2ccccc2)n1)c1cc(C(=O)[O-])co1 ZINC001593275863 994629941 /nfs/dbraw/zinc/62/99/41/994629941.db2.gz VUMBPZTUVIOTCK-LBPRGKRZSA-N -1 3 342.420 3.995 20 0 EHADHM C[C@@H](NC[C@H]1[C@H](c2ccccc2)C1(C)C)c1ncc(C(=O)[O-])s1 ZINC001593286720 994648754 /nfs/dbraw/zinc/64/87/54/994648754.db2.gz XNUCBGRABCJLNN-ZLDLUXBVSA-N -1 3 330.453 3.932 20 0 EHADHM COc1cccc(C2(N[C@@H](C)c3cncc(C(=O)[O-])c3)CCC2)c1 ZINC001599663880 994698331 /nfs/dbraw/zinc/69/83/31/994698331.db2.gz GHKITFYDGQNEHS-ZDUSSCGKSA-N -1 3 326.396 3.518 20 0 EHADHM C[C@@H](NCc1ccsc1C(=O)[O-])c1cccc(N2CCCC2)c1 ZINC001593309802 994767407 /nfs/dbraw/zinc/76/74/07/994767407.db2.gz BCJJHMUXRPRFDW-CYBMUJFWSA-N -1 3 330.453 3.897 20 0 EHADHM COc1cccc(CN(Cc2cc(C)c(C(=O)[O-])o2)CC(C)C)c1 ZINC001599673831 994860717 /nfs/dbraw/zinc/86/07/17/994860717.db2.gz XAVVQPOWPRWAEE-UHFFFAOYSA-N -1 3 331.412 3.953 20 0 EHADHM C[C@@H](N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc(C(=O)[O-])o1 ZINC001593354689 994996758 /nfs/dbraw/zinc/99/67/58/994996758.db2.gz WTVPRLMDMODCOQ-ZXIHIIQKSA-N -1 3 335.787 3.812 20 0 EHADHM CC1(C)CCC[C@](NCc2ncc(Cl)cc2Cl)(C(=O)[O-])C1 ZINC001593896295 996752651 /nfs/dbraw/zinc/75/26/51/996752651.db2.gz UGJVNQZNQWHKDC-OAHLLOKOSA-N -1 3 331.243 3.902 20 0 EHADHM CC1(C)CCC[C@H]1[C@H]1CCN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)C1 ZINC001593897037 996756901 /nfs/dbraw/zinc/75/69/01/996756901.db2.gz IKKITTCEQNFSMP-GJZGRUSLSA-N -1 3 341.455 3.909 20 0 EHADHM COC1([C@@H](N[C@@H](C)c2ccc(Cl)cc2Cl)C(=O)[O-])CCC1 ZINC001599085896 997096920 /nfs/dbraw/zinc/09/69/20/997096920.db2.gz QQKQJGYVQASBIO-ZANVPECISA-N -1 3 332.227 3.666 20 0 EHADHM COC[C@]1(C(=O)[O-])CCCN1Cc1ccc2oc3ccccc3c2c1 ZINC001599192991 997157823 /nfs/dbraw/zinc/15/78/23/997157823.db2.gz OTQZAKIFGLWJIP-FQEVSTJZSA-N -1 3 339.391 3.652 20 0 EHADHM COc1ccc([C@H]2CCCN2Cc2[nH]cc(C(=O)[O-])c2C2CC2)cc1 ZINC001599539559 997810478 /nfs/dbraw/zinc/81/04/78/997810478.db2.gz MBILABSOUVCTEQ-GOSISDBHSA-N -1 3 340.423 3.936 20 0 EHADHM C[C@]1(c2ccccc2)CCCN(Cc2nc(C(=O)[O-])cs2)CC1 ZINC001594079351 997965336 /nfs/dbraw/zinc/96/53/36/997965336.db2.gz BYNZRZXYJYELSX-SFHVURJKSA-N -1 3 330.453 3.785 20 0 EHADHM COc1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1C(C)(C)C ZINC001599572623 998389990 /nfs/dbraw/zinc/38/99/90/998389990.db2.gz HGUARDXOUXMSMW-UHFFFAOYSA-N -1 3 327.424 3.981 20 0 EHADHM C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001594177171 998685797 /nfs/dbraw/zinc/68/57/97/998685797.db2.gz STOZAWSAXVSGIT-BXUZGUMPSA-N -1 3 327.346 3.576 20 0 EHADHM COC(C)(C)CCN(C)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001599032587 999061263 /nfs/dbraw/zinc/06/12/63/999061263.db2.gz LGBXIYSXGGXQOP-ZDUSSCGKSA-N -1 3 334.243 3.866 20 0 EHADHM COc1ccc(COCCC(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000153666893 1016314880 /nfs/dbraw/zinc/31/48/80/1016314880.db2.gz HGOUDEJYJAIAEG-UHFFFAOYSA-N -1 3 335.787 3.600 20 0 EHADHM CC(C)n1nc(-c2ccccc2)cc1NC(=O)c1cccc2n[n-]nc21 ZINC000187975887 1016574324 /nfs/dbraw/zinc/57/43/24/1016574324.db2.gz JDQDWBIBAIBLAI-UHFFFAOYSA-N -1 3 346.394 3.655 20 0 EHADHM O=C(NCc1ccc([O-])c(F)c1)N(CCc1cccc(F)c1)C1CC1 ZINC000163659098 1017043682 /nfs/dbraw/zinc/04/36/82/1017043682.db2.gz WFCPDHAIRAVIDP-UHFFFAOYSA-N -1 3 346.377 3.587 20 0 EHADHM C[C@]1(CNC(=O)NCc2ccc([O-])c(F)c2)CCCc2ccccc21 ZINC000538179955 1032198147 /nfs/dbraw/zinc/19/81/47/1032198147.db2.gz ISRWEZJRWHJDLK-HXUWFJFHSA-N -1 3 342.414 3.625 20 0 EHADHM [O-]c1ccc(Cc2nc(-c3ccc(Br)cc3)no2)cc1F ZINC000904714192 1032206110 /nfs/dbraw/zinc/20/61/10/1032206110.db2.gz ROGLENZVAYUZPA-UHFFFAOYSA-N -1 3 349.159 3.935 20 0 EHADHM [O-]c1cccc(CN(Cc2cccnc2)C2CC2)c1Br ZINC000459549632 1032268979 /nfs/dbraw/zinc/26/89/79/1032268979.db2.gz FPOKHAZKQVPKMQ-UHFFFAOYSA-N -1 3 333.229 3.714 20 0 EHADHM CN(Cc1ccccc1)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000905019092 1032318523 /nfs/dbraw/zinc/31/85/23/1032318523.db2.gz AUFIUHNFMRRBPD-UHFFFAOYSA-N -1 3 347.440 3.762 20 0 EHADHM COc1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c([O-])c1 ZINC000081680612 1032344733 /nfs/dbraw/zinc/34/47/33/1032344733.db2.gz LGOWGXFIAREOFP-UHFFFAOYSA-N -1 3 329.371 3.560 20 0 EHADHM CCc1nc(-c2ccccc2NC(=O)c2cc([O-])ccc2Cl)n[nH]1 ZINC000343774181 1032348523 /nfs/dbraw/zinc/34/85/23/1032348523.db2.gz ZUTCLSOMFSQMBL-UHFFFAOYSA-N -1 3 342.786 3.645 20 0 EHADHM O=S(=O)([N-]CCc1cccc(Cl)c1)c1cccc(Cl)c1F ZINC000032405971 1032424605 /nfs/dbraw/zinc/42/46/05/1032424605.db2.gz UKRULTZCBAUXKS-UHFFFAOYSA-N -1 3 348.226 3.654 20 0 EHADHM CN(CCCC(=O)[O-])Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000414637351 1017086356 /nfs/dbraw/zinc/08/63/56/1017086356.db2.gz LWTGKWDWCDQUQC-UHFFFAOYSA-N -1 3 343.471 3.526 20 0 EHADHM Cc1cc(F)c(CNC[C@H](Cc2ccccc2)C(=O)[O-])c(Cl)c1 ZINC000669469968 1032686763 /nfs/dbraw/zinc/68/67/63/1032686763.db2.gz QZJZUNREAJDPNC-AWEZNQCLSA-N -1 3 335.806 3.821 20 0 EHADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H](Nc2ccccc2)C1 ZINC000431848233 1018096072 /nfs/dbraw/zinc/09/60/72/1018096072.db2.gz NUIRGILNBYUHNW-AWEZNQCLSA-N -1 3 330.815 3.762 20 0 EHADHM CC[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(F)cc1F ZINC000129092565 1018915742 /nfs/dbraw/zinc/91/57/42/1018915742.db2.gz SMCUTGUQFDPLPP-INIZCTEOSA-N -1 3 342.345 3.687 20 0 EHADHM O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)c1cc([O-])ccc1Cl ZINC000340692524 1019398927 /nfs/dbraw/zinc/39/89/27/1019398927.db2.gz VZRWMGQFESAFDV-CXAGYDPISA-N -1 3 331.799 3.553 20 0 EHADHM Cc1cccc([O-])c1-c1nc(-c2ncccc2Br)no1 ZINC000706621412 1019701234 /nfs/dbraw/zinc/70/12/34/1019701234.db2.gz CUDXRCZOWWXVQR-UHFFFAOYSA-N -1 3 332.157 3.575 20 0 EHADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)oc2C)c1 ZINC000280025527 1019990884 /nfs/dbraw/zinc/99/08/84/1019990884.db2.gz VHOCETKKCNVQDT-UHFFFAOYSA-N -1 3 341.816 3.943 20 0 EHADHM CC(=O)c1ccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)c(F)c1 ZINC000345169160 1020004004 /nfs/dbraw/zinc/00/40/04/1020004004.db2.gz VYUHILOBTRWWNG-LLVKDONJSA-N -1 3 327.355 3.888 20 0 EHADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)Cc2ccc(Cl)cc2Cl)n1 ZINC000684088276 1020104342 /nfs/dbraw/zinc/10/43/42/1020104342.db2.gz PQGREZYOHPLZDE-SNVBAGLBSA-N -1 3 326.227 3.990 20 0 EHADHM Cc1nc(-c2cccc(NC([O-])=NO[C@@H]3CCCCO3)c2)oc1C ZINC000155873973 1020104765 /nfs/dbraw/zinc/10/47/65/1020104765.db2.gz DDIDGBIQGKGCTK-OAHLLOKOSA-N -1 3 331.372 3.538 20 0 EHADHM Cc1nc(-c2cccc(NC(=O)[N-]O[C@@H]3CCCCO3)c2)oc1C ZINC000155873973 1020104778 /nfs/dbraw/zinc/10/47/78/1020104778.db2.gz DDIDGBIQGKGCTK-OAHLLOKOSA-N -1 3 331.372 3.538 20 0 EHADHM CC(=O)Nc1ccc(C)cc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000345388728 1020223470 /nfs/dbraw/zinc/22/34/70/1020223470.db2.gz WVPWOZFMKRBJRK-UHFFFAOYSA-N -1 3 344.386 3.760 20 0 EHADHM C[C@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)c2ccccc2O1 ZINC000345466406 1020278851 /nfs/dbraw/zinc/27/88/51/1020278851.db2.gz WPHIZSKTWXWQBV-ZDUSSCGKSA-N -1 3 329.371 3.668 20 0 EHADHM Cc1ccccc1-c1cc(=NC(=O)[C@H]2CCCc3c(O)cccc32)[nH][n-]1 ZINC000476126275 1032897015 /nfs/dbraw/zinc/89/70/15/1032897015.db2.gz AHBOYTIQKXNXLY-KRWDZBQOSA-N -1 3 347.418 3.571 20 0 EHADHM Cc1sccc1CC(=O)Nc1cc(Br)ccc1[O-] ZINC000345798136 1020528037 /nfs/dbraw/zinc/52/80/37/1020528037.db2.gz XXESNDXBCDHEBY-UHFFFAOYSA-N -1 3 326.215 3.706 20 0 EHADHM CCN(CCC(F)(F)F)Cc1cccc([O-])c1Br ZINC000656428132 1020538303 /nfs/dbraw/zinc/53/83/03/1020538303.db2.gz MAMGQPJUIFSPNN-UHFFFAOYSA-N -1 3 326.156 3.929 20 0 EHADHM O=C([O-])CC[C@@H]1CCCCN1Cc1cc(Br)cs1 ZINC000050925786 1020722097 /nfs/dbraw/zinc/72/20/97/1020722097.db2.gz MGNLRDSDHHHVSR-NSHDSACASA-N -1 3 332.263 3.730 20 0 EHADHM CCn1cc(CCSCc2cc(=O)[n-]c(-c3ccccc3)n2)cn1 ZINC000419597747 1020730610 /nfs/dbraw/zinc/73/06/10/1020730610.db2.gz BELUGEBAEHNOQY-UHFFFAOYSA-N -1 3 340.452 3.542 20 0 EHADHM CCCc1nc(COC(=O)c2cc(-c3ccc(C)o3)[n-]n2)cs1 ZINC000728329648 1020798578 /nfs/dbraw/zinc/79/85/78/1020798578.db2.gz RLVVOIRDCZZYSE-UHFFFAOYSA-N -1 3 331.397 3.744 20 0 EHADHM CCCc1nc(COC(=O)c2cc(-c3ccc(C)o3)n[n-]2)cs1 ZINC000728329648 1020798583 /nfs/dbraw/zinc/79/85/83/1020798583.db2.gz RLVVOIRDCZZYSE-UHFFFAOYSA-N -1 3 331.397 3.744 20 0 EHADHM Cc1ccc(C(=O)N2CCC(CCC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000598144995 1032936407 /nfs/dbraw/zinc/93/64/07/1032936407.db2.gz ZVKMWPJQLGGURR-UHFFFAOYSA-N -1 3 347.455 3.675 20 0 EHADHM COCc1csc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000656565811 1020922211 /nfs/dbraw/zinc/92/22/11/1020922211.db2.gz VBGOBAKAUWMQPD-OAHLLOKOSA-N -1 3 339.844 3.854 20 0 EHADHM CCC1(CC)CCCN(C(=O)c2cc(NC(C)=O)ccc2[O-])CC1 ZINC000276287989 1020997234 /nfs/dbraw/zinc/99/72/34/1020997234.db2.gz WIMKSWNTMWANGQ-UHFFFAOYSA-N -1 3 332.444 3.783 20 0 EHADHM CCOc1cc(CN2C[C@@H](CO)Cc3ccccc32)cc(Cl)c1[O-] ZINC000656630286 1021061583 /nfs/dbraw/zinc/06/15/83/1021061583.db2.gz PQKHXCLKNOPZHE-AWEZNQCLSA-N -1 3 347.842 3.616 20 0 EHADHM COc1cc(CN(C)C(=O)c2ccc(C(C)C)cc2[O-])cc(OC)c1 ZINC000436765795 1021213764 /nfs/dbraw/zinc/21/37/64/1021213764.db2.gz YVKYMJUFLWNTIG-UHFFFAOYSA-N -1 3 343.423 3.805 20 0 EHADHM CO[C@H](CS(=O)(=O)[N-]c1c(C)c(F)ccc1Cl)C1CCCC1 ZINC000656733406 1021226510 /nfs/dbraw/zinc/22/65/10/1021226510.db2.gz IHSJCQPOVMLBTC-CQSZACIVSA-N -1 3 349.855 3.734 20 0 EHADHM CC(C)c1cc(C(=O)Nc2cc(Br)ccc2[O-])on1 ZINC000436794126 1021236794 /nfs/dbraw/zinc/23/67/94/1021236794.db2.gz ABXLYHKDXAFIHN-UHFFFAOYSA-N -1 3 325.162 3.518 20 0 EHADHM CCc1ccc(C(=O)N(C)CCCOc2ccc(F)cc2)c([O-])c1 ZINC000436813262 1021257654 /nfs/dbraw/zinc/25/76/54/1021257654.db2.gz DJOITMXDMKHQMT-UHFFFAOYSA-N -1 3 331.387 3.635 20 0 EHADHM Cc1cc(C(=O)Nc2cc(F)ccc2[O-])nn1-c1c(F)cccc1F ZINC000436829597 1021261672 /nfs/dbraw/zinc/26/16/72/1021261672.db2.gz MAWMUKFXAHCORX-UHFFFAOYSA-N -1 3 347.296 3.556 20 0 EHADHM CCc1ccc(C(=O)N(C)[C@H](C)Cc2ccccc2OC)c([O-])c1 ZINC000436835428 1021269932 /nfs/dbraw/zinc/26/99/32/1021269932.db2.gz WEHQKSMELGLJNA-CQSZACIVSA-N -1 3 327.424 3.666 20 0 EHADHM COC(C)(C)CS(=O)(=O)[N-]c1cccc(Oc2ccccc2)c1 ZINC000439250846 1021270834 /nfs/dbraw/zinc/27/08/34/1021270834.db2.gz VTIQXDQMRUAHCI-UHFFFAOYSA-N -1 3 335.425 3.646 20 0 EHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CCC[C@H](C)C3)c2)n1 ZINC000151339536 1021279102 /nfs/dbraw/zinc/27/91/02/1021279102.db2.gz BGQOZNHWGRWHBN-DZGCQCFKSA-N -1 3 339.439 3.764 20 0 EHADHM CCc1ccc(-c2nc(-c3cncc(Br)c3)no2)c([O-])c1 ZINC000436843055 1021286705 /nfs/dbraw/zinc/28/67/05/1021286705.db2.gz FVQCSYHPYUZEEF-UHFFFAOYSA-N -1 3 346.184 3.829 20 0 EHADHM Cc1c(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)oc2c1c(C)ccc2C ZINC000473857696 1021292547 /nfs/dbraw/zinc/29/25/47/1021292547.db2.gz OBTDKDCWQBRZMO-CQSZACIVSA-N -1 3 339.395 3.607 20 0 EHADHM O=C([O-])[C@@H]1CCN(Cc2csc(-c3ccoc3)n2)[C@@H]2CCCC[C@@H]12 ZINC000656765462 1021297435 /nfs/dbraw/zinc/29/74/35/1021297435.db2.gz NKAZCEWTQDHIGU-ARFHVFGLSA-N -1 3 346.452 3.868 20 0 EHADHM CCc1ccc(-c2nc(-c3ccc(N(CC)CC)nc3)no2)c([O-])c1 ZINC000436865044 1021303022 /nfs/dbraw/zinc/30/30/22/1021303022.db2.gz RCJSAUCDPIFMIN-UHFFFAOYSA-N -1 3 338.411 3.913 20 0 EHADHM O=C([O-])[C@@H]1CCN(Cc2cccc(Cl)c2F)[C@@H]2CCCC[C@H]12 ZINC000656768389 1021304916 /nfs/dbraw/zinc/30/49/16/1021304916.db2.gz XNUJYPYFQDFANU-UMVBOHGHSA-N -1 3 325.811 3.944 20 0 EHADHM Cc1ccc([O-])c(C(=O)Nc2nnc(Cc3ccc(F)cc3)s2)c1 ZINC000518588188 1021336514 /nfs/dbraw/zinc/33/65/14/1021336514.db2.gz ZMGMQWMLDIJLFO-UHFFFAOYSA-N -1 3 343.383 3.534 20 0 EHADHM Cc1nc(-c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)co1 ZINC000436888101 1021341452 /nfs/dbraw/zinc/34/14/52/1021341452.db2.gz ZZYQTGXUQNJGAX-UHFFFAOYSA-N -1 3 349.346 3.985 20 0 EHADHM Cc1ccc(-c2nc(Cc3ccccc3OC(F)F)no2)c([O-])c1 ZINC000436889972 1021343227 /nfs/dbraw/zinc/34/32/27/1021343227.db2.gz APNZDPYTYAXHOP-UHFFFAOYSA-N -1 3 332.306 3.943 20 0 EHADHM CCSCc1cc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)no1 ZINC000436906046 1021350315 /nfs/dbraw/zinc/35/03/15/1021350315.db2.gz AKSHNMQRTRUUSG-UHFFFAOYSA-N -1 3 346.330 3.904 20 0 EHADHM CC(C)c1ccc(C(=O)N2CC[C@]3(C2)OCc2ccccc23)c([O-])c1 ZINC000436909803 1021354398 /nfs/dbraw/zinc/35/43/98/1021354398.db2.gz ZMSKIBYKSRZWBM-OAQYLSRUSA-N -1 3 337.419 3.787 20 0 EHADHM COc1cc(-c2noc(-c3ccccc3[O-])n2)ccc1OC(F)F ZINC000436897879 1021360476 /nfs/dbraw/zinc/36/04/76/1021360476.db2.gz VAOHHMDIYJAROW-UHFFFAOYSA-N -1 3 334.278 3.719 20 0 EHADHM CCCCCN(CCO)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436898879 1021363969 /nfs/dbraw/zinc/36/39/69/1021363969.db2.gz AUXUDFXLSPPKHU-UHFFFAOYSA-N -1 3 343.423 3.809 20 0 EHADHM O=C(NCc1ccc([O-])c(F)c1)NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000439361708 1021389279 /nfs/dbraw/zinc/38/92/79/1021389279.db2.gz TXCJEMHYJLIGRS-JQWIXIFHSA-N -1 3 348.340 3.699 20 0 EHADHM O=C(Nc1ccc(Br)cc1[O-])c1cccc2c1CCC2 ZINC000516710362 1021673942 /nfs/dbraw/zinc/67/39/42/1021673942.db2.gz KXLDSDBXQACOSZ-UHFFFAOYSA-N -1 3 332.197 3.896 20 0 EHADHM CCC(CC)(C(=O)Nc1cccc(C(C)=O)c1[O-])C(=O)OC(C)(C)C ZINC000593706868 1033010367 /nfs/dbraw/zinc/01/03/67/1033010367.db2.gz HVJOREZCFQKXCZ-UHFFFAOYSA-N -1 3 349.427 3.681 20 0 EHADHM CCOC(=O)c1sc([N-]C(=O)c2cc(C3CC3)no2)nc1C(C)C ZINC000441068772 1021965432 /nfs/dbraw/zinc/96/54/32/1021965432.db2.gz DLEVWMRBMAGKJA-UHFFFAOYSA-N -1 3 349.412 3.561 20 0 EHADHM COC(=O)c1ccc(-c2nc([C@@H](c3ccccc3C)C(C)C)no2)[n-]1 ZINC000426613452 1022036125 /nfs/dbraw/zinc/03/61/25/1022036125.db2.gz SNPMXCGUMICWBX-MRXNPFEDSA-N -1 3 339.395 3.948 20 0 EHADHM C[C@H]1CC[C@@](CNCc2csc(-c3ccccn3)n2)(CC(=O)[O-])C1 ZINC000426632133 1022094143 /nfs/dbraw/zinc/09/41/43/1022094143.db2.gz SMKIOFUOTQVLDQ-UGSOOPFHSA-N -1 3 345.468 3.576 20 0 EHADHM Cc1cc(S(=O)(=O)[N-]C(C)(C)c2cccs2)c(F)cc1F ZINC000440395341 1022162811 /nfs/dbraw/zinc/16/28/11/1022162811.db2.gz CDPLIMOWLAOREZ-UHFFFAOYSA-N -1 3 331.409 3.548 20 0 EHADHM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NCc1ncccc1[O-] ZINC000473635738 1022276809 /nfs/dbraw/zinc/27/68/09/1022276809.db2.gz MBUGHCSCXSSUQR-JTQLQIEISA-N -1 3 339.222 3.589 20 0 EHADHM Cc1csc([C@H](NC(=O)CCCc2ccc([O-])c(F)c2)C2CC2)n1 ZINC000346005526 1022280734 /nfs/dbraw/zinc/28/07/34/1022280734.db2.gz MESSSGCAUGDHKN-QGZVFWFLSA-N -1 3 348.443 3.886 20 0 EHADHM Cc1ccc(C)c(OCCN2[C@@H](C(=O)[O-])CC[C@H]2c2ccccc2)c1 ZINC000517394096 1022301503 /nfs/dbraw/zinc/30/15/03/1022301503.db2.gz ATOWJVGABGMVLD-RBUKOAKNSA-N -1 3 339.435 3.973 20 0 EHADHM O=C([O-])[C@@H](CCCNCc1c(F)cccc1F)Cc1ccccc1 ZINC000426656639 1022332636 /nfs/dbraw/zinc/33/26/36/1022332636.db2.gz JFMAWEUYOSLTKB-HNNXBMFYSA-N -1 3 333.378 3.778 20 0 EHADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H]3CCc4ccccc43)nc2)n1 ZINC000110595759 1022350634 /nfs/dbraw/zinc/35/06/34/1022350634.db2.gz CYKSTOQBUHZJAG-OAHLLOKOSA-N -1 3 346.434 3.536 20 0 EHADHM C[C@@H]1CCCCN([C@@H](C(=O)[O-])c2ccc(Br)cc2F)C1 ZINC000517576650 1022457283 /nfs/dbraw/zinc/45/72/83/1022457283.db2.gz XFCIIHOVNYGMLD-QMTHXVAHSA-N -1 3 344.224 3.836 20 0 EHADHM Cc1cc(C)cc(CC[N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000303795577 1022507402 /nfs/dbraw/zinc/50/74/02/1022507402.db2.gz FXKZDCBNLPGPJJ-UHFFFAOYSA-N -1 3 341.835 3.617 20 0 EHADHM Cc1ccc(Cl)c([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)c1 ZINC000330568649 1022619905 /nfs/dbraw/zinc/61/99/05/1022619905.db2.gz BZNJLMPOOVAQNE-UHFFFAOYSA-N -1 3 342.848 3.876 20 0 EHADHM CCC[C@H]1C[C@@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CCO1 ZINC000330785696 1022687086 /nfs/dbraw/zinc/68/70/86/1022687086.db2.gz UNAISHLVMXYURM-JQWIXIFHSA-N -1 3 331.334 3.945 20 0 EHADHM O=C(CCC(=O)c1ccc(F)c(F)c1)Nc1cc(Cl)ccc1[O-] ZINC000088304927 1022750031 /nfs/dbraw/zinc/75/00/31/1022750031.db2.gz ZOTBHNBISQXACW-UHFFFAOYSA-N -1 3 339.725 3.925 20 0 EHADHM COC[C@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccccc1 ZINC000341643400 1022759234 /nfs/dbraw/zinc/75/92/34/1022759234.db2.gz VJGZXSUFWVAOPQ-HNNXBMFYSA-N -1 3 349.390 3.559 20 0 EHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)cc1O ZINC000438763991 1022970166 /nfs/dbraw/zinc/97/01/66/1022970166.db2.gz CYJHKTIUVSINAH-UHFFFAOYSA-N -1 3 335.425 3.536 20 0 EHADHM Cc1cccc([C@H](NCc2cccc3c2OC(C)(C)C3)C(=O)[O-])c1C ZINC000426723566 1022990430 /nfs/dbraw/zinc/99/04/30/1022990430.db2.gz ZMOLSDVNHWRHQS-SFHVURJKSA-N -1 3 339.435 3.932 20 0 EHADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)C1=Cc2ccccc2OC1 ZINC000473594667 1023003328 /nfs/dbraw/zinc/00/33/28/1023003328.db2.gz VPMSNWGXPUTTTK-UHFFFAOYSA-N -1 3 335.281 3.826 20 0 EHADHM Cc1cc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)ccc1F ZINC000426758851 1023028494 /nfs/dbraw/zinc/02/84/94/1023028494.db2.gz JRUNSXOYPZGFPN-HNNXBMFYSA-N -1 3 325.742 3.842 20 0 EHADHM O=C([O-])[C@@H](NCc1ccc(Br)c(F)c1)c1cccs1 ZINC000426779575 1023041130 /nfs/dbraw/zinc/04/11/30/1023041130.db2.gz JEFLDEDSVLZYPE-LBPRGKRZSA-N -1 3 344.205 3.565 20 0 EHADHM O=C([O-])[C@@H](NCc1cccc(OC(F)(F)F)c1)c1ccc(F)cc1 ZINC000426809118 1023060582 /nfs/dbraw/zinc/06/05/82/1023060582.db2.gz CAWOKZLCSDAWDJ-AWEZNQCLSA-N -1 3 343.276 3.640 20 0 EHADHM CCc1ccc([C@@H](NCc2cccc(OC(F)F)c2)C(=O)[O-])cc1 ZINC000426826147 1023069479 /nfs/dbraw/zinc/06/94/79/1023069479.db2.gz NUEXPVBHDBGVGF-MRXNPFEDSA-N -1 3 335.350 3.766 20 0 EHADHM CCOC(=O)[C@@H](NCc1cc([O-])cc(F)c1)c1cccc(C)c1C ZINC000189663949 1023076410 /nfs/dbraw/zinc/07/64/10/1023076410.db2.gz SRBPCHTVJLZJKE-SFHVURJKSA-N -1 3 331.387 3.542 20 0 EHADHM Cc1ccccc1[C@]1(F)CCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000507200233 1023176648 /nfs/dbraw/zinc/17/66/48/1023176648.db2.gz BTOKZTSJQBMEFV-IBGZPJMESA-N -1 3 346.377 3.620 20 0 EHADHM C[C@H]1C[C@@]1(NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000507207741 1023181738 /nfs/dbraw/zinc/18/17/38/1023181738.db2.gz PRWJUJUISUVUTJ-VOJFVSQTSA-N -1 3 348.805 3.919 20 0 EHADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccccc1Nc1ccccc1 ZINC000473854871 1023224964 /nfs/dbraw/zinc/22/49/64/1023224964.db2.gz GXTNHAHWMLWDBM-SFHVURJKSA-N -1 3 348.406 3.679 20 0 EHADHM Cc1ccccc1-c1cc(=NC(=O)c2cccc([C@H]3CCOC3)c2)[nH][n-]1 ZINC000535663102 1023333432 /nfs/dbraw/zinc/33/34/32/1023333432.db2.gz XFNGCMPRNAGKPT-KRWDZBQOSA-N -1 3 347.418 3.563 20 0 EHADHM CCc1cc(=O)[n-]c(CSCc2nc(-c3ccccc3C)no2)n1 ZINC000610783063 1023510930 /nfs/dbraw/zinc/51/09/30/1023510930.db2.gz ZMCYUEDCMLFLJA-UHFFFAOYSA-N -1 3 342.424 3.536 20 0 EHADHM COc1cc(-c2ccccc2)sc1C(=O)Nc1ncccc1[O-] ZINC000341881315 1023528308 /nfs/dbraw/zinc/52/83/08/1023528308.db2.gz AQDJYTPCXXMNOY-UHFFFAOYSA-N -1 3 326.377 3.777 20 0 EHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)[C@@H]1Cc2ccc(F)cc21 ZINC000684604600 1023691310 /nfs/dbraw/zinc/69/13/10/1023691310.db2.gz ZWYHLNODKXXUTL-CQSZACIVSA-N -1 3 348.337 3.635 20 0 EHADHM O=C([O-])C[C@@H](NCc1ccc(OC(F)F)cc1)c1ccsc1 ZINC000277107987 1023769073 /nfs/dbraw/zinc/76/90/73/1023769073.db2.gz ZZSMEFZZZUYCDV-CYBMUJFWSA-N -1 3 327.352 3.655 20 0 EHADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(C)c(C)c2)cc1OC ZINC000277111674 1023771480 /nfs/dbraw/zinc/77/14/80/1023771480.db2.gz AKHDGEMRSQBWQH-KRWDZBQOSA-N -1 3 343.423 3.626 20 0 EHADHM CC(=O)c1cccc(NC(=O)c2sc(C)nc2CC(C)C)c1[O-] ZINC000574480420 1033167322 /nfs/dbraw/zinc/16/73/22/1033167322.db2.gz WEHNAALCVYDXBW-UHFFFAOYSA-N -1 3 332.425 3.811 20 0 EHADHM CC(=O)c1ccc(C(=O)N2CCCCC[C@@H]2c2ccncc2)cc1[O-] ZINC000665337003 1023968107 /nfs/dbraw/zinc/96/81/07/1023968107.db2.gz SNTAFZIDEZQUGJ-GOSISDBHSA-N -1 3 338.407 3.747 20 0 EHADHM Cc1nc(C)c(C(=O)[N-]c2c(F)cc(Br)cc2F)o1 ZINC000093733032 1024020071 /nfs/dbraw/zinc/02/00/71/1024020071.db2.gz PAOWRQPEJCOOSA-UHFFFAOYSA-N -1 3 331.116 3.584 20 0 EHADHM C[C@@H](C(=O)[O-])[C@@H](NCc1cnc(C2CCC2)s1)c1ccccc1 ZINC000417561985 1024054114 /nfs/dbraw/zinc/05/41/14/1024054114.db2.gz LRZPQNRXCFFEST-MLGOLLRUSA-N -1 3 330.453 3.962 20 0 EHADHM C[C@@H]1CCc2onc(C(=O)[N-]c3cc(Cl)cc(F)c3F)c2C1 ZINC000441581563 1024116733 /nfs/dbraw/zinc/11/67/33/1024116733.db2.gz MXSPPNQELZAOPX-SSDOTTSWSA-N -1 3 326.730 3.983 20 0 EHADHM Cc1ccccc1-c1cc(=NC(=O)c2cnc(C(C)C)s2)[nH][n-]1 ZINC000342185507 1024346096 /nfs/dbraw/zinc/34/60/96/1024346096.db2.gz WJXMNXLWVLRIJX-UHFFFAOYSA-N -1 3 326.425 3.639 20 0 EHADHM C[C@H](Oc1ccc(C(=O)Nc2ncccc2[O-])cn1)c1ccccc1 ZINC000514573268 1024562139 /nfs/dbraw/zinc/56/21/39/1024562139.db2.gz 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ZINC000157130140 1024777226 /nfs/dbraw/zinc/77/72/26/1024777226.db2.gz SZPNALMRUHWOGJ-UHFFFAOYSA-N -1 3 345.830 3.604 20 0 EHADHM CN(Cc1cccc2[nH]ccc21)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000427957547 1024905214 /nfs/dbraw/zinc/90/52/14/1024905214.db2.gz KMORNDYSQOPKLW-UHFFFAOYSA-N -1 3 340.398 3.994 20 0 EHADHM O=C(Nc1cccc(Oc2cccc(C(F)(F)F)c2)c1)c1cnn[n-]1 ZINC000428007486 1024934673 /nfs/dbraw/zinc/93/46/73/1024934673.db2.gz WOBSKJFRNVVWHE-UHFFFAOYSA-N -1 3 348.284 3.868 20 0 EHADHM O=C(Nc1cccc(Oc2cccc(C(F)(F)F)c2)c1)c1c[n-]nn1 ZINC000428007486 1024934681 /nfs/dbraw/zinc/93/46/81/1024934681.db2.gz WOBSKJFRNVVWHE-UHFFFAOYSA-N -1 3 348.284 3.868 20 0 EHADHM O=C(Nc1cccc(Oc2cccc(C(F)(F)F)c2)c1)c1cn[n-]n1 ZINC000428007486 1024934690 /nfs/dbraw/zinc/93/46/90/1024934690.db2.gz WOBSKJFRNVVWHE-UHFFFAOYSA-N -1 3 348.284 3.868 20 0 EHADHM COCCOc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000469272775 1024972823 /nfs/dbraw/zinc/97/28/23/1024972823.db2.gz XWTKORGVSLOXDE-UHFFFAOYSA-N -1 3 347.386 3.518 20 0 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SXTMJCKKQSTVAR-UHFFFAOYSA-N -1 3 325.372 3.833 20 0 EHADHM CCOCCN(C(=O)c1ccc(C)cc1[O-])[C@H]1CCc2ccccc21 ZINC001171415429 1137476071 /nfs/dbraw/zinc/47/60/71/1137476071.db2.gz WJVQPGDHTRDJPM-IBGZPJMESA-N -1 3 339.435 3.867 20 0 EHADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)[N-]OCCCC(F)(F)F ZINC000871211135 1137527140 /nfs/dbraw/zinc/52/71/40/1137527140.db2.gz LCYKZYOSDPWJCZ-ZDUSSCGKSA-N -1 3 345.361 3.896 20 0 EHADHM C[C@H](NCc1ccc(N2CCCC2=O)cc1)c1cccc([O-])c1F ZINC000872018290 1137564950 /nfs/dbraw/zinc/56/49/50/1137564950.db2.gz KAEYXNQLHAXQNJ-ZDUSSCGKSA-N -1 3 328.387 3.509 20 0 EHADHM C[C@@H](N[C@@H](CO)c1ccc(C(F)(F)F)cc1)c1cccc([O-])c1F ZINC000872051565 1137568050 /nfs/dbraw/zinc/56/80/50/1137568050.db2.gz LIKGRVBUVQJPKF-YGRLFVJLSA-N -1 3 343.320 3.934 20 0 EHADHM Cc1noc(C[C@H](N[C@H](C)c2cccc([O-])c2F)c2ccccc2)n1 ZINC000872065407 1137569154 /nfs/dbraw/zinc/56/91/54/1137569154.db2.gz ANVKCCLQTNAUCP-WBMJQRKESA-N -1 3 341.386 3.857 20 0 EHADHM O=C([O-])[C@]1(c2ccccc2)CCN(Cc2cc(C(F)(F)F)co2)C1 ZINC000872160719 1137574474 /nfs/dbraw/zinc/57/44/74/1137574474.db2.gz MNCBKCBAGMOENQ-MRXNPFEDSA-N -1 3 339.313 3.527 20 0 EHADHM Cc1cccc2c1N(C(=O)c1c[n-]c3c(Cl)cccc3c1=O)CC2 ZINC001137058234 1137578667 /nfs/dbraw/zinc/57/86/67/1137578667.db2.gz IONPYBIRVPGRDR-UHFFFAOYSA-N -1 3 338.794 3.693 20 0 EHADHM CCC(C)(C)CCS(=O)(=O)[N-]c1cnn(C2CCCC2)c1C ZINC000872365748 1137578881 /nfs/dbraw/zinc/57/88/81/1137578881.db2.gz DZCUKFKNCQVMQE-UHFFFAOYSA-N -1 3 327.494 3.875 20 0 EHADHM O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1cc([O-])cc(Br)c1 ZINC001137069035 1137592502 /nfs/dbraw/zinc/59/25/02/1137592502.db2.gz RGMRZCHQBDGYOE-LSDHHAIUSA-N -1 3 338.245 3.853 20 0 EHADHM CS[C@H]1CC[C@@H](NC(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC001137116037 1137669720 /nfs/dbraw/zinc/66/97/20/1137669720.db2.gz OGYONYSCAQYEKZ-SJORKVTESA-N -1 3 341.476 3.997 20 0 EHADHM CCOc1cc([C@H]2NC(=O)c3ccc(C)cc3N2)cc(Cl)c1[O-] ZINC000877863656 1137694018 /nfs/dbraw/zinc/69/40/18/1137694018.db2.gz JVWUANMCGYMWLS-MRXNPFEDSA-N -1 3 332.787 3.607 20 0 EHADHM [O-]c1ccccc1-c1nnc(CN2CCC[C@H]2c2ccc(F)cc2)o1 ZINC000877914932 1137695375 /nfs/dbraw/zinc/69/53/75/1137695375.db2.gz KKYVZUZJVYMSKA-INIZCTEOSA-N -1 3 339.370 3.918 20 0 EHADHM CN(CCCCc1ccccc1)Cc1nnc(-c2ccccc2[O-])o1 ZINC000877972042 1137697578 /nfs/dbraw/zinc/69/75/78/1137697578.db2.gz ULTWDUXINDVFMV-UHFFFAOYSA-N -1 3 337.423 3.897 20 0 EHADHM O=C([N-]c1nc(Cc2ccccc2)ns1)c1ncsc1C1CC1 ZINC000878768661 1137727585 /nfs/dbraw/zinc/72/75/85/1137727585.db2.gz JLOHDKMWFMFUDH-UHFFFAOYSA-N -1 3 342.449 3.715 20 0 EHADHM O=c1nc(CN2CCC[C@H](CF)C2)[n-]c2scc(-c3ccco3)c21 ZINC000880233193 1137771681 /nfs/dbraw/zinc/77/16/81/1137771681.db2.gz ISOLOMRIYDQOTC-LLVKDONJSA-N -1 3 347.415 3.838 20 0 EHADHM Cc1ccc(CC(=O)[N-]OCc2ncc(-c3ccc(C)cc3)o2)cc1 ZINC000131377306 1137851920 /nfs/dbraw/zinc/85/19/20/1137851920.db2.gz BXVJWJDEZXJBPN-UHFFFAOYSA-N -1 3 336.391 3.749 20 0 EHADHM CC(=O)c1ccc(C(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)cc1[O-] ZINC000331926199 1137925720 /nfs/dbraw/zinc/92/57/20/1137925720.db2.gz PAHIJCKNZIWLLS-MLGOLLRUSA-N -1 3 327.380 3.801 20 0 EHADHM CCc1ccc(C(=O)N2CCCC[C@H]2c2nnc(C(C)C)[nH]2)c([O-])c1 ZINC000332004460 1137928369 /nfs/dbraw/zinc/92/83/69/1137928369.db2.gz WMUCIEDNASYGBH-HNNXBMFYSA-N -1 3 342.443 3.564 20 0 EHADHM CCc1cc2c(CNC(C)(C)c3nccs3)cc(=O)oc2cc1[O-] ZINC000118847657 1137935986 /nfs/dbraw/zinc/93/59/86/1137935986.db2.gz BLWKQTWWTOJLMS-UHFFFAOYSA-N -1 3 344.436 3.542 20 0 EHADHM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cccc(C)c1[O-] ZINC000078355491 1138148928 /nfs/dbraw/zinc/14/89/28/1138148928.db2.gz CXBVRAJMRSONSI-UHFFFAOYSA-N -1 3 326.396 3.856 20 0 EHADHM CCc1cc2c(CN(C)[C@@H](C)c3ccncc3)cc(=O)oc2cc1[O-] ZINC000091988970 1138223981 /nfs/dbraw/zinc/22/39/81/1138223981.db2.gz RRIOOTYWJNTOEG-ZDUSSCGKSA-N -1 3 338.407 3.649 20 0 EHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)c1 ZINC000122970251 1138264687 /nfs/dbraw/zinc/26/46/87/1138264687.db2.gz SUNHTASBKAYICL-BLLLJJGKSA-N -1 3 342.395 3.557 20 0 EHADHM CCc1cc(=O)[n-]c(CSCc2csc(-c3ccccn3)n2)n1 ZINC000125627524 1138313307 /nfs/dbraw/zinc/31/33/07/1138313307.db2.gz YSPOTODHTGSPOU-UHFFFAOYSA-N -1 3 344.465 3.697 20 0 EHADHM CCc1nnc([N-]C(=O)c2csc(CCc3ccccc3)n2)s1 ZINC000337253738 1138509540 /nfs/dbraw/zinc/50/95/40/1138509540.db2.gz PVZYBQUAGQQJNS-UHFFFAOYSA-N -1 3 344.465 3.595 20 0 EHADHM CN(Cc1ccc(F)cc1Cl)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000337306403 1138526537 /nfs/dbraw/zinc/52/65/37/1138526537.db2.gz VFSAELGVWNHHJB-UHFFFAOYSA-N -1 3 344.773 3.593 20 0 EHADHM Cc1nc(-c2ccc(N[C@@H](C)c3ccncc3F)nc2)[n-]c(=O)c1C ZINC000337882741 1138690352 /nfs/dbraw/zinc/69/03/52/1138690352.db2.gz ZJMJTPMHJIIBIR-LBPRGKRZSA-N -1 3 339.374 3.568 20 0 EHADHM COC(=O)c1ccc(F)c([N-]C(=O)c2coc(C3CCCC3)n2)c1 ZINC000337895539 1138693272 /nfs/dbraw/zinc/69/32/72/1138693272.db2.gz LBOYSGGEPSJTQN-UHFFFAOYSA-N -1 3 332.331 3.510 20 0 EHADHM CC(C)([N-]C(=O)C(F)(F)c1cccc(Cl)c1)c1nccs1 ZINC000265262988 1138787608 /nfs/dbraw/zinc/78/76/08/1138787608.db2.gz JMTTUKSFLCBGIX-UHFFFAOYSA-N -1 3 330.787 3.940 20 0 EHADHM C[C@H](CC(=O)[N-]OCc1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000152574588 1139098955 /nfs/dbraw/zinc/09/89/55/1139098955.db2.gz VFHWJTBSQKWPOL-GFCCVEGCSA-N -1 3 338.329 3.842 20 0 EHADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC(c2cccc(F)c2)CC1 ZINC000826672130 1139295362 /nfs/dbraw/zinc/29/53/62/1139295362.db2.gz XMQBZPNZPXTEER-UHFFFAOYSA-N -1 3 331.362 3.619 20 0 EHADHM O=C(Nc1ccc(Cl)cc1[O-])C1(c2ccc(F)cc2)CCOCC1 ZINC000179639149 1139771522 /nfs/dbraw/zinc/77/15/22/1139771522.db2.gz JLPMFIIOIZQRCH-UHFFFAOYSA-N -1 3 349.789 3.872 20 0 EHADHM Cc1cc(C)c(NC(=O)CN(C)Cc2cc([O-])cc(F)c2)c(C)c1 ZINC000186185210 1140190784 /nfs/dbraw/zinc/19/07/84/1140190784.db2.gz NUAVQNRBNZMOEF-UHFFFAOYSA-N -1 3 330.403 3.527 20 0 EHADHM CC(C)c1c(NC([O-])=NO[C@@H]2CCCCO2)cnn1-c1ccccc1 ZINC000192343711 1140524608 /nfs/dbraw/zinc/52/46/08/1140524608.db2.gz CRTKEGLDXAJXRV-MRXNPFEDSA-N -1 3 344.415 3.575 20 0 EHADHM CC(C)c1c(NC(=O)[N-]O[C@@H]2CCCCO2)cnn1-c1ccccc1 ZINC000192343711 1140524612 /nfs/dbraw/zinc/52/46/12/1140524612.db2.gz CRTKEGLDXAJXRV-MRXNPFEDSA-N -1 3 344.415 3.575 20 0 EHADHM CCOc1ccc([C@@H](C)N[C@H](C)c2nc(C)cc(=O)[n-]2)cc1OCC ZINC000192720958 1140546919 /nfs/dbraw/zinc/54/69/19/1140546919.db2.gz CWKDBFQPHCKPFV-ZIAGYGMSSA-N -1 3 345.443 3.700 20 0 EHADHM C[C@H]1CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C[C@H]1C ZINC000267820980 1140838740 /nfs/dbraw/zinc/83/87/40/1140838740.db2.gz OUXXZDFEBJATRG-PHIMTYICSA-N -1 3 329.425 3.745 20 0 EHADHM CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000268925211 1141025765 /nfs/dbraw/zinc/02/57/65/1141025765.db2.gz VVGDTLUCXCOXDD-ZWKOTPCHSA-N -1 3 342.439 3.606 20 0 EHADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2ccc(Br)cn2)n1 ZINC000269052167 1141055820 /nfs/dbraw/zinc/05/58/20/1141055820.db2.gz NZGOLAUBBNJKDE-MRVPVSSYSA-N -1 3 326.219 3.501 20 0 EHADHM COc1cc(C(=O)N(C)[C@@H](C)c2ccccc2C)cc(OC)c1[O-] ZINC000271002526 1141292182 /nfs/dbraw/zinc/29/21/82/1141292182.db2.gz LGPCMXXOWGPQGY-ZDUSSCGKSA-N -1 3 329.396 3.551 20 0 EHADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cccc(C2SCCS2)c1 ZINC000274159935 1141480845 /nfs/dbraw/zinc/48/08/45/1141480845.db2.gz HEYPKJMJJOZFOF-CYBMUJFWSA-N -1 3 340.470 3.745 20 0 EHADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cccc(C2SCCS2)c1 ZINC000274159935 1141480849 /nfs/dbraw/zinc/48/08/49/1141480849.db2.gz HEYPKJMJJOZFOF-CYBMUJFWSA-N -1 3 340.470 3.745 20 0 EHADHM [O-]c1cccc(CNCc2ccc(-n3ccnc3)c(F)c2)c1Cl ZINC000339203886 1141527223 /nfs/dbraw/zinc/52/72/23/1141527223.db2.gz MFFYJYCUOWKZJS-UHFFFAOYSA-N -1 3 331.778 3.660 20 0 EHADHM CC(C)c1cc(NC(=O)c2c[n-]nc2-c2ccc(Cl)cc2)n[nH]1 ZINC000078480441 217058680 /nfs/dbraw/zinc/05/86/80/217058680.db2.gz VQDDHXHXXBLPCV-UHFFFAOYSA-N -1 3 329.791 3.829 20 0 EHADHM c1ccc(-c2ccc(-c3nnn[n-]3)c(SCc3cccnc3)n2)cc1 ZINC000738422403 598901209 /nfs/dbraw/zinc/90/12/09/598901209.db2.gz XTYRWLOXTFEEFV-UHFFFAOYSA-N -1 3 346.419 3.616 20 0 EHADHM c1ccc(-c2ccc(-c3nn[n-]n3)c(SCc3cccnc3)n2)cc1 ZINC000738422403 598901211 /nfs/dbraw/zinc/90/12/11/598901211.db2.gz XTYRWLOXTFEEFV-UHFFFAOYSA-N -1 3 346.419 3.616 20 0 EHADHM FC(F)(F)CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000737628504 598902295 /nfs/dbraw/zinc/90/22/95/598902295.db2.gz WCJHINSOSPIVPE-UHFFFAOYSA-N -1 3 337.330 3.583 20 0 EHADHM FC(F)(F)CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000737628504 598902297 /nfs/dbraw/zinc/90/22/97/598902297.db2.gz WCJHINSOSPIVPE-UHFFFAOYSA-N -1 3 337.330 3.583 20 0 EHADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)C(C)(C)C ZINC000735828867 599015286 /nfs/dbraw/zinc/01/52/86/599015286.db2.gz AFLOOEMAFBPVGW-CQSZACIVSA-N -1 3 343.475 3.534 20 0 EHADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](C)C(C)(C)C ZINC000735828867 599015288 /nfs/dbraw/zinc/01/52/88/599015288.db2.gz AFLOOEMAFBPVGW-CQSZACIVSA-N -1 3 343.475 3.534 20 0 EHADHM CCC1CCC(Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000736394679 599046092 /nfs/dbraw/zinc/04/60/92/599046092.db2.gz DIOXSMOAVWJXNG-UHFFFAOYSA-N -1 3 340.353 3.661 20 0 EHADHM CCC1CCC(Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000736394679 599046095 /nfs/dbraw/zinc/04/60/95/599046095.db2.gz DIOXSMOAVWJXNG-UHFFFAOYSA-N -1 3 340.353 3.661 20 0 EHADHM C[C@H]1C[C@H](c2ccccc2)CN1c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000736235675 599060273 /nfs/dbraw/zinc/06/02/73/599060273.db2.gz PIIFNTNHLQSDHG-FZMZJTMJSA-N -1 3 341.365 3.527 20 0 EHADHM C[C@H]1C[C@H](c2ccccc2)CN1c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000736235675 599060274 /nfs/dbraw/zinc/06/02/74/599060274.db2.gz PIIFNTNHLQSDHG-FZMZJTMJSA-N -1 3 341.365 3.527 20 0 EHADHM C[C@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)Oc1ccc(F)cc1 ZINC000820276808 599069617 /nfs/dbraw/zinc/06/96/17/599069617.db2.gz ZYTWAGIGCDUHGP-SNVBAGLBSA-N -1 3 347.781 3.539 20 0 EHADHM C[C@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)Oc1ccc(F)cc1 ZINC000820276808 599069619 /nfs/dbraw/zinc/06/96/19/599069619.db2.gz ZYTWAGIGCDUHGP-SNVBAGLBSA-N -1 3 347.781 3.539 20 0 EHADHM C[C@@H](COCc1ccccc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820286357 599080182 /nfs/dbraw/zinc/08/01/82/599080182.db2.gz ANSGCQUJEWINDQ-LBPRGKRZSA-N -1 3 343.818 3.537 20 0 EHADHM C[C@@H](COCc1ccccc1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820286357 599080186 /nfs/dbraw/zinc/08/01/86/599080186.db2.gz ANSGCQUJEWINDQ-LBPRGKRZSA-N -1 3 343.818 3.537 20 0 EHADHM COc1ccccc1[C@@H](C)SCc1ccc(-c2nnn[n-]2)cc1 ZINC000821882830 599128182 /nfs/dbraw/zinc/12/81/82/599128182.db2.gz LRPGWUGNLWZHPU-GFCCVEGCSA-N -1 3 326.425 3.870 20 0 EHADHM COc1ccccc1[C@@H](C)SCc1ccc(-c2nn[n-]n2)cc1 ZINC000821882830 599128185 /nfs/dbraw/zinc/12/81/85/599128185.db2.gz LRPGWUGNLWZHPU-GFCCVEGCSA-N -1 3 326.425 3.870 20 0 EHADHM CCCCCC[C@@H](C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC000736446248 599184823 /nfs/dbraw/zinc/18/48/23/599184823.db2.gz ORAJJFYMNRSIIG-CYBMUJFWSA-N -1 3 345.447 3.810 20 0 EHADHM CCCCCC[C@@H](C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC000736446248 599184825 /nfs/dbraw/zinc/18/48/25/599184825.db2.gz ORAJJFYMNRSIIG-CYBMUJFWSA-N -1 3 345.447 3.810 20 0 EHADHM Cc1c(NC(=O)c2cc3ccccc3s2)cccc1-c1nnn[n-]1 ZINC000822109324 607269990 /nfs/dbraw/zinc/26/99/90/607269990.db2.gz QIXSOUFPXQMRTJ-UHFFFAOYSA-N -1 3 335.392 3.642 20 0 EHADHM Cc1c(NC(=O)c2cc3ccccc3s2)cccc1-c1nn[n-]n1 ZINC000822109324 607269991 /nfs/dbraw/zinc/26/99/91/607269991.db2.gz QIXSOUFPXQMRTJ-UHFFFAOYSA-N -1 3 335.392 3.642 20 0 EHADHM C[C@H](SCCOc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188280 599284794 /nfs/dbraw/zinc/28/47/94/599284794.db2.gz KBGQCPWKCYLFFC-ZDUSSCGKSA-N -1 3 326.425 3.740 20 0 EHADHM C[C@H](SCCOc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188280 599284799 /nfs/dbraw/zinc/28/47/99/599284799.db2.gz KBGQCPWKCYLFFC-ZDUSSCGKSA-N -1 3 326.425 3.740 20 0 EHADHM CCC(CC)n1ccc(CSc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000820902822 607327305 /nfs/dbraw/zinc/32/73/05/607327305.db2.gz OEGDXXTUTQMNKK-UHFFFAOYSA-N -1 3 346.435 3.856 20 0 EHADHM CCC(CC)n1ccc(CSc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000820902822 607327306 /nfs/dbraw/zinc/32/73/06/607327306.db2.gz OEGDXXTUTQMNKK-UHFFFAOYSA-N -1 3 346.435 3.856 20 0 EHADHM Fc1ccc(CNc2ccc(C(F)(F)F)c(-c3nnn[n-]3)c2)cc1 ZINC000822771458 607345250 /nfs/dbraw/zinc/34/52/50/607345250.db2.gz HYORYKOGECVFBQ-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Fc1ccc(CNc2ccc(C(F)(F)F)c(-c3nn[n-]n3)c2)cc1 ZINC000822771458 607345251 /nfs/dbraw/zinc/34/52/51/607345251.db2.gz HYORYKOGECVFBQ-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM C[C@@H](OCCCNc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000736164420 598235624 /nfs/dbraw/zinc/23/56/24/598235624.db2.gz OLPUXFKYFJKLEY-CYBMUJFWSA-N -1 3 341.390 3.586 20 0 EHADHM COc1ccc2cc(CNc3ccc(-c4nn[n-]n4)cc3F)ccc2c1 ZINC000737120681 598235891 /nfs/dbraw/zinc/23/58/91/598235891.db2.gz RGFNLJHRYYPBCH-UHFFFAOYSA-N -1 3 349.369 3.780 20 0 EHADHM Cc1ccc(OCCCCNc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737365681 598239444 /nfs/dbraw/zinc/23/94/44/598239444.db2.gz LTJBFJFEGKMLBC-UHFFFAOYSA-N -1 3 341.390 3.585 20 0 EHADHM FC(F)c1nc2ccccc2c(Oc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737640425 598274697 /nfs/dbraw/zinc/27/46/97/598274697.db2.gz WJGOXKNTEYFMBB-UHFFFAOYSA-N -1 3 340.293 3.540 20 0 EHADHM FC(F)c1nc2ccccc2c(Oc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737640425 598274699 /nfs/dbraw/zinc/27/46/99/598274699.db2.gz WJGOXKNTEYFMBB-UHFFFAOYSA-N -1 3 340.293 3.540 20 0 EHADHM C[C@@H]1CCC[C@H](CC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)C1 ZINC000736252213 598490199 /nfs/dbraw/zinc/49/01/99/598490199.db2.gz PYZSPHRSLHIGQB-OLZOCXBDSA-N -1 3 344.463 3.578 20 0 EHADHM C[C@@H]1CCC[C@H](CC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)C1 ZINC000736252213 598490201 /nfs/dbraw/zinc/49/02/01/598490201.db2.gz PYZSPHRSLHIGQB-OLZOCXBDSA-N -1 3 344.463 3.578 20 0 EHADHM CCCC[C@@H]1CCC[C@H]1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736442343 598513460 /nfs/dbraw/zinc/51/34/60/598513460.db2.gz WNZXIGZZLNYDRK-TZMCWYRMSA-N -1 3 344.488 3.512 20 0 EHADHM CCCC[C@@H]1CCC[C@H]1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736442343 598513462 /nfs/dbraw/zinc/51/34/62/598513462.db2.gz WNZXIGZZLNYDRK-TZMCWYRMSA-N -1 3 344.488 3.512 20 0 EHADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc2sccc2s1 ZINC000738167287 598585634 /nfs/dbraw/zinc/58/56/34/598585634.db2.gz QOTWTJVXBVPHNA-UHFFFAOYSA-N -1 3 345.384 3.534 20 0 EHADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc2sccc2s1 ZINC000738167287 598585635 /nfs/dbraw/zinc/58/56/35/598585635.db2.gz QOTWTJVXBVPHNA-UHFFFAOYSA-N -1 3 345.384 3.534 20 0 EHADHM C[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000736134274 598635892 /nfs/dbraw/zinc/63/58/92/598635892.db2.gz AJMJVGSSRAMMMZ-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000736134274 598635894 /nfs/dbraw/zinc/63/58/94/598635894.db2.gz AJMJVGSSRAMMMZ-QMMMGPOBSA-N -1 3 335.745 3.971 20 0 EHADHM Fc1ccc(COc2cc(Cl)ccc2Cl)c(-c2nnn[n-]2)c1 ZINC000737649118 598643902 /nfs/dbraw/zinc/64/39/02/598643902.db2.gz LMALMEDQWRRQLH-UHFFFAOYSA-N -1 3 339.157 3.892 20 0 EHADHM Fc1ccc(COc2cc(Cl)ccc2Cl)c(-c2nn[n-]n2)c1 ZINC000737649118 598643903 /nfs/dbraw/zinc/64/39/03/598643903.db2.gz LMALMEDQWRRQLH-UHFFFAOYSA-N -1 3 339.157 3.892 20 0 EHADHM Fc1ccc(CSc2cccc3cccnc32)c(-c2nnn[n-]2)c1 ZINC000737648175 598644750 /nfs/dbraw/zinc/64/47/50/598644750.db2.gz GTMAQKKZVFOGPH-UHFFFAOYSA-N -1 3 337.383 3.846 20 0 EHADHM Fc1ccc(CSc2cccc3cccnc32)c(-c2nn[n-]n2)c1 ZINC000737648175 598644752 /nfs/dbraw/zinc/64/47/52/598644752.db2.gz GTMAQKKZVFOGPH-UHFFFAOYSA-N -1 3 337.383 3.846 20 0 EHADHM Cc1ccc2c(c1)CC[C@H]2Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737376499 598657894 /nfs/dbraw/zinc/65/78/94/598657894.db2.gz HEYALMMTEULAOF-MRXNPFEDSA-N -1 3 325.803 3.928 20 0 EHADHM Cc1ccc2c(c1)CC[C@H]2Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737376499 598657896 /nfs/dbraw/zinc/65/78/96/598657896.db2.gz HEYALMMTEULAOF-MRXNPFEDSA-N -1 3 325.803 3.928 20 0 EHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)CCCC(C)(C)C ZINC000735903447 598735578 /nfs/dbraw/zinc/73/55/78/598735578.db2.gz FHFPEAABAIXBSD-UHFFFAOYSA-N -1 3 345.447 3.809 20 0 EHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCC(C)(C)C ZINC000735903447 598735579 /nfs/dbraw/zinc/73/55/79/598735579.db2.gz FHFPEAABAIXBSD-UHFFFAOYSA-N -1 3 345.447 3.809 20 0 EHADHM CCC(=CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736305904 598736298 /nfs/dbraw/zinc/73/62/98/598736298.db2.gz YCJCEOJUMXXRNW-JNINTMOKSA-N -1 3 347.422 3.538 20 0 EHADHM CCC(=CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736305904 598736299 /nfs/dbraw/zinc/73/62/99/598736299.db2.gz YCJCEOJUMXXRNW-JNINTMOKSA-N -1 3 347.422 3.538 20 0 EHADHM C[C@@H](N[C@@H](C)c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736136123 598786599 /nfs/dbraw/zinc/78/65/99/598786599.db2.gz ZXFCPBRMWCURDW-MNOVXSKESA-N -1 3 329.354 3.557 20 0 EHADHM CC(C)Oc1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000735915893 598792556 /nfs/dbraw/zinc/79/25/56/598792556.db2.gz VDNRQVXFSULOBX-UHFFFAOYSA-N -1 3 343.818 3.919 20 0 EHADHM CC(C)Oc1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000735915893 598792558 /nfs/dbraw/zinc/79/25/58/598792558.db2.gz VDNRQVXFSULOBX-UHFFFAOYSA-N -1 3 343.818 3.919 20 0 EHADHM Fc1cccc(Nc2ccc(OCC3CC3)cc2)c1-c1nnn[n-]1 ZINC000737662555 598817691 /nfs/dbraw/zinc/81/76/91/598817691.db2.gz BJORZRQCYCASSZ-UHFFFAOYSA-N -1 3 325.347 3.538 20 0 EHADHM Fc1cccc(Nc2ccc(OCC3CC3)cc2)c1-c1nn[n-]n1 ZINC000737662555 598817693 /nfs/dbraw/zinc/81/76/93/598817693.db2.gz BJORZRQCYCASSZ-UHFFFAOYSA-N -1 3 325.347 3.538 20 0 EHADHM C[C@@H](Nc1ccc2ccc(F)cc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736135562 599323515 /nfs/dbraw/zinc/32/35/15/599323515.db2.gz BKCALASLFHYXJL-LLVKDONJSA-N -1 3 334.358 3.727 20 0 EHADHM C[C@@H](Nc1ccc2ccc(F)cc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736135562 599323518 /nfs/dbraw/zinc/32/35/18/599323518.db2.gz BKCALASLFHYXJL-LLVKDONJSA-N -1 3 334.358 3.727 20 0 EHADHM C[C@@H](SCc1ccc(Cl)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190989 599328487 /nfs/dbraw/zinc/32/84/87/599328487.db2.gz USGSBIVYFUSWFJ-SNVBAGLBSA-N -1 3 331.832 3.910 20 0 EHADHM C[C@@H](SCc1ccc(Cl)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190989 599328489 /nfs/dbraw/zinc/32/84/89/599328489.db2.gz USGSBIVYFUSWFJ-SNVBAGLBSA-N -1 3 331.832 3.910 20 0 EHADHM Fc1cccc2c1CC[C@H]2Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737662657 599417097 /nfs/dbraw/zinc/41/70/97/599417097.db2.gz COQGITMPUGMQJQ-CQSZACIVSA-N -1 3 329.766 3.759 20 0 EHADHM Fc1cccc2c1CC[C@H]2Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737662657 599417098 /nfs/dbraw/zinc/41/70/98/599417098.db2.gz COQGITMPUGMQJQ-CQSZACIVSA-N -1 3 329.766 3.759 20 0 EHADHM Clc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](c3ccccc3)C2)c1 ZINC000737571085 599421012 /nfs/dbraw/zinc/42/10/12/599421012.db2.gz QYTWADCWDTZPBI-CYBMUJFWSA-N -1 3 325.803 3.514 20 0 EHADHM Clc1ccc(-c2nn[n-]n2)c(N2CC[C@@H](c3ccccc3)C2)c1 ZINC000737571085 599421016 /nfs/dbraw/zinc/42/10/16/599421016.db2.gz QYTWADCWDTZPBI-CYBMUJFWSA-N -1 3 325.803 3.514 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)CCC(C)(C)C ZINC000737291378 599503055 /nfs/dbraw/zinc/50/30/55/599503055.db2.gz JPGSRUDARQLBSO-GFCCVEGCSA-N -1 3 330.436 3.511 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)CCC(C)(C)C ZINC000737291378 599503057 /nfs/dbraw/zinc/50/30/57/599503057.db2.gz JPGSRUDARQLBSO-GFCCVEGCSA-N -1 3 330.436 3.511 20 0 EHADHM C[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)C1CCCCC1 ZINC000820461565 599579155 /nfs/dbraw/zinc/57/91/55/599579155.db2.gz MPJDKJZIFIFBDQ-SECBINFHSA-N -1 3 340.353 3.661 20 0 EHADHM C[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)C1CCCCC1 ZINC000820461565 599579157 /nfs/dbraw/zinc/57/91/57/599579157.db2.gz MPJDKJZIFIFBDQ-SECBINFHSA-N -1 3 340.353 3.661 20 0 EHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)CCCC2CCCC2)s1 ZINC000821465443 599630445 /nfs/dbraw/zinc/63/04/45/599630445.db2.gz HIYGHKFTCXFWMI-UHFFFAOYSA-N -1 3 333.461 3.790 20 0 EHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)CCCC2CCCC2)s1 ZINC000821465443 599630446 /nfs/dbraw/zinc/63/04/46/599630446.db2.gz HIYGHKFTCXFWMI-UHFFFAOYSA-N -1 3 333.461 3.790 20 0 EHADHM CSc1ccc(F)cc1CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821983071 599686616 /nfs/dbraw/zinc/68/66/16/599686616.db2.gz DCAVPXGFNBYNCB-UHFFFAOYSA-N -1 3 349.822 3.993 20 0 EHADHM CSc1ccc(F)cc1CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821983071 599686617 /nfs/dbraw/zinc/68/66/17/599686617.db2.gz DCAVPXGFNBYNCB-UHFFFAOYSA-N -1 3 349.822 3.993 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1NCC1CCC(C(F)(F)F)CC1 ZINC000822743850 599689432 /nfs/dbraw/zinc/68/94/32/599689432.db2.gz GSGGXTODKJQRCJ-UHFFFAOYSA-N -1 3 343.328 3.786 20 0 EHADHM CC=C(C=CC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)CC ZINC000820833303 607402513 /nfs/dbraw/zinc/40/25/13/607402513.db2.gz VXBYNUJFYOWNIA-SLHOPRNSSA-N -1 3 341.415 3.505 20 0 EHADHM CC=C(C=CC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)CC ZINC000820833303 607402516 /nfs/dbraw/zinc/40/25/16/607402516.db2.gz VXBYNUJFYOWNIA-SLHOPRNSSA-N -1 3 341.415 3.505 20 0 EHADHM COc1ccc(OC)c([C@@H]2CCCN2Cc2cccc(C(=O)[O-])c2)c1 ZINC000738048107 599996474 /nfs/dbraw/zinc/99/64/74/599996474.db2.gz KTDMNELYDCQWFF-SFHVURJKSA-N -1 3 341.407 3.739 20 0 EHADHM Cc1ccc(OC2CCN([C@@H](C(=O)[O-])c3ccc(F)cc3)CC2)cc1 ZINC000569229621 600261964 /nfs/dbraw/zinc/26/19/64/600261964.db2.gz KKWBCMPWSDPMCB-LJQANCHMSA-N -1 3 343.398 3.803 20 0 EHADHM CCC[C@@](C)(NCc1csc(-c2cccc(OC)c2)n1)C(=O)[O-] ZINC000736963474 600322789 /nfs/dbraw/zinc/32/27/89/600322789.db2.gz ZUZZIQUXAJJAIK-QGZVFWFLSA-N -1 3 334.441 3.552 20 0 EHADHM O=C([O-])[C@H](NCc1ccccc1OCC(F)(F)F)c1ccccc1 ZINC000738525895 600427780 /nfs/dbraw/zinc/42/77/80/600427780.db2.gz ONZFWBDUHYNPGB-OAHLLOKOSA-N -1 3 339.313 3.543 20 0 EHADHM O=C([O-])CC1(NCc2nnc(-c3ccccc3Cl)o2)CCCCC1 ZINC000833205946 601554481 /nfs/dbraw/zinc/55/44/81/601554481.db2.gz RNGQQJVSQYNPER-UHFFFAOYSA-N -1 3 349.818 3.657 20 0 EHADHM COc1cc([C@@H](C)NCc2c[nH]c(C(=O)[O-])c2)ccc1OCC(C)C ZINC000831956529 601831459 /nfs/dbraw/zinc/83/14/59/601831459.db2.gz WUROMHLSTZQZGY-CYBMUJFWSA-N -1 3 346.427 3.607 20 0 EHADHM CN(Cc1ccc(C(=O)[O-])s1)Cc1ccc(Br)cc1 ZINC000109601709 601935905 /nfs/dbraw/zinc/93/59/05/601935905.db2.gz ZCFDRJPLNQSZEN-UHFFFAOYSA-N -1 3 340.242 3.841 20 0 EHADHM CCOC[C@H]1CCCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000567510290 602041082 /nfs/dbraw/zinc/04/10/82/602041082.db2.gz 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ZINC000826243354 607708794 /nfs/dbraw/zinc/70/87/94/607708794.db2.gz FKXQUWILDUVDLT-UHFFFAOYSA-N -1 3 335.411 3.575 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)c1ccc(C(C)C)cc1 ZINC000826243354 607708797 /nfs/dbraw/zinc/70/87/97/607708797.db2.gz FKXQUWILDUVDLT-UHFFFAOYSA-N -1 3 335.411 3.575 20 0 EHADHM FC(F)(F)c1csc(CSc2cccc(-c3nnn[n-]3)c2)n1 ZINC000826369253 607713812 /nfs/dbraw/zinc/71/38/12/607713812.db2.gz UHEJXCZLQWUZJP-UHFFFAOYSA-N -1 3 343.359 3.634 20 0 EHADHM FC(F)(F)c1csc(CSc2cccc(-c3nn[n-]n3)c2)n1 ZINC000826369253 607713814 /nfs/dbraw/zinc/71/38/14/607713814.db2.gz UHEJXCZLQWUZJP-UHFFFAOYSA-N -1 3 343.359 3.634 20 0 EHADHM O=C([O-])[C@H](NCc1cccc(COc2ccccc2)c1)c1cccnc1 ZINC000833169043 604995635 /nfs/dbraw/zinc/99/56/35/604995635.db2.gz CRDLQLCKPTZNFS-HXUWFJFHSA-N -1 3 348.402 3.576 20 0 EHADHM Cc1cccc(-c2cccc(CN[C@@H](C(=O)[O-])c3cccnc3)c2)c1 ZINC000832960719 604999570 /nfs/dbraw/zinc/99/95/70/604999570.db2.gz XHCURRRWSIBLLA-HXUWFJFHSA-N -1 3 332.403 3.973 20 0 EHADHM CC(C)(CN[C@@H](C(=O)[O-])c1c(F)cccc1Cl)[C@H]1CCCCO1 ZINC000833458725 605360106 /nfs/dbraw/zinc/36/01/06/605360106.db2.gz XYGRISCZTLXMPM-UKRRQHHQSA-N -1 3 343.826 3.790 20 0 EHADHM Fc1cccc2c1CC[C@@H]2Nc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000822791228 606057118 /nfs/dbraw/zinc/05/71/18/606057118.db2.gz FRUYZPPPOUECMF-KRWDZBQOSA-N -1 3 346.369 3.653 20 0 EHADHM Fc1cccc2c1CC[C@@H]2Nc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000822791228 606057122 /nfs/dbraw/zinc/05/71/22/606057122.db2.gz FRUYZPPPOUECMF-KRWDZBQOSA-N -1 3 346.369 3.653 20 0 EHADHM C[C@H]1c2ccccc2CN1c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000820827234 606137683 /nfs/dbraw/zinc/13/76/83/606137683.db2.gz QULXWEUAMNDESF-JTQLQIEISA-N -1 3 345.328 3.967 20 0 EHADHM CC(C)N(C)c1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1F ZINC000820112359 606212285 /nfs/dbraw/zinc/21/22/85/606212285.db2.gz SAIBSFFYJIMHJE-UHFFFAOYSA-N -1 3 346.435 3.524 20 0 EHADHM CC(C)N(C)c1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1F ZINC000820112359 606212286 /nfs/dbraw/zinc/21/22/86/606212286.db2.gz SAIBSFFYJIMHJE-UHFFFAOYSA-N -1 3 346.435 3.524 20 0 EHADHM c1c(CSc2cccc(-c3nnn[n-]3)c2)onc1-c1ccccc1 ZINC000823767729 606328609 /nfs/dbraw/zinc/32/86/09/606328609.db2.gz WCTCZPGOVPNVPN-UHFFFAOYSA-N -1 3 335.392 3.814 20 0 EHADHM c1c(CSc2cccc(-c3nn[n-]n3)c2)onc1-c1ccccc1 ZINC000823767729 606328611 /nfs/dbraw/zinc/32/86/11/606328611.db2.gz WCTCZPGOVPNVPN-UHFFFAOYSA-N -1 3 335.392 3.814 20 0 EHADHM C[C@@H](OC(=O)c1ccc(F)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512036 606341154 /nfs/dbraw/zinc/34/11/54/606341154.db2.gz FXRHKUWEWIROFZ-SECBINFHSA-N -1 3 346.749 3.577 20 0 EHADHM C[C@@H](OC(=O)c1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512036 606341157 /nfs/dbraw/zinc/34/11/57/606341157.db2.gz FXRHKUWEWIROFZ-SECBINFHSA-N -1 3 346.749 3.577 20 0 EHADHM CC[C@H](C)Oc1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000820875990 606413020 /nfs/dbraw/zinc/41/30/20/606413020.db2.gz JSXXLFIQVVPUTQ-NSHDSACASA-N -1 3 329.429 3.718 20 0 EHADHM C[C@H](NCc1ccc(-c2nnn[n-]2)s1)c1ccc(F)cc1Cl ZINC000820432968 606421425 /nfs/dbraw/zinc/42/14/25/606421425.db2.gz UNNLTFQZAQNRKM-QMMMGPOBSA-N -1 3 337.811 3.572 20 0 EHADHM c1cnc(Oc2ccc(OC3CCCCC3)cc2)c(-c2nnn[n-]2)c1 ZINC000823809940 606433618 /nfs/dbraw/zinc/43/36/18/606433618.db2.gz SCXMNBYPFLPPPC-UHFFFAOYSA-N -1 3 337.383 3.766 20 0 EHADHM CC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccc(OC)cc1 ZINC000820926619 606441734 /nfs/dbraw/zinc/44/17/34/606441734.db2.gz UBIFFVVYHMXFBG-OAHLLOKOSA-N -1 3 327.363 3.578 20 0 EHADHM C[C@@H]1c2ccsc2CCN1c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000820828037 606442825 /nfs/dbraw/zinc/44/28/25/606442825.db2.gz ZNBKAEGRSGKXFS-SECBINFHSA-N -1 3 331.832 3.705 20 0 EHADHM C[C@@H]1c2ccsc2CCN1c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820828037 606442826 /nfs/dbraw/zinc/44/28/26/606442826.db2.gz ZNBKAEGRSGKXFS-SECBINFHSA-N -1 3 331.832 3.705 20 0 EHADHM CCCCc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821077520 606476752 /nfs/dbraw/zinc/47/67/52/606476752.db2.gz JPEDQXTWMQYWEI-UHFFFAOYSA-N -1 3 327.413 3.523 20 0 EHADHM CCCCc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821077520 606476754 /nfs/dbraw/zinc/47/67/54/606476754.db2.gz JPEDQXTWMQYWEI-UHFFFAOYSA-N -1 3 327.413 3.523 20 0 EHADHM CC(C)(C)[C@@H](Nc1ncccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000819899073 606643420 /nfs/dbraw/zinc/64/34/20/606643420.db2.gz NAFBSZYDTUGYTR-AWEZNQCLSA-N -1 3 326.379 3.600 20 0 EHADHM CC(C)(C)[C@@H](Nc1ncccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000819899073 606643421 /nfs/dbraw/zinc/64/34/21/606643421.db2.gz NAFBSZYDTUGYTR-AWEZNQCLSA-N -1 3 326.379 3.600 20 0 EHADHM Cc1nc(CSCc2ccc(F)cc2-c2nnn[n-]2)sc1C ZINC000822444207 606695159 /nfs/dbraw/zinc/69/51/59/606695159.db2.gz GUFYUHVMULWIHN-UHFFFAOYSA-N -1 3 335.433 3.513 20 0 EHADHM Cc1nc(CSCc2ccc(F)cc2-c2nn[n-]n2)sc1C ZINC000822444207 606695160 /nfs/dbraw/zinc/69/51/60/606695160.db2.gz GUFYUHVMULWIHN-UHFFFAOYSA-N -1 3 335.433 3.513 20 0 EHADHM CC(C)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000820136667 606706686 /nfs/dbraw/zinc/70/66/86/606706686.db2.gz AGUYHLUJZLJPHX-UHFFFAOYSA-N -1 3 343.818 3.919 20 0 EHADHM CC(C)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000820136667 606706688 /nfs/dbraw/zinc/70/66/88/606706688.db2.gz AGUYHLUJZLJPHX-UHFFFAOYSA-N -1 3 343.818 3.919 20 0 EHADHM Cc1ccc([C@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1F ZINC000822228826 606733317 /nfs/dbraw/zinc/73/33/17/606733317.db2.gz GIODAHQKVTWHSO-VIFPVBQESA-N -1 3 332.770 3.536 20 0 EHADHM Cc1ccc([C@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1F ZINC000822228826 606733318 /nfs/dbraw/zinc/73/33/18/606733318.db2.gz GIODAHQKVTWHSO-VIFPVBQESA-N -1 3 332.770 3.536 20 0 EHADHM CN(c1ccccc1NCc1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000821619110 606776597 /nfs/dbraw/zinc/77/65/97/606776597.db2.gz JZLCODXXBKTMEB-UHFFFAOYSA-N -1 3 348.454 3.858 20 0 EHADHM CN(c1ccccc1NCc1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000821619110 606776599 /nfs/dbraw/zinc/77/65/99/606776599.db2.gz JZLCODXXBKTMEB-UHFFFAOYSA-N -1 3 348.454 3.858 20 0 EHADHM O=C(CSc1cccc(-c2nnn[n-]2)c1)c1ccc(F)c(Cl)c1 ZINC000823070764 607012729 /nfs/dbraw/zinc/01/27/29/607012729.db2.gz MUUPRYCMLBCTLM-UHFFFAOYSA-N -1 3 348.790 3.634 20 0 EHADHM O=C(CSc1cccc(-c2nn[n-]n2)c1)c1ccc(F)c(Cl)c1 ZINC000823070764 607012730 /nfs/dbraw/zinc/01/27/30/607012730.db2.gz MUUPRYCMLBCTLM-UHFFFAOYSA-N -1 3 348.790 3.634 20 0 EHADHM C[C@@H](SCc1nnc(C(C)(C)C)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820548742 607034780 /nfs/dbraw/zinc/03/47/80/607034780.db2.gz GJQYSXDGAHRTJF-SNVBAGLBSA-N -1 3 344.444 3.542 20 0 EHADHM C[C@@H](SCc1nnc(C(C)(C)C)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820548742 607034783 /nfs/dbraw/zinc/03/47/83/607034783.db2.gz GJQYSXDGAHRTJF-SNVBAGLBSA-N -1 3 344.444 3.542 20 0 EHADHM c1ccc2c(c1)OC1(CCCC1)C[C@H]2Nc1ccc(-c2nnn[n-]2)cn1 ZINC000823802362 607035067 /nfs/dbraw/zinc/03/50/67/607035067.db2.gz KWMATUORUPYWSU-OAHLLOKOSA-N -1 3 348.410 3.510 20 0 EHADHM c1ccc2c(c1)OC1(CCCC1)C[C@H]2Nc1ccc(-c2nn[n-]n2)cn1 ZINC000823802362 607035069 /nfs/dbraw/zinc/03/50/69/607035069.db2.gz KWMATUORUPYWSU-OAHLLOKOSA-N -1 3 348.410 3.510 20 0 EHADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820698992 607195540 /nfs/dbraw/zinc/19/55/40/607195540.db2.gz XFODKWMHXUOEGY-YGRLFVJLSA-N -1 3 348.838 3.563 20 0 EHADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820698992 607195541 /nfs/dbraw/zinc/19/55/41/607195541.db2.gz XFODKWMHXUOEGY-YGRLFVJLSA-N -1 3 348.838 3.563 20 0 EHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1C[C@@H]1C1CCCCC1 ZINC000823314554 607243233 /nfs/dbraw/zinc/24/32/33/607243233.db2.gz PVBHXVWEEGRRHW-OLZOCXBDSA-N -1 3 345.834 3.675 20 0 EHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1C[C@@H]1C1CCCCC1 ZINC000823314554 607243234 /nfs/dbraw/zinc/24/32/34/607243234.db2.gz PVBHXVWEEGRRHW-OLZOCXBDSA-N -1 3 345.834 3.675 20 0 EHADHM Cc1cccc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1Cl ZINC000826296161 607860724 /nfs/dbraw/zinc/86/07/24/607860724.db2.gz LIPRYSDLJOAGGR-LLVKDONJSA-N -1 3 342.786 3.747 20 0 EHADHM Cc1cccc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC000826296161 607860725 /nfs/dbraw/zinc/86/07/25/607860725.db2.gz LIPRYSDLJOAGGR-LLVKDONJSA-N -1 3 342.786 3.747 20 0 EHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000826454479 607927732 /nfs/dbraw/zinc/92/77/32/607927732.db2.gz YGGZJJQIQABKGS-JHJVBQTASA-N -1 3 343.406 3.551 20 0 EHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000826454479 607927733 /nfs/dbraw/zinc/92/77/33/607927733.db2.gz YGGZJJQIQABKGS-JHJVBQTASA-N -1 3 343.406 3.551 20 0 EHADHM c1csc(-c2nc(COc3cccc(-c4nnn[n-]4)c3)cs2)c1 ZINC000826517765 608017469 /nfs/dbraw/zinc/01/74/69/608017469.db2.gz OASLVPSCCAJFKL-UHFFFAOYSA-N -1 3 341.421 3.631 20 0 EHADHM c1csc(-c2nc(COc3cccc(-c4nn[n-]n4)c3)cs2)c1 ZINC000826517765 608017470 /nfs/dbraw/zinc/01/74/70/608017470.db2.gz OASLVPSCCAJFKL-UHFFFAOYSA-N -1 3 341.421 3.631 20 0 EHADHM CCN(Cc1cccs1)c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825439795 608221122 /nfs/dbraw/zinc/22/11/22/608221122.db2.gz OQWBMYQLYHUNHY-UHFFFAOYSA-N -1 3 336.424 3.503 20 0 EHADHM CCN(Cc1cccs1)c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825439795 608221124 /nfs/dbraw/zinc/22/11/24/608221124.db2.gz OQWBMYQLYHUNHY-UHFFFAOYSA-N -1 3 336.424 3.503 20 0 EHADHM Cc1ccc([C@H]2CCCN2c2ccc3cc(-c4nnn[n-]4)ccc3n2)o1 ZINC000826286071 608229031 /nfs/dbraw/zinc/22/90/31/608229031.db2.gz RJNKBOIOJKDHPW-MRXNPFEDSA-N -1 3 346.394 3.658 20 0 EHADHM Cc1ccc([C@H]2CCCN2c2ccc3cc(-c4nn[n-]n4)ccc3n2)o1 ZINC000826286071 608229033 /nfs/dbraw/zinc/22/90/33/608229033.db2.gz RJNKBOIOJKDHPW-MRXNPFEDSA-N -1 3 346.394 3.658 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H](C)c2cccc(OC(C)C)c2)n1 ZINC000826275166 608275731 /nfs/dbraw/zinc/27/57/31/608275731.db2.gz QYMDTESITMQVBJ-ZDUSSCGKSA-N -1 3 338.415 3.530 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H](C)c2cccc(OC(C)C)c2)n1 ZINC000826275166 608275732 /nfs/dbraw/zinc/27/57/32/608275732.db2.gz QYMDTESITMQVBJ-ZDUSSCGKSA-N -1 3 338.415 3.530 20 0 EHADHM CC(C)(C)CC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824080700 608303688 /nfs/dbraw/zinc/30/36/88/608303688.db2.gz ZQEPPXQVUPISAE-UHFFFAOYSA-N -1 3 349.438 3.586 20 0 EHADHM CC(C)(C)CC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824080700 608303691 /nfs/dbraw/zinc/30/36/91/608303691.db2.gz ZQEPPXQVUPISAE-UHFFFAOYSA-N -1 3 349.438 3.586 20 0 EHADHM CC[C@H](C)n1ncc(NCc2ccc(-c3nnn[n-]3)cc2)c1C1CC1 ZINC000825082424 608427953 /nfs/dbraw/zinc/42/79/53/608427953.db2.gz TWNGWRBYTRNFCX-LBPRGKRZSA-N -1 3 337.431 3.524 20 0 EHADHM CC[C@H](C)n1ncc(NCc2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC000825082424 608427955 /nfs/dbraw/zinc/42/79/55/608427955.db2.gz TWNGWRBYTRNFCX-LBPRGKRZSA-N -1 3 337.431 3.524 20 0 EHADHM Clc1cnc(CSc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826354259 609178295 /nfs/dbraw/zinc/17/82/95/609178295.db2.gz VLKCRDYTPICEQH-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM Clc1cnc(CSc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826354259 609178297 /nfs/dbraw/zinc/17/82/97/609178297.db2.gz VLKCRDYTPICEQH-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM Clc1ccc2sc(NCc3ccc(-c4nnn[n-]4)s3)nc2c1 ZINC000826352753 609266312 /nfs/dbraw/zinc/26/63/12/609266312.db2.gz MYJYTNXDAJCAAG-UHFFFAOYSA-N -1 3 348.844 3.803 20 0 EHADHM Clc1ccc2sc(NCc3cc(-c4nnn[n-]4)cs3)nc2c1 ZINC000826352786 609266402 /nfs/dbraw/zinc/26/64/02/609266402.db2.gz NVYWQTDTISRDJC-UHFFFAOYSA-N -1 3 348.844 3.803 20 0 EHADHM Clc1ccc2sc(NCc3cc(-c4nn[n-]n4)cs3)nc2c1 ZINC000826352786 609266403 /nfs/dbraw/zinc/26/64/03/609266403.db2.gz NVYWQTDTISRDJC-UHFFFAOYSA-N -1 3 348.844 3.803 20 0 EHADHM C[C@@H](Nc1ccc(F)cc1OC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824655882 609279088 /nfs/dbraw/zinc/27/90/88/609279088.db2.gz GJIULLDNQUQBIO-SECBINFHSA-N -1 3 349.316 3.780 20 0 EHADHM C[C@@H](Nc1ccc(F)cc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824655882 609279089 /nfs/dbraw/zinc/27/90/89/609279089.db2.gz GJIULLDNQUQBIO-SECBINFHSA-N -1 3 349.316 3.780 20 0 EHADHM C[C@H](Nc1ccc(F)cc1OC(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000824655823 609279490 /nfs/dbraw/zinc/27/94/90/609279490.db2.gz FYWGRMBHFFNSRO-VIFPVBQESA-N -1 3 349.316 3.780 20 0 EHADHM C[C@H](Nc1ccc(F)cc1OC(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824655823 609279492 /nfs/dbraw/zinc/27/94/92/609279492.db2.gz FYWGRMBHFFNSRO-VIFPVBQESA-N -1 3 349.316 3.780 20 0 EHADHM CCN(C(=O)[C@@H]1CCC(C)(C)C1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367509 609375396 /nfs/dbraw/zinc/37/53/96/609375396.db2.gz RLPUMWFNSLGJNS-CZUORRHYSA-N -1 3 341.459 3.603 20 0 EHADHM CCN(C(=O)[C@@H]1CCC(C)(C)C1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367509 609375401 /nfs/dbraw/zinc/37/54/01/609375401.db2.gz RLPUMWFNSLGJNS-CZUORRHYSA-N -1 3 341.459 3.603 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NCc1cccc(-c2ccccn2)c1 ZINC000826278634 609481851 /nfs/dbraw/zinc/48/18/51/609481851.db2.gz MGDRVTUFNMYLOZ-UHFFFAOYSA-N -1 3 342.406 3.849 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NCc1cccc(-c2ccccn2)c1 ZINC000826278634 609481852 /nfs/dbraw/zinc/48/18/52/609481852.db2.gz MGDRVTUFNMYLOZ-UHFFFAOYSA-N -1 3 342.406 3.849 20 0 EHADHM Cc1c(NCc2nc(-c3ccccc3)cs2)cccc1-c1nnn[n-]1 ZINC000826243224 609486873 /nfs/dbraw/zinc/48/68/73/609486873.db2.gz ZLGWQGJWEHRJRX-UHFFFAOYSA-N -1 3 348.435 3.911 20 0 EHADHM Cc1c(NCc2nc(-c3ccccc3)cs2)cccc1-c1nn[n-]n1 ZINC000826243224 609486876 /nfs/dbraw/zinc/48/68/76/609486876.db2.gz ZLGWQGJWEHRJRX-UHFFFAOYSA-N -1 3 348.435 3.911 20 0 EHADHM Cc1ccsc1CNc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000826316718 609494045 /nfs/dbraw/zinc/49/40/45/609494045.db2.gz WPWFYTJVFHFJRW-UHFFFAOYSA-N -1 3 329.429 3.636 20 0 EHADHM Cc1ccsc1CNc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000826316718 609494046 /nfs/dbraw/zinc/49/40/46/609494046.db2.gz WPWFYTJVFHFJRW-UHFFFAOYSA-N -1 3 329.429 3.636 20 0 EHADHM CC[C@H](Nc1nccc(C)c1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000825147671 609563172 /nfs/dbraw/zinc/56/31/72/609563172.db2.gz LGRNPWDNGTTYIQ-ZDUSSCGKSA-N -1 3 328.807 3.787 20 0 EHADHM CC[C@H](Nc1nccc(C)c1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000825147671 609563173 /nfs/dbraw/zinc/56/31/73/609563173.db2.gz LGRNPWDNGTTYIQ-ZDUSSCGKSA-N -1 3 328.807 3.787 20 0 EHADHM Cc1nc2c(s1)[C@H](Nc1c(Cl)cccc1-c1nnn[n-]1)CCC2 ZINC000826328176 609565002 /nfs/dbraw/zinc/56/50/02/609565002.db2.gz IADZZHWREQWICR-GFCCVEGCSA-N -1 3 346.847 3.775 20 0 EHADHM Cc1nc2c(s1)[C@H](Nc1c(Cl)cccc1-c1nn[n-]n1)CCC2 ZINC000826328176 609565004 /nfs/dbraw/zinc/56/50/04/609565004.db2.gz IADZZHWREQWICR-GFCCVEGCSA-N -1 3 346.847 3.775 20 0 EHADHM Cc1ccnc(N[C@@H](c2ccc(F)c(C)c2)C2CC2)c1-c1nnn[n-]1 ZINC000826262611 609583353 /nfs/dbraw/zinc/58/33/53/609583353.db2.gz TWBBNURQRIZLAA-MRXNPFEDSA-N -1 3 338.390 3.581 20 0 EHADHM Cc1ccnc(N[C@@H](c2ccc(F)c(C)c2)C2CC2)c1-c1nn[n-]n1 ZINC000826262611 609583356 /nfs/dbraw/zinc/58/33/56/609583356.db2.gz TWBBNURQRIZLAA-MRXNPFEDSA-N -1 3 338.390 3.581 20 0 EHADHM CC(C)CCc1nc(CNc2ccc(F)c(-c3nnn[n-]3)c2)cs1 ZINC000820081623 945346520 /nfs/dbraw/zinc/34/65/20/945346520.db2.gz OAGOYWPDZAOITG-UHFFFAOYSA-N -1 3 346.435 3.663 20 0 EHADHM CC(C)CCc1nc(CNc2ccc(F)c(-c3nn[n-]n3)c2)cs1 ZINC000820081623 945346528 /nfs/dbraw/zinc/34/65/28/945346528.db2.gz OAGOYWPDZAOITG-UHFFFAOYSA-N -1 3 346.435 3.663 20 0 EHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1-c1ccccc1 ZINC000121071195 944624643 /nfs/dbraw/zinc/62/46/43/944624643.db2.gz CXLZFMAXNZNQQR-UHFFFAOYSA-N -1 3 341.374 3.786 20 0 EHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1-c1ccccc1 ZINC000121071195 944624648 /nfs/dbraw/zinc/62/46/48/944624648.db2.gz CXLZFMAXNZNQQR-UHFFFAOYSA-N -1 3 341.374 3.786 20 0 EHADHM COc1cccc(CCCSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737131500 944966460 /nfs/dbraw/zinc/96/64/60/944966460.db2.gz QAYHTJOYWCUEBI-UHFFFAOYSA-N -1 3 326.425 3.600 20 0 EHADHM COc1cccc(CCCSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737131500 944966466 /nfs/dbraw/zinc/96/64/66/944966466.db2.gz QAYHTJOYWCUEBI-UHFFFAOYSA-N -1 3 326.425 3.600 20 0 EHADHM C[C@@H]1CCC[C@@H]1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000824928824 946995482 /nfs/dbraw/zinc/99/54/82/946995482.db2.gz VABIGZTYXXYRJA-MNOVXSKESA-N -1 3 345.472 3.572 20 0 EHADHM C[C@@H]1CCC[C@@H]1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000824928824 946995491 /nfs/dbraw/zinc/99/54/91/946995491.db2.gz VABIGZTYXXYRJA-MNOVXSKESA-N -1 3 345.472 3.572 20 0 EHADHM CC[C@H](C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825050083 947058553 /nfs/dbraw/zinc/05/85/53/947058553.db2.gz GOKQHXKMIJPWIS-UONOGXRCSA-N -1 3 349.438 3.757 20 0 EHADHM CC[C@H](C)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825050083 947058564 /nfs/dbraw/zinc/05/85/64/947058564.db2.gz GOKQHXKMIJPWIS-UONOGXRCSA-N -1 3 349.438 3.757 20 0 EHADHM CC(C)c1ccc(CSCc2cncc(-c3nnn[n-]3)c2)cc1 ZINC001574416655 948755097 /nfs/dbraw/zinc/75/50/97/948755097.db2.gz BJHLYZUHNUPXFZ-UHFFFAOYSA-N -1 3 325.441 3.819 20 0 EHADHM CC(C)c1ccc(CSCc2cncc(-c3nn[n-]n3)c2)cc1 ZINC001574416655 948755103 /nfs/dbraw/zinc/75/51/03/948755103.db2.gz BJHLYZUHNUPXFZ-UHFFFAOYSA-N -1 3 325.441 3.819 20 0 EHADHM CC(C)[C@H](Nc1cccc(F)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001574079408 948772269 /nfs/dbraw/zinc/77/22/69/948772269.db2.gz JDKOQVGYXSBYTF-INIZCTEOSA-N -1 3 329.354 3.954 20 0 EHADHM CC(C)[C@H](Nc1cccc(F)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001574079408 948772284 /nfs/dbraw/zinc/77/22/84/948772284.db2.gz JDKOQVGYXSBYTF-INIZCTEOSA-N -1 3 329.354 3.954 20 0 EHADHM C[C@@H](Sc1ccncc1-c1nnn[n-]1)c1ccc(OC(F)F)cc1 ZINC001575503039 949035617 /nfs/dbraw/zinc/03/56/17/949035617.db2.gz NKGMRFMREGPDPI-SECBINFHSA-N -1 3 349.366 3.716 20 0 EHADHM C[C@@H](Sc1ccncc1-c1nn[n-]n1)c1ccc(OC(F)F)cc1 ZINC001575503039 949035635 /nfs/dbraw/zinc/03/56/35/949035635.db2.gz NKGMRFMREGPDPI-SECBINFHSA-N -1 3 349.366 3.716 20 0 EHADHM C[C@H]1CCC[C@]1(C)C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001576155868 949423444 /nfs/dbraw/zinc/42/34/44/949423444.db2.gz VRUYANHHTXLSPN-VOJFVSQTSA-N -1 3 325.416 3.509 20 0 EHADHM C[C@H]1CCC[C@]1(C)C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001576155868 949423458 /nfs/dbraw/zinc/42/34/58/949423458.db2.gz VRUYANHHTXLSPN-VOJFVSQTSA-N -1 3 325.416 3.509 20 0 EHADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C[C@@H](C)CC(C)(C)C ZINC001574472492 949559537 /nfs/dbraw/zinc/55/95/37/949559537.db2.gz VMBUMQSEOBPBSO-ZIAGYGMSSA-N -1 3 343.475 3.849 20 0 EHADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C[C@@H](C)CC(C)(C)C ZINC001574472492 949559550 /nfs/dbraw/zinc/55/95/50/949559550.db2.gz VMBUMQSEOBPBSO-ZIAGYGMSSA-N -1 3 343.475 3.849 20 0 EHADHM C[C@H]1CCCC[C@@H]1C(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001576168809 949649106 /nfs/dbraw/zinc/64/91/06/949649106.db2.gz GVCJIHISMPFWSX-QWRGUYRKSA-N -1 3 347.488 3.991 20 0 EHADHM C[C@H]1CCCC[C@@H]1C(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001576168809 949649114 /nfs/dbraw/zinc/64/91/14/949649114.db2.gz GVCJIHISMPFWSX-QWRGUYRKSA-N -1 3 347.488 3.991 20 0 EHADHM CC(C)(C)C1CCC(OC(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573825455 949881680 /nfs/dbraw/zinc/88/16/80/949881680.db2.gz WIIJMAGGQGVVNA-UHFFFAOYSA-N -1 3 342.443 3.557 20 0 EHADHM CC(C)(C)C1CCC(OC(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573825455 949881708 /nfs/dbraw/zinc/88/17/08/949881708.db2.gz WIIJMAGGQGVVNA-UHFFFAOYSA-N -1 3 342.443 3.557 20 0 EHADHM COc1ccc([C@H](C)NCc2cccc(C(=O)[O-])c2)c(C)c1OC ZINC000263382931 950427336 /nfs/dbraw/zinc/42/73/36/950427336.db2.gz CDAZFGSAWHKBTA-ZDUSSCGKSA-N -1 3 329.396 3.561 20 0 EHADHM CCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1OCC ZINC000277220162 950522643 /nfs/dbraw/zinc/52/26/43/950522643.db2.gz HVMIDXRUURPHRO-SFHVURJKSA-N -1 3 347.386 3.539 20 0 EHADHM C[C@H]1[C@H](Nc2ncc(C(=O)[O-])cc2Cl)CCN1Cc1ccccc1 ZINC000383497821 971873136 /nfs/dbraw/zinc/87/31/36/971873136.db2.gz XTRGDVKJJLXKRN-BLLLJJGKSA-N -1 3 345.830 3.508 20 0 EHADHM O=S(=O)([N-][C@H]1C[C@H]1c1ccccc1)c1c(Cl)cccc1Cl ZINC000620047721 1125463734 /nfs/dbraw/zinc/46/37/34/1125463734.db2.gz ILQYHZFUDNTLAE-FZMZJTMJSA-N -1 3 342.247 3.828 20 0 EHADHM O=C([O-])CCNCc1sc(Sc2ccccc2)nc1Cl ZINC000789899414 955345481 /nfs/dbraw/zinc/34/54/81/955345481.db2.gz ZYFLMVGRLMZRAE-UHFFFAOYSA-N -1 3 328.846 3.512 20 0 EHADHM [O-]c1cccc(CN[C@H]2CCc3c2cccc3O)c1Br ZINC000459419821 1032065063 /nfs/dbraw/zinc/06/50/63/1032065063.db2.gz BMGIWVMGWOWZRK-ZDUSSCGKSA-N -1 3 334.213 3.637 20 0 EHADHM O=C([O-])C1CCN(c2ccc(CN3CCC(C4CCC4)CC3)o2)CC1 ZINC000904251916 956942693 /nfs/dbraw/zinc/94/26/93/956942693.db2.gz RDAYAQPYTOTFJO-UHFFFAOYSA-N -1 3 346.471 3.593 20 0 EHADHM O=C([O-])[C@@H]1CCCCCN1Cc1cc(Cl)ccc1Br ZINC000090252789 958094799 /nfs/dbraw/zinc/09/47/99/958094799.db2.gz IITNIFQWZRCZOA-ZDUSSCGKSA-N -1 3 346.652 3.932 20 0 EHADHM CC(=O)Nc1cccc([C@H](C)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001588520058 958826083 /nfs/dbraw/zinc/82/60/83/958826083.db2.gz AGKIRZQDUCAWKT-NXXSPTCGSA-N -1 3 338.407 3.609 20 0 EHADHM CC(C)n1cncc1CN1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001573568617 959304989 /nfs/dbraw/zinc/30/49/89/959304989.db2.gz WYLVVKPNAXWOHB-UHFFFAOYSA-N -1 3 327.428 3.542 20 0 EHADHM CCc1nc2cc(CNCc3ccc(C(=O)[O-])cc3)ccc2n1C1CC1 ZINC000263408602 962574524 /nfs/dbraw/zinc/57/45/24/962574524.db2.gz KQPIDLSXYJRAOS-UHFFFAOYSA-N -1 3 349.434 3.922 20 0 EHADHM CC(C)c1nn(Cc2ccccc2)c(Cl)c1CNC[C@@H](C)C(=O)[O-] ZINC000841803722 969224513 /nfs/dbraw/zinc/22/45/13/969224513.db2.gz XXXGHZITQOUAIM-CYBMUJFWSA-N -1 3 349.862 3.519 20 0 EHADHM O=C([O-])[C@H](NCc1cc(Cl)cc2cccnc21)c1cccs1 ZINC000426801685 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CC[C@H](NC(=O)c1ccc(C)cc1[O-])c1ccc(OC)c(OC)c1 ZINC000436861045 1021298750 /nfs/dbraw/zinc/29/87/50/1021298750.db2.gz AHDDSUPMUXLBAJ-HNNXBMFYSA-N -1 3 329.396 3.599 20 0 EHADHM Cc1cc(Br)ccc1CN(C)C(=O)c1ccccc1[O-] ZINC000436862656 1021300045 /nfs/dbraw/zinc/30/00/45/1021300045.db2.gz FUEWBJDMBSVIEY-UHFFFAOYSA-N -1 3 334.213 3.735 20 0 EHADHM Cc1cc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cc(C)c1O ZINC000436888830 1021340590 /nfs/dbraw/zinc/34/05/90/1021340590.db2.gz PCOLBUVEEAZWEV-QGOAFFKASA-N -1 3 332.403 3.876 20 0 EHADHM COc1ccc(S(=O)(=O)[N-]c2cc(C)c(F)cc2Cl)c(F)c1 ZINC000507556133 1021340951 /nfs/dbraw/zinc/34/09/51/1021340951.db2.gz ZOBUTZWNHZBGEG-UHFFFAOYSA-N -1 3 347.770 3.736 20 0 EHADHM CN(CCCOc1ccc(F)cc1)Cc1c(F)ccc([O-])c1F ZINC000507547967 1021349392 /nfs/dbraw/zinc/34/93/92/1021349392.db2.gz HXCKKMIWPHAFNV-UHFFFAOYSA-N -1 3 325.330 3.710 20 0 EHADHM C[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccccn1 ZINC000436924873 1021384157 /nfs/dbraw/zinc/38/41/57/1021384157.db2.gz 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CC[C@]1(C(=O)[O-])CCCN(Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000322407408 1033670791 /nfs/dbraw/zinc/67/07/91/1033670791.db2.gz XQFFCDDXULEEND-HNNXBMFYSA-N -1 3 333.325 3.921 20 0 EHADHM CC[C@H]1CCCC[C@@H]1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000476380163 1033712643 /nfs/dbraw/zinc/71/26/43/1033712643.db2.gz PNUGYYQBIOCEOF-STQMWFEESA-N -1 3 340.261 3.987 20 0 EHADHM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)c1 ZINC000476394895 1033734266 /nfs/dbraw/zinc/73/42/66/1033734266.db2.gz DVIZYJHGXRIQSS-UHFFFAOYSA-N -1 3 341.379 3.861 20 0 EHADHM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2c([O-])cccc2Cl)c1 ZINC000574933621 1033758646 /nfs/dbraw/zinc/75/86/46/1033758646.db2.gz ZQMIHNSKLGBMBV-MFKMUULPSA-N -1 3 344.798 3.892 20 0 EHADHM CC[C@@H](C)C(=O)Nc1cccc(CN=c2[n-]c(C(C)=O)c(C)s2)c1 ZINC000450253696 1033969455 /nfs/dbraw/zinc/96/94/55/1033969455.db2.gz PQDIEANWQOMGAG-LLVKDONJSA-N -1 3 345.468 3.673 20 0 EHADHM Cc1cc([N-]S(=O)(=O)c2ccccc2)ccc1Oc1cccnc1 ZINC000057126353 1034094843 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O=c1[n-]nc(SC[C@H]2CCCC2(F)F)n1CCc1ccccc1 ZINC000450707768 1034721311 /nfs/dbraw/zinc/72/13/11/1034721311.db2.gz QOJDXVOCJHAMSL-CYBMUJFWSA-N -1 3 339.411 3.754 20 0 EHADHM Cc1nc(C)c(CC(=O)N(CC(C)C)c2cccc(Cl)c2)c(=O)[n-]1 ZINC000456795080 1034737505 /nfs/dbraw/zinc/73/75/05/1034737505.db2.gz GDUQJSKWUVPAQL-UHFFFAOYSA-N -1 3 347.846 3.684 20 0 EHADHM CC1(C)CC[C@@H](NC(=O)NN=c2ccc(Cl)n[n-]2)c2ccccc21 ZINC000060574507 1034763275 /nfs/dbraw/zinc/76/32/75/1034763275.db2.gz ASDUAFKWKZUJRN-CYBMUJFWSA-N -1 3 345.834 3.569 20 0 EHADHM CCCCOc1ccc(C(=O)N2CCC[C@@]3(CCSC3)C2)c([O-])c1 ZINC000456857855 1034814789 /nfs/dbraw/zinc/81/47/89/1034814789.db2.gz ZURVQJWGPKMUDO-LJQANCHMSA-N -1 3 349.496 3.930 20 0 EHADHM CCOC(=O)C1CCC(CC(=O)Nc2c([O-])cccc2Cl)CC1 ZINC000584478998 1034898459 /nfs/dbraw/zinc/89/84/59/1034898459.db2.gz IGXUZKAAGDGETO-UHFFFAOYSA-N -1 3 339.819 3.744 20 0 EHADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000612632241 1035126940 /nfs/dbraw/zinc/12/69/40/1035126940.db2.gz 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C[C@H](CCCc1cccnc1)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000457957770 1036683589 /nfs/dbraw/zinc/68/35/89/1036683589.db2.gz ZIVMJXIXSJLWFU-OAHLLOKOSA-N -1 3 344.430 3.777 20 0 EHADHM C[C@@H](CN(C)Cc1cc(Cl)ccc1OC1CCCC1)C(=O)[O-] ZINC000263453240 1036937551 /nfs/dbraw/zinc/93/75/51/1036937551.db2.gz AHEXWCWTCGCWTI-LBPRGKRZSA-N -1 3 325.836 3.814 20 0 EHADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000177917053 1036967980 /nfs/dbraw/zinc/96/79/80/1036967980.db2.gz WMDHCOQHQRNANS-LLVKDONJSA-N -1 3 341.333 3.582 20 0 EHADHM CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000303138897 1037133199 /nfs/dbraw/zinc/13/31/99/1037133199.db2.gz COQUUOLCYNVGBU-CQSZACIVSA-N -1 3 341.835 3.779 20 0 EHADHM O=C(NCCCNc1ccccc1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646797553 1037148024 /nfs/dbraw/zinc/14/80/24/1037148024.db2.gz LAOCIGNRKSCRGU-UHFFFAOYSA-N -1 3 338.329 3.643 20 0 EHADHM O=S(=O)([N-]C[C@@H]1CCCCS1)c1c(Cl)cccc1Cl ZINC000542238161 1037187118 /nfs/dbraw/zinc/18/71/18/1037187118.db2.gz MRCKBBKPGQQBHA-VIFPVBQESA-N -1 3 340.297 3.557 20 0 EHADHM C[C@@H]1CCN(Cc2ccc(C(=O)[O-])cc2Br)C[C@@H]1C ZINC000226738090 1037345942 /nfs/dbraw/zinc/34/59/42/1037345942.db2.gz GUTQUAGFBQTHDU-MNOVXSKESA-N -1 3 326.234 3.625 20 0 EHADHM O=C(CCCc1ccc([O-])c(F)c1)N1COCC[C@H]1c1ccccc1 ZINC000888192843 1037450401 /nfs/dbraw/zinc/45/04/01/1037450401.db2.gz VQSYGLDUYKOONB-SFHVURJKSA-N -1 3 343.398 3.802 20 0 EHADHM O=S(=O)([N-][C@@H]1CCCC(F)(F)C1)c1cscc1C(F)F ZINC000914264791 1037494244 /nfs/dbraw/zinc/49/42/44/1037494244.db2.gz NMXSZIVBEKUYDE-SSDOTTSWSA-N -1 3 331.356 3.542 20 0 EHADHM Cc1nc(-c2cccc(NC(=O)c3cccc4n[n-]nc43)c2)cs1 ZINC000189590702 1037795838 /nfs/dbraw/zinc/79/58/38/1037795838.db2.gz DAACQQASVFAFTM-UHFFFAOYSA-N -1 3 335.392 3.642 20 0 EHADHM CC[C@@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccc(OC)cc1 ZINC000123670342 1038057279 /nfs/dbraw/zinc/05/72/79/1038057279.db2.gz BNLUQEZNQPMMDV-LBPRGKRZSA-N -1 3 340.383 3.596 20 0 EHADHM CCc1ccc([O-])c(C(=O)N(CCOC)[C@@H](C)c2ccccc2)c1 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EHADHM O=C(c1cc2c(cc1[O-])OCO2)N1CCC[C@H](c2ccccc2)CC1 ZINC000436791332 1038912379 /nfs/dbraw/zinc/91/23/79/1038912379.db2.gz JVFIUEDDRCEGSN-HNNXBMFYSA-N -1 3 339.391 3.531 20 0 EHADHM CCOC(=O)Cc1cccc(-c2nc3ccc(Cl)cc3c(=O)[n-]2)c1 ZINC000485346318 1038933937 /nfs/dbraw/zinc/93/39/37/1038933937.db2.gz KHBICQGOFNBYQW-UHFFFAOYSA-N -1 3 342.782 3.761 20 0 EHADHM COc1cccc(C(=O)Nc2ccc3cnn(C(C)C)c3c2)c1[O-] ZINC000195370403 1038945741 /nfs/dbraw/zinc/94/57/41/1038945741.db2.gz LSVOBAXQQDWZME-UHFFFAOYSA-N -1 3 325.368 3.584 20 0 EHADHM CCN(C(=O)c1cc([O-])ccc1Cl)c1ccc(OC)c(OC)c1 ZINC000431900716 1039000863 /nfs/dbraw/zinc/00/08/63/1039000863.db2.gz FAZNPZOWUJONIX-UHFFFAOYSA-N -1 3 335.787 3.730 20 0 EHADHM CSc1ccc([O-])c(C(=O)N2CC3(CCC3)[C@H]2c2cccnc2)c1 ZINC000898418607 1039010865 /nfs/dbraw/zinc/01/08/65/1039010865.db2.gz UQNNBUUCNDFUOZ-QGZVFWFLSA-N -1 3 340.448 3.877 20 0 EHADHM C[C@H](Cc1cnc2ccccc2n1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000485497539 1039162502 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[O-]C(Nc1nc(-c2ccccc2)ns1)=C(c1ccccc1)C1CC1 ZINC000498811598 1123076815 /nfs/dbraw/zinc/07/68/15/1123076815.db2.gz LXSOJRIUPMDSTO-INIZCTEOSA-N -1 3 335.432 3.759 20 0 EHADHM CC(=O)c1cccc(NC(=O)[C@H](C)SCc2ccccc2)c1[O-] ZINC000556894039 1123171973 /nfs/dbraw/zinc/17/19/73/1123171973.db2.gz JPIHPRSUVCRBBI-ZDUSSCGKSA-N -1 3 329.421 3.855 20 0 EHADHM CCc1ccccc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000132009784 1123195246 /nfs/dbraw/zinc/19/52/46/1123195246.db2.gz CWGCNMNRFCLALV-UHFFFAOYSA-N -1 3 334.213 3.647 20 0 EHADHM Cc1nc(CC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c(C)s1 ZINC000132252473 1123213820 /nfs/dbraw/zinc/21/38/20/1123213820.db2.gz QMMWMGIAXJKWNK-UHFFFAOYSA-N -1 3 330.331 3.666 20 0 EHADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000074374714 1123297684 /nfs/dbraw/zinc/29/76/84/1123297684.db2.gz QKVXUQOTHYPVLG-SJKOYZFVSA-N -1 3 346.377 3.963 20 0 EHADHM Cc1nc(-c2ccccc2)sc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000132787379 1123300537 /nfs/dbraw/zinc/30/05/37/1123300537.db2.gz 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CC(C)c1ccc(C(=O)NC[C@@H](O)c2ccccc2Cl)c([O-])c1 ZINC000740931309 1131556732 /nfs/dbraw/zinc/55/67/32/1131556732.db2.gz VMLLEGBGMQTJRV-QGZVFWFLSA-N -1 3 333.815 3.632 20 0 EHADHM CS[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000742327844 1131706132 /nfs/dbraw/zinc/70/61/32/1131706132.db2.gz HNMQNJBMMAXVSE-NXEZZACHSA-N -1 3 340.297 3.556 20 0 EHADHM COC(=O)/C(C)=C/CSc1nnc([N-]c2ccccc2F)s1 ZINC000743454610 1131921362 /nfs/dbraw/zinc/92/13/62/1131921362.db2.gz OGFKRXUPKCCOMX-VQHVLOKHSA-N -1 3 339.417 3.632 20 0 EHADHM [O-]c1cncc(-c2nc(-c3ncc(C(F)(F)F)cc3Cl)no2)c1 ZINC001212709769 1131989563 /nfs/dbraw/zinc/98/95/63/1131989563.db2.gz MJOYNZWFBXPKLL-UHFFFAOYSA-N -1 3 342.664 3.571 20 0 EHADHM O=c1cc(Nc2ccc(N3CCCCC3)nc2)[n-]n1-c1ccccc1 ZINC001174522316 1132399642 /nfs/dbraw/zinc/39/96/42/1132399642.db2.gz GFBDQQRULAATLN-UHFFFAOYSA-N -1 3 335.411 3.707 20 0 EHADHM [O-]c1c(F)cc(Br)cc1NC1=CCC2(CC1)OCCO2 ZINC001174642919 1132422872 /nfs/dbraw/zinc/42/28/72/1132422872.db2.gz 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[O-]c1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1Cl ZINC000768243040 1133119933 /nfs/dbraw/zinc/11/99/33/1133119933.db2.gz GOCWJPKMYTULQZ-UHFFFAOYSA-N -1 3 334.822 3.503 20 0 EHADHM CCc1cnccc1[C@H](C)[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000773760025 1133187099 /nfs/dbraw/zinc/18/70/99/1133187099.db2.gz HNVNECPUANBRMB-JTQLQIEISA-N -1 3 340.320 3.891 20 0 EHADHM CS[C@@H](C)CCC(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000773787755 1133219793 /nfs/dbraw/zinc/21/97/93/1133219793.db2.gz LOQUVWISJORYLU-LBPRGKRZSA-N -1 3 332.425 3.595 20 0 EHADHM CC(C)OC(=O)c1cc(NC(=O)CCC(C)(C)c2ccccc2)[n-]n1 ZINC001179075943 1133225912 /nfs/dbraw/zinc/22/59/12/1133225912.db2.gz NTTLBQLKTSYKEA-UHFFFAOYSA-N -1 3 343.427 3.671 20 0 EHADHM CC(C)OC(=O)c1cc(NC(=O)CCC(C)(C)c2ccccc2)n[n-]1 ZINC001179075943 1133225916 /nfs/dbraw/zinc/22/59/16/1133225916.db2.gz NTTLBQLKTSYKEA-UHFFFAOYSA-N -1 3 343.427 3.671 20 0 EHADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cncc(C(C)C)c3)c[n-]c12 ZINC001179684997 1133270185 /nfs/dbraw/zinc/27/01/85/1133270185.db2.gz YMVZVSWGCBJXQI-UHFFFAOYSA-N -1 3 339.370 3.746 20 0 EHADHM O=C(CC1CCCCCC1)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001180221377 1133345185 /nfs/dbraw/zinc/34/51/85/1133345185.db2.gz GXHGSBYSNRVBRX-WKILWMFISA-N -1 3 331.460 3.685 20 0 EHADHM CCc1ccc(C(=O)CCC(=O)Nc2c([O-])cccc2C(C)=O)cc1 ZINC001181179401 1133462866 /nfs/dbraw/zinc/46/28/66/1133462866.db2.gz MEXJMHCAVJXJER-UHFFFAOYSA-N -1 3 339.391 3.759 20 0 EHADHM O=C(CC1c2ccccc2-c2ccccc21)NCc1ncccc1[O-] ZINC001181307983 1133478399 /nfs/dbraw/zinc/47/83/99/1133478399.db2.gz BWWHYSDQLCVEDS-UHFFFAOYSA-N -1 3 330.387 3.606 20 0 EHADHM O=C(Nc1ccc(F)c([O-])c1)C12CC(C1)CCN2Cc1ccccc1 ZINC001181486497 1133496491 /nfs/dbraw/zinc/49/64/91/1133496491.db2.gz FKAHGCUWJRYWOY-UHFFFAOYSA-N -1 3 340.398 3.525 20 0 EHADHM [O-]c1ccc(CNC[C@H](O)c2cccc3ccccc32)c(F)c1F ZINC001182835217 1133737978 /nfs/dbraw/zinc/73/79/78/1133737978.db2.gz OVDANHZFOOWFIF-KRWDZBQOSA-N -1 3 329.346 3.647 20 0 EHADHM O=C([N-]c1cc(-c2ccc(F)cc2)no1)C(=O)c1ccc(Cl)cc1 ZINC001182892355 1133745247 /nfs/dbraw/zinc/74/52/47/1133745247.db2.gz VPFWTYQGPVXNOF-UHFFFAOYSA-N -1 3 344.729 3.956 20 0 EHADHM CCCCOc1ccc(C(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)c([O-])c1 ZINC001183110472 1133770066 /nfs/dbraw/zinc/77/00/66/1133770066.db2.gz AXEVYVSMCXNLKA-KDOFPFPSSA-N -1 3 349.471 3.895 20 0 EHADHM Cc1cc(Cl)ccc1NC(=O)[C@@H](C)OC(=O)c1cc2occc2[n-]1 ZINC000786031153 1133793415 /nfs/dbraw/zinc/79/34/15/1133793415.db2.gz OLLKBCSLXSARQI-SNVBAGLBSA-N -1 3 346.770 3.907 20 0 EHADHM O=C(COC(=O)c1cc2occc2[n-]1)C12CC3CC(CC(C3)C1)C2 ZINC000786031423 1133794570 /nfs/dbraw/zinc/79/45/70/1133794570.db2.gz QGZSKQPJFRRRLO-UHFFFAOYSA-N -1 3 327.380 3.703 20 0 EHADHM COC(=O)c1ccc([C@H](C)OC(=O)c2cc3sccc3c([O-])c2)o1 ZINC000786131211 1133811798 /nfs/dbraw/zinc/81/17/98/1133811798.db2.gz NFBGXIODNZEFDC-VIFPVBQESA-N -1 3 346.360 3.905 20 0 EHADHM C[C@H](NC(=O)c1c([O-])cccc1O)c1ccc(F)c2ccccc21 ZINC001183646871 1133835600 /nfs/dbraw/zinc/83/56/00/1133835600.db2.gz FEUGMTAWXYVXCP-NSHDSACASA-N -1 3 325.339 3.881 20 0 EHADHM O=C(Nc1cccc(SC(F)(F)F)c1)c1c([O-])cccc1O ZINC001184099385 1133893580 /nfs/dbraw/zinc/89/35/80/1133893580.db2.gz UNMGRFBEMVKHRT-UHFFFAOYSA-N -1 3 329.299 3.962 20 0 EHADHM Cc1cccc2c1CCN(C(=O)CCCc1ccc([O-])c(F)c1)C2 ZINC000786896119 1133917647 /nfs/dbraw/zinc/91/76/47/1133917647.db2.gz QIRVAVOGZNFLDQ-UHFFFAOYSA-N -1 3 327.399 3.747 20 0 EHADHM CO[C@@H]1Cc2ccc(NC(=O)CCCc3ccc([O-])c(F)c3)cc2C1 ZINC000787262629 1133986493 /nfs/dbraw/zinc/98/64/93/1133986493.db2.gz IZYPTNRZHLVPDB-QGZVFWFLSA-N -1 3 343.398 3.606 20 0 EHADHM Cc1ccc2[nH]cc([C@H](C(=O)Nc3ncccc3[O-])C(F)(F)F)c2c1 ZINC001184929414 1134006495 /nfs/dbraw/zinc/00/64/95/1134006495.db2.gz LRLRQOOJYZCAEJ-CQSZACIVSA-N -1 3 349.312 3.862 20 0 EHADHM O=S(=O)([N-]C1CCC(F)(F)CC1)c1cc2ccccc2s1 ZINC001185421611 1134082255 /nfs/dbraw/zinc/08/22/55/1134082255.db2.gz VUHDCTSKOCSACZ-UHFFFAOYSA-N -1 3 331.409 3.758 20 0 EHADHM CN(C)Cc1cccc([N-]S(=O)(=O)c2cc3ccccc3s2)c1 ZINC001185455210 1134091274 /nfs/dbraw/zinc/09/12/74/1134091274.db2.gz ZLQFNPSYEKVIJS-UHFFFAOYSA-N -1 3 346.477 3.764 20 0 EHADHM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)cc1C ZINC001185529867 1134103926 /nfs/dbraw/zinc/10/39/26/1134103926.db2.gz LTVWKBVFMOSRMB-UHFFFAOYSA-N -1 3 325.817 3.766 20 0 EHADHM COc1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c1 ZINC001185530266 1134104693 /nfs/dbraw/zinc/10/46/93/1134104693.db2.gz WHLJPGOZSVGMBG-UHFFFAOYSA-N -1 3 329.780 3.597 20 0 EHADHM C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1cc2sccc2c([O-])c1 ZINC000788304861 1134105707 /nfs/dbraw/zinc/10/57/07/1134105707.db2.gz MQYWDDKPEMBLSZ-WBMJQRKESA-N -1 3 341.432 3.849 20 0 EHADHM O=C(NCCCOc1ccc(F)cc1)c1cc2sccc2c([O-])c1 ZINC000788291277 1134109254 /nfs/dbraw/zinc/10/92/54/1134109254.db2.gz BGKZYRXKUVRANQ-UHFFFAOYSA-N -1 3 345.395 3.945 20 0 EHADHM O=C([N-]c1cc(-c2cccs2)no1)Nc1ccc2c(c1)OCCO2 ZINC001185937705 1134148956 /nfs/dbraw/zinc/14/89/56/1134148956.db2.gz PDIFPCFPGPDHAJ-UHFFFAOYSA-N -1 3 343.364 3.818 20 0 EHADHM CCC1CCC(C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC001185958180 1134154903 /nfs/dbraw/zinc/15/49/03/1134154903.db2.gz YYVCHJDXYQWXEM-UHFFFAOYSA-N -1 3 335.391 3.599 20 0 EHADHM CC1(C)CCC(CC(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)CC1 ZINC001185974984 1134156663 /nfs/dbraw/zinc/15/66/63/1134156663.db2.gz IHIYJJZWZCHBSV-UHFFFAOYSA-N -1 3 329.400 3.586 20 0 EHADHM O=C(NCCc1ccc(F)cc1)Nc1c([O-])cccc1C(F)(F)F ZINC001186283205 1134192954 /nfs/dbraw/zinc/19/29/54/1134192954.db2.gz MOIFSEJGFWYPMP-UHFFFAOYSA-N -1 3 342.292 3.914 20 0 EHADHM CC(=O)c1cccc([O-])c1NC(=O)[C@H]1CC(=O)c2cc(Cl)ccc21 ZINC001186251612 1134193341 /nfs/dbraw/zinc/19/33/41/1134193341.db2.gz LYDIMXZYEWAJQV-AWEZNQCLSA-N -1 3 343.766 3.557 20 0 EHADHM O=S(=O)([N-]Cc1c(Cl)ccc(Cl)c1Cl)c1ccco1 ZINC001186875038 1134265412 /nfs/dbraw/zinc/26/54/12/1134265412.db2.gz MTEYPFUCGPSYGI-UHFFFAOYSA-N -1 3 340.615 3.718 20 0 EHADHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2Cc2ccccc2)sc1Cl ZINC001187071321 1134292614 /nfs/dbraw/zinc/29/26/14/1134292614.db2.gz DUBOODAUFRGXGM-CHWSQXEVSA-N -1 3 341.885 3.619 20 0 EHADHM Cc1cccc([N-]S(=O)(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c1 ZINC001187422412 1134333842 /nfs/dbraw/zinc/33/38/42/1134333842.db2.gz JTBMQTGVUDDGIN-UHFFFAOYSA-N -1 3 347.436 3.747 20 0 EHADHM O=C(Nc1cccc(Br)c1)Nc1ccc(F)c([O-])c1 ZINC001187465527 1134337611 /nfs/dbraw/zinc/33/76/11/1134337611.db2.gz VQTDUJPAVPIUSZ-UHFFFAOYSA-N -1 3 325.137 3.938 20 0 EHADHM COC(=O)c1ccc(NC(=O)Nc2ccc(F)c(Cl)c2)c([O-])c1 ZINC001187700297 1134370349 /nfs/dbraw/zinc/37/03/49/1134370349.db2.gz YLLMKATXXOAEIU-UHFFFAOYSA-N -1 3 338.722 3.615 20 0 EHADHM COc1ccc(Cl)cc1NC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001187928888 1134402032 /nfs/dbraw/zinc/40/20/32/1134402032.db2.gz ZSNWZPYHHUJFHV-UHFFFAOYSA-N -1 3 334.759 3.901 20 0 EHADHM CCOC(=O)c1nc(C)oc1[N-]C(=O)Nc1ccc(SC)cc1 ZINC001188084560 1134425667 /nfs/dbraw/zinc/42/56/67/1134425667.db2.gz GSFHKFRJRIJPGH-UHFFFAOYSA-N -1 3 335.385 3.526 20 0 EHADHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1cccc(C(C)(C)C)c1 ZINC001188983676 1134528042 /nfs/dbraw/zinc/52/80/42/1134528042.db2.gz SXETYBHKDOOVCM-UHFFFAOYSA-N -1 3 345.370 3.868 20 0 EHADHM O=C(Nc1ccc(N2CCCC2)cn1)c1cc2sccc2c([O-])c1 ZINC000791390997 1134542259 /nfs/dbraw/zinc/54/22/59/1134542259.db2.gz NVYRAUWKPRWCPT-UHFFFAOYSA-N -1 3 339.420 3.854 20 0 EHADHM O=C(NCc1ncccc1[O-])Nc1ccc(Cl)cc1C(F)(F)F ZINC001189132469 1134546937 /nfs/dbraw/zinc/54/69/37/1134546937.db2.gz WDUBUVLIXSVZGA-UHFFFAOYSA-N -1 3 345.708 3.781 20 0 EHADHM O=S(=O)(Cc1ccc(F)c(F)c1)[N-]c1cccc(Cl)c1F ZINC001189310299 1134568291 /nfs/dbraw/zinc/56/82/91/1134568291.db2.gz NCLJYVVGTPWUAN-UHFFFAOYSA-N -1 3 335.734 3.699 20 0 EHADHM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1cccc2ccc(O)cc21 ZINC001189688640 1134611361 /nfs/dbraw/zinc/61/13/61/1134611361.db2.gz QWZLKPRVIQOZMF-UHFFFAOYSA-N -1 3 349.358 3.766 20 0 EHADHM Cc1cc(O)cc(C)c1NC(=O)c1cccc(OC(F)(F)F)c1[O-] ZINC001189766007 1134624813 /nfs/dbraw/zinc/62/48/13/1134624813.db2.gz HGTZBRDNWWLWOA-UHFFFAOYSA-N -1 3 341.285 3.866 20 0 EHADHM C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)[C@@H](O)c1ccc(F)cc1 ZINC000792241110 1134670780 /nfs/dbraw/zinc/67/07/80/1134670780.db2.gz JGURJZJKPSDBTI-HXPMCKFVSA-N -1 3 339.366 3.536 20 0 EHADHM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1ccc(C2CC2)cc1 ZINC001190501124 1134706492 /nfs/dbraw/zinc/70/64/92/1134706492.db2.gz WSUUZMHBGUAUQE-UHFFFAOYSA-N -1 3 327.327 3.782 20 0 EHADHM Cc1c[nH]c(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2[O-])c1C ZINC001191159721 1134805605 /nfs/dbraw/zinc/80/56/05/1134805605.db2.gz GZTHAVSSWUDUOD-UHFFFAOYSA-N -1 3 330.384 3.545 20 0 EHADHM Cc1c[nH]c(=O)c([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)c1 ZINC001191729105 1134906455 /nfs/dbraw/zinc/90/64/55/1134906455.db2.gz VNUGECPCWMDJKG-UHFFFAOYSA-N -1 3 347.223 3.512 20 0 EHADHM Cc1c(Cl)ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](F)C2)c1Cl ZINC001191760661 1134909437 /nfs/dbraw/zinc/90/94/37/1134909437.db2.gz PHRZGPLHZZKAJJ-NXEZZACHSA-N -1 3 340.247 3.861 20 0 EHADHM O=C(CCC1CCCCC1)[N-]OCc1cccc(Br)n1 ZINC000793836241 1134994695 /nfs/dbraw/zinc/99/46/95/1134994695.db2.gz SUXOOPDVOQHASJ-UHFFFAOYSA-N -1 3 341.249 3.752 20 0 EHADHM Cc1ccc([O-])c(NC(=O)Nc2ccc(OC(F)F)c(Cl)c2)n1 ZINC001192291725 1134995606 /nfs/dbraw/zinc/99/56/06/1134995606.db2.gz XQQBHIVSCZCGCX-UHFFFAOYSA-N -1 3 343.717 3.994 20 0 EHADHM CC(C)(C)c1ccc(C(=O)N2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c([O-])c1 ZINC001192324972 1134999286 /nfs/dbraw/zinc/99/92/86/1134999286.db2.gz GPFCFMTWRCXAPV-ROUUACIJSA-N -1 3 349.430 3.742 20 0 EHADHM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC001192356011 1135004091 /nfs/dbraw/zinc/00/40/91/1135004091.db2.gz MXWBZADRMBQOHK-UHFFFAOYSA-N -1 3 335.187 3.637 20 0 EHADHM O=c1[n-]c(NC2CCN(CC(F)(F)F)CC2)c(Cl)cc1Cl ZINC001170440185 1135004457 /nfs/dbraw/zinc/00/44/57/1135004457.db2.gz LLIZDPVTHIXFJL-UHFFFAOYSA-N -1 3 344.164 3.533 20 0 EHADHM Cc1ccc(OC(F)F)c(CSCc2nc(C)cc(=O)[n-]2)c1 ZINC000793950935 1135006718 /nfs/dbraw/zinc/00/67/18/1135006718.db2.gz IVYCDXYZCKCFBK-UHFFFAOYSA-N -1 3 326.368 3.834 20 0 EHADHM Cc1cc(F)c([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)cc1Cl ZINC001192571851 1135039036 /nfs/dbraw/zinc/03/90/36/1135039036.db2.gz NIAMJVIRVRJXLA-UHFFFAOYSA-N -1 3 349.214 3.945 20 0 EHADHM O=C(Nc1cc(Br)ccc1[O-])N[C@@H]1CCc2ccccc21 ZINC001192990062 1135081923 /nfs/dbraw/zinc/08/19/23/1135081923.db2.gz VJKOWQUNPSOWAR-CYBMUJFWSA-N -1 3 347.212 3.964 20 0 EHADHM Cc1ccc([C@@H](O)[C@H](C)NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000804485990 1135086335 /nfs/dbraw/zinc/08/63/35/1135086335.db2.gz ZBCDAGRVNAIXSE-XOBRGWDASA-N -1 3 335.403 3.706 20 0 EHADHM Cc1cc(O)cc([O-])c1C(=O)N1CCC[C@@H]1c1cc2ccccc2[nH]1 ZINC001193928788 1135199972 /nfs/dbraw/zinc/19/99/72/1135199972.db2.gz FVRSGKUXQAHXTA-QGZVFWFLSA-N -1 3 336.391 3.865 20 0 EHADHM Cc1cc(O)cc([O-])c1C(=O)N[C@@H](C)c1ccccc1C(F)(F)F ZINC001193946732 1135211725 /nfs/dbraw/zinc/21/17/25/1135211725.db2.gz ZGXGDKHKNHBGRZ-JTQLQIEISA-N -1 3 339.313 3.916 20 0 EHADHM COC(=O)Nc1ccc(C(=O)OCCc2ccccc2Cl)cc1[O-] ZINC000805481956 1135276871 /nfs/dbraw/zinc/27/68/71/1135276871.db2.gz SSZLRCYBVFMEIE-UHFFFAOYSA-N -1 3 349.770 3.623 20 0 EHADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1cc(Cl)cnc1Cl ZINC001194605745 1135292025 /nfs/dbraw/zinc/29/20/25/1135292025.db2.gz UGCQFBDEHMQEHR-UHFFFAOYSA-N -1 3 331.224 3.806 20 0 EHADHM O=C(Nc1ccc(-c2cccnc2)cc1)c1cnc(C(F)(F)F)[n-]1 ZINC001194782800 1135315624 /nfs/dbraw/zinc/31/56/24/1135315624.db2.gz WKVLSDBIKJPFHI-UHFFFAOYSA-N -1 3 332.285 3.743 20 0 EHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3ncoc3c2)c(C)c1C ZINC001194835434 1135328575 /nfs/dbraw/zinc/32/85/75/1135328575.db2.gz IVQGNKWPWDHPJS-UHFFFAOYSA-N -1 3 346.408 3.562 20 0 EHADHM CC(C)Oc1cccc(F)c1[N-]S(=O)(=O)CC[Si](C)(C)C ZINC001195080681 1135365946 /nfs/dbraw/zinc/36/59/46/1135365946.db2.gz GKRRWTOXVPJFTN-UHFFFAOYSA-N -1 3 333.501 3.693 20 0 EHADHM CC(=O)c1ccc(NC(=S)Nc2c([O-])cccc2C(C)=O)cc1 ZINC001196562404 1135581157 /nfs/dbraw/zinc/58/11/57/1135581157.db2.gz OSNLEHXDLWAPEX-UHFFFAOYSA-N -1 3 328.393 3.606 20 0 EHADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2C)c(C)c1 ZINC001196879878 1135621141 /nfs/dbraw/zinc/62/11/41/1135621141.db2.gz MGPQZBNJBRVBBY-UHFFFAOYSA-N -1 3 341.379 3.699 20 0 EHADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)c(C)c1 ZINC001196888728 1135622092 /nfs/dbraw/zinc/62/20/92/1135622092.db2.gz VLYZTYAFTGBOQL-UHFFFAOYSA-N -1 3 331.437 3.990 20 0 EHADHM COc1cccc2c(C(=O)O[C@@H](C)c3nc4ccccc4o3)n[n-]c21 ZINC000808674536 1135714587 /nfs/dbraw/zinc/71/45/87/1135714587.db2.gz JCBIPIMODICJNK-JTQLQIEISA-N -1 3 337.335 3.631 20 0 EHADHM COc1cccc2c1n[n-]c2C(=O)O[C@@H](C)c1nc2ccccc2o1 ZINC000808674536 1135714592 /nfs/dbraw/zinc/71/45/92/1135714592.db2.gz JCBIPIMODICJNK-JTQLQIEISA-N -1 3 337.335 3.631 20 0 EHADHM CCOc1c(Cl)cc(NC([O-])=NO[C@H]2CCCCO2)cc1Cl ZINC000775788176 1135737720 /nfs/dbraw/zinc/73/77/20/1135737720.db2.gz DOMNHRSKNXHDHN-LBPRGKRZSA-N -1 3 349.214 3.972 20 0 EHADHM CCOc1c(Cl)cc(NC(=O)[N-]O[C@H]2CCCCO2)cc1Cl ZINC000775788176 1135737723 /nfs/dbraw/zinc/73/77/23/1135737723.db2.gz DOMNHRSKNXHDHN-LBPRGKRZSA-N -1 3 349.214 3.972 20 0 EHADHM COc1ccc(S(=O)(=O)[N-]c2ccc3ccc(O)cc3c2)c(C)c1 ZINC001198940044 1135868242 /nfs/dbraw/zinc/86/82/42/1135868242.db2.gz QRUQSLNWROORBO-UHFFFAOYSA-N -1 3 343.404 3.663 20 0 EHADHM CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)cc1 ZINC000005336177 1135956487 /nfs/dbraw/zinc/95/64/87/1135956487.db2.gz RRBWZUAVNZJEBR-UHFFFAOYSA-N -1 3 345.251 3.939 20 0 EHADHM Cc1sc2[n-]c([C@@H](C)OC(=O)CC3CCCC3)nc(=O)c2c1C ZINC000005355747 1135956820 /nfs/dbraw/zinc/95/68/20/1135956820.db2.gz QNJMKQASAYYOMJ-SNVBAGLBSA-N -1 3 334.441 3.786 20 0 EHADHM COc1ccc(NC(=S)Nc2ccc([O-])c(Cl)c2)cc1OC ZINC001201067426 1135979115 /nfs/dbraw/zinc/97/91/15/1135979115.db2.gz SBIFDFMGARCKIF-UHFFFAOYSA-N -1 3 338.816 3.872 20 0 EHADHM O=c1cc(NC(=S)Nc2cc(Cl)ccc2Cl)[nH]c(=S)[n-]1 ZINC001201074894 1135985448 /nfs/dbraw/zinc/98/54/48/1135985448.db2.gz WJTDHJCRTQGGTM-UHFFFAOYSA-N -1 3 347.252 3.587 20 0 EHADHM O=C(COC(=O)c1cc2cc(Cl)sc2[n-]1)[C@@H]1Cc2ccccc21 ZINC000811393773 1136081948 /nfs/dbraw/zinc/08/19/48/1136081948.db2.gz RMQYRKCIKPWDOQ-GFCCVEGCSA-N -1 3 345.807 3.949 20 0 EHADHM C[C@H]1CN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c2ccccc21 ZINC000776335985 1136158322 /nfs/dbraw/zinc/15/83/22/1136158322.db2.gz IFYBVQAYQBQITF-JTQLQIEISA-N -1 3 340.329 3.570 20 0 EHADHM CC(C)OCCO[N-]C(=O)CCCc1cccc(C(F)(F)F)c1 ZINC000812806885 1136254288 /nfs/dbraw/zinc/25/42/88/1136254288.db2.gz TVNSVJLHNLFNJD-UHFFFAOYSA-N -1 3 333.350 3.501 20 0 EHADHM CC[C@H](NCc1sc(Sc2ccccc2)nc1Cl)C(=O)[O-] ZINC000813354950 1136322038 /nfs/dbraw/zinc/32/20/38/1136322038.db2.gz PVGJQTUPHZWJPA-JTQLQIEISA-N -1 3 342.873 3.901 20 0 EHADHM C[C@H](CC(=O)[O-])NCc1sc(Sc2ccccc2)nc1Cl ZINC000813354759 1136322211 /nfs/dbraw/zinc/32/22/11/1136322211.db2.gz CJIVDVQQNXCGPZ-SECBINFHSA-N -1 3 342.873 3.901 20 0 EHADHM Cc1noc(C)c1[N-]C(=O)c1nc(Br)sc1C1CC1 ZINC000813399751 1136327688 /nfs/dbraw/zinc/32/76/88/1136327688.db2.gz WVTFIACJYZBOSB-UHFFFAOYSA-N -1 3 342.218 3.640 20 0 EHADHM O=C(c1ccc(CNCc2cccc([O-])c2Cl)cc1)N1CCCC1 ZINC000815112825 1136550039 /nfs/dbraw/zinc/55/00/39/1136550039.db2.gz DIFRZINNDFVEHA-UHFFFAOYSA-N -1 3 344.842 3.571 20 0 EHADHM Cc1ccc2c(c1)SCCCN2C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000854515799 1136623054 /nfs/dbraw/zinc/62/30/54/1136623054.db2.gz YFVFFNYCGNKFCH-UHFFFAOYSA-N -1 3 341.436 3.511 20 0 EHADHM CCc1cccc(C(=O)N(CC)[C@@H](C)[C@H](O)c2ccccc2)c1[O-] ZINC000854559535 1136626397 /nfs/dbraw/zinc/62/63/97/1136626397.db2.gz CVWUKUXCYHVHDD-KSSFIOAISA-N -1 3 327.424 3.539 20 0 EHADHM COC(=O)c1cc(C(=O)O[C@H](C)c2oc3ccccc3c2C)c[n-]1 ZINC000815928335 1136649824 /nfs/dbraw/zinc/64/98/24/1136649824.db2.gz GLEVVASVLRKYFX-LLVKDONJSA-N -1 3 327.336 3.774 20 0 EHADHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc(C(C)C)c2)c([O-])c1 ZINC001135327704 1136663589 /nfs/dbraw/zinc/66/35/89/1136663589.db2.gz OOUIMQIUFWOKBK-UHFFFAOYSA-N -1 3 340.423 3.583 20 0 EHADHM CC(C)Cc1nsc(NC(=O)c2cc3sccc3c([O-])c2)n1 ZINC000855706336 1136720137 /nfs/dbraw/zinc/72/01/37/1136720137.db2.gz DVBJLVYYQJVYBO-UHFFFAOYSA-N -1 3 333.438 3.909 20 0 EHADHM [O-]c1ccc(F)c(CNC[C@@H](O)c2ccc(Cl)cc2Cl)c1F ZINC000816550634 1136733037 /nfs/dbraw/zinc/73/30/37/1136733037.db2.gz XDPILNYFLAEWGH-CQSZACIVSA-N -1 3 348.176 3.800 20 0 EHADHM CCc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2[O-])N(C)C)cc1 ZINC001135926314 1136815884 /nfs/dbraw/zinc/81/58/84/1136815884.db2.gz HFIJUFMOZRTNBZ-KRWDZBQOSA-N -1 3 346.858 3.641 20 0 EHADHM CC(C)Cc1cc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)n(C)n1 ZINC000857087053 1136843087 /nfs/dbraw/zinc/84/30/87/1136843087.db2.gz HTKPBKJLZNYYLT-UHFFFAOYSA-N -1 3 341.333 3.595 20 0 EHADHM CCCCCN(Cc1ccc(F)cc1)C(=O)c1ccc(N)cc1[O-] ZINC000817906522 1136845268 /nfs/dbraw/zinc/84/52/68/1136845268.db2.gz CXXAYSNHKZGNDA-UHFFFAOYSA-N -1 3 330.403 3.946 20 0 EHADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1ccc(N)cc1[O-] ZINC000817952994 1136850850 /nfs/dbraw/zinc/85/08/50/1136850850.db2.gz KAUKPJYCRRSZQU-NWDGAFQWSA-N -1 3 332.831 3.892 20 0 EHADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)C1CC2(CC2(F)F)C1 ZINC000857189397 1136851830 /nfs/dbraw/zinc/85/18/30/1136851830.db2.gz DLFXYIAESMETMI-UHFFFAOYSA-N -1 3 344.321 3.592 20 0 EHADHM O=C(NCCc1cc2ccccc2s1)c1nnc2ccccc2c1[O-] ZINC000818270088 1136869297 /nfs/dbraw/zinc/86/92/97/1136869297.db2.gz AGKSPUCBPYJKOY-UHFFFAOYSA-N -1 3 349.415 3.523 20 0 EHADHM CC[C@H](C)c1ccc(NC(=O)CN2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000818328323 1136870737 /nfs/dbraw/zinc/87/07/37/1136870737.db2.gz AMDYBBHUFRDWAY-YJBOKZPZSA-N -1 3 346.471 3.858 20 0 EHADHM CC1(C)COC[C@@H]1[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000857529703 1136880644 /nfs/dbraw/zinc/88/06/44/1136880644.db2.gz WHJXGOHRLSOIMG-JTQLQIEISA-N -1 3 338.181 3.626 20 0 EHADHM CC1(C)COC[C@H]1[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000857529704 1136880691 /nfs/dbraw/zinc/88/06/91/1136880691.db2.gz WHJXGOHRLSOIMG-SNVBAGLBSA-N -1 3 338.181 3.626 20 0 EHADHM COc1csc(C(=O)[N-]c2c3nsnc3ccc2Cl)c1 ZINC000776962014 1136906828 /nfs/dbraw/zinc/90/68/28/1136906828.db2.gz HNCAKUVEFMWPJS-UHFFFAOYSA-N -1 3 325.802 3.667 20 0 EHADHM O=S(=O)([N-]c1cnc(Cl)cc1Cl)c1ccc2c(c1)CCC2 ZINC000820799175 1137006789 /nfs/dbraw/zinc/00/67/89/1137006789.db2.gz CJTIVPQECMSYSZ-UHFFFAOYSA-N -1 3 343.235 3.678 20 0 EHADHM O=C([N-]c1nnc(CC(F)(F)F)s1)c1sccc1C(F)F ZINC000821037542 1137014960 /nfs/dbraw/zinc/01/49/60/1137014960.db2.gz UHRKSOQFAXEEHZ-UHFFFAOYSA-N -1 3 343.302 3.894 20 0 EHADHM Cc1nn(C(C)C)cc1CN[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000859810387 1137031684 /nfs/dbraw/zinc/03/16/84/1137031684.db2.gz MWSYYUPKXAONNK-IBGZPJMESA-N -1 3 337.423 3.841 20 0 EHADHM O=C(NCc1ccc(Oc2ccccc2)cc1)c1ccc(O)cc1[O-] ZINC001136541267 1137048974 /nfs/dbraw/zinc/04/89/74/1137048974.db2.gz UGZWMKKKJMEKMA-UHFFFAOYSA-N -1 3 335.359 3.820 20 0 EHADHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000860312683 1137054664 /nfs/dbraw/zinc/05/46/64/1137054664.db2.gz MJZYFYALTRQFRQ-IXDOHACOSA-N -1 3 347.336 3.839 20 0 EHADHM Cc1cc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)ccc1F ZINC001136609460 1137067988 /nfs/dbraw/zinc/06/79/88/1137067988.db2.gz MBTKIZZZNDMGCJ-UHFFFAOYSA-N -1 3 332.281 3.506 20 0 EHADHM O=C([N-]O[C@@H]1CCCCO1)[C@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC000822917383 1137079158 /nfs/dbraw/zinc/07/91/58/1137079158.db2.gz BMPDOWCFDWZIIL-CORIIIEPSA-N -1 3 327.783 3.547 20 0 EHADHM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC000822917389 1137079162 /nfs/dbraw/zinc/07/91/62/1137079162.db2.gz BMPDOWCFDWZIIL-UXIGCNINSA-N -1 3 327.783 3.547 20 0 EHADHM CC(C)c1csc([N-]C(=O)c2noc(-c3ccc(F)cc3)n2)n1 ZINC001136781421 1137114136 /nfs/dbraw/zinc/11/41/36/1137114136.db2.gz PGUSEKKAVPEEQL-UHFFFAOYSA-N -1 3 332.360 3.708 20 0 EHADHM CC[C@@H](C)c1ccc(C(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000824154261 1137127112 /nfs/dbraw/zinc/12/71/12/1137127112.db2.gz LDWRZJSEIFRCOI-GFCCVEGCSA-N -1 3 327.428 3.669 20 0 EHADHM Cc1ncc(S(=O)(=O)[N-][C@@H](C)c2cc3ccccc3s2)s1 ZINC000339043872 1137156634 /nfs/dbraw/zinc/15/66/34/1137156634.db2.gz YJPOCGOWHGFTKC-VIFPVBQESA-N -1 3 338.479 3.706 20 0 EHADHM O=C(C=CC1CCCCCC1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000825304664 1137172319 /nfs/dbraw/zinc/17/23/19/1137172319.db2.gz FZFXBZRUMHUECR-ZHACJKMWSA-N -1 3 329.444 3.593 20 0 EHADHM O=C(c1[n-]cnc1C(F)(F)F)N1CC2(CCC2)c2c1cccc2F ZINC000825347433 1137173889 /nfs/dbraw/zinc/17/38/89/1137173889.db2.gz MPGXRRVDDVCYQD-UHFFFAOYSA-N -1 3 339.292 3.650 20 0 EHADHM O=C(c1nc[n-]c1C(F)(F)F)N1CC2(CCC2)c2c1cccc2F ZINC000825347433 1137173890 /nfs/dbraw/zinc/17/38/90/1137173890.db2.gz MPGXRRVDDVCYQD-UHFFFAOYSA-N -1 3 339.292 3.650 20 0 EHADHM O=C(NC[C@@H]1CC=CC[C@H]1C(F)(F)F)c1cc([O-])ccc1Cl ZINC000825492746 1137179576 /nfs/dbraw/zinc/17/95/76/1137179576.db2.gz VTZLAKGZRISCJJ-JOYOIKCWSA-N -1 3 333.737 3.920 20 0 EHADHM Cc1cccc(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)c1[O-] ZINC000844003735 1137193808 /nfs/dbraw/zinc/19/38/08/1137193808.db2.gz LDYBIBRDBJTKOF-UHFFFAOYSA-N -1 3 344.798 3.733 20 0 EHADHM CC1(C)CCC[C@H]1[C@@H]1CCN(C(=O)c2nnc3ccccc3c2[O-])C1 ZINC000844035050 1137195219 /nfs/dbraw/zinc/19/52/19/1137195219.db2.gz VAKVFZAIOHDCGH-HIFRSBDPSA-N -1 3 339.439 3.624 20 0 EHADHM CC(C)c1ncc([N-]S(=O)(=O)/C=C\c2ccccc2Cl)cn1 ZINC000794616519 1137221091 /nfs/dbraw/zinc/22/10/91/1137221091.db2.gz MAINBBITNDPAPG-FPLPWBNLSA-N -1 3 337.832 3.666 20 0 EHADHM Cc1cc(Br)c2c(c1)CCN(CCC(C)(C)C(=O)[O-])C2 ZINC000864359938 1137223522 /nfs/dbraw/zinc/22/35/22/1137223522.db2.gz AMRGVOWLAKTRLC-UHFFFAOYSA-N -1 3 340.261 3.617 20 0 EHADHM O=C([O-])CCc1cccc(CNCc2ccc(OC(F)F)cc2)c1 ZINC000864518126 1137231601 /nfs/dbraw/zinc/23/16/01/1137231601.db2.gz UTOJFHQOARAGGM-UHFFFAOYSA-N -1 3 335.350 3.595 20 0 EHADHM COc1ccc(CNCc2cccc(CCC(=O)[O-])c2)cc1Cl ZINC000864517456 1137231673 /nfs/dbraw/zinc/23/16/73/1137231673.db2.gz FHKDSVZXYCWVIU-UHFFFAOYSA-N -1 3 333.815 3.656 20 0 EHADHM CC[C@H](C(=O)[O-])N(C)Cc1cc2ccc(SC)cc2nc1Cl ZINC000844839713 1137258956 /nfs/dbraw/zinc/25/89/56/1137258956.db2.gz SQCBHJIERLRSIH-CQSZACIVSA-N -1 3 338.860 3.905 20 0 EHADHM CC(C)c1nn(C)cc1[N-]S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000794884596 1137320866 /nfs/dbraw/zinc/32/08/66/1137320866.db2.gz TYWVSLSRIXKROK-BQYQJAHWSA-N -1 3 339.848 3.610 20 0 EHADHM O=C(CC1Cc2ccccc2C1)Nc1cc(Br)ccc1[O-] ZINC001146800929 1137395372 /nfs/dbraw/zinc/39/53/72/1137395372.db2.gz GVEZLBNXWHJSTC-UHFFFAOYSA-N -1 3 346.224 3.898 20 0 EHADHM Cc1cccc([O-])c1C(=O)N1CCOc2ccc(Br)cc21 ZINC001146994788 1137398187 /nfs/dbraw/zinc/39/81/87/1137398187.db2.gz ZYCQEDIXJJOPDK-UHFFFAOYSA-N -1 3 348.196 3.502 20 0 EHADHM COc1cccc2c1C[C@H](Nc1[n-]c(=O)c(Cl)cc1Cl)CO2 ZINC001171312986 1137411021 /nfs/dbraw/zinc/41/10/21/1137411021.db2.gz SAVIAAHFQVHIKN-QMMMGPOBSA-N -1 3 341.194 3.518 20 0 EHADHM CCC[C@H](CCc1ccccc1)NC(=O)c1ccc(OC)cc1[O-] ZINC001147815611 1137413158 /nfs/dbraw/zinc/41/31/58/1137413158.db2.gz VMSCNNXJYAZRAA-MRXNPFEDSA-N -1 3 327.424 3.932 20 0 EHADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC000868568764 1137414359 /nfs/dbraw/zinc/41/43/59/1137414359.db2.gz YUIYSQROOYLRRR-CJNGLKHVSA-N -1 3 331.799 3.774 20 0 EHADHM Cc1c(Br)ccc([O-])c1NC(=O)C1CC2(CSC2)C1 ZINC000868627165 1137417170 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Fc1ccc2c(c1)[C@H](Nc1ccc(-c3nnn[n-]3)c(Cl)c1)CCO2 ZINC000737667362 598674629 /nfs/dbraw/zinc/67/46/29/598674629.db2.gz PPWWRVVWHHRWSN-CQSZACIVSA-N -1 3 345.765 3.595 20 0 EHADHM Fc1ccc2c(c1)[C@H](Nc1ccc(-c3nn[n-]n3)c(Cl)c1)CCO2 ZINC000737667362 598674631 /nfs/dbraw/zinc/67/46/31/598674631.db2.gz PPWWRVVWHHRWSN-CQSZACIVSA-N -1 3 345.765 3.595 20 0 EHADHM CC(C)c1ccccc1OCCNc1cccc(F)c1-c1nnn[n-]1 ZINC000735932655 598680907 /nfs/dbraw/zinc/68/09/07/598680907.db2.gz OWHFGNFDUWSLCJ-UHFFFAOYSA-N -1 3 341.390 3.620 20 0 EHADHM CC(C)c1ccccc1OCCNc1cccc(F)c1-c1nn[n-]n1 ZINC000735932655 598680910 /nfs/dbraw/zinc/68/09/10/598680910.db2.gz OWHFGNFDUWSLCJ-UHFFFAOYSA-N -1 3 341.390 3.620 20 0 EHADHM Fc1ccc(CSC/C=C/c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000737651966 598695687 /nfs/dbraw/zinc/69/56/87/598695687.db2.gz ZSQIBCPLQRASRD-QPJJXVBHSA-N -1 3 326.400 3.952 20 0 EHADHM Fc1ccc(CSC/C=C/c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000737651966 598695689 /nfs/dbraw/zinc/69/56/89/598695689.db2.gz ZSQIBCPLQRASRD-QPJJXVBHSA-N -1 3 326.400 3.952 20 0 EHADHM CC(C)c1noc([C@@H](C)S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000735953617 599324888 /nfs/dbraw/zinc/32/48/88/599324888.db2.gz XCKOSLUYMZRNCB-GHMZBOCLSA-N -1 3 344.444 3.929 20 0 EHADHM CC(C)c1noc([C@@H](C)S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000735953617 599324891 /nfs/dbraw/zinc/32/48/91/599324891.db2.gz XCKOSLUYMZRNCB-GHMZBOCLSA-N -1 3 344.444 3.929 20 0 EHADHM CCOC(=O)CCCCCS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736592365 599328771 /nfs/dbraw/zinc/32/87/71/599328771.db2.gz OYACTFQLCVNKQQ-ZDUSSCGKSA-N -1 3 348.472 3.784 20 0 EHADHM CCOC(=O)CCCCCS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736592365 599328775 /nfs/dbraw/zinc/32/87/75/599328775.db2.gz OYACTFQLCVNKQQ-ZDUSSCGKSA-N -1 3 348.472 3.784 20 0 EHADHM c1ccc(CCOCCCSc2ccccc2-c2nnn[n-]2)cc1 ZINC000823779454 599343647 /nfs/dbraw/zinc/34/36/47/599343647.db2.gz DLGDKAPYITVLOX-UHFFFAOYSA-N -1 3 340.452 3.608 20 0 EHADHM c1ccc(CCOCCCSc2ccccc2-c2nn[n-]n2)cc1 ZINC000823779454 599343649 /nfs/dbraw/zinc/34/36/49/599343649.db2.gz DLGDKAPYITVLOX-UHFFFAOYSA-N -1 3 340.452 3.608 20 0 EHADHM C[C@@H](N[C@H](c1ccco1)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820410807 599364741 /nfs/dbraw/zinc/36/47/41/599364741.db2.gz HAKQZVDKJNMDKJ-KUHUBIRLSA-N -1 3 345.406 3.900 20 0 EHADHM C[C@H](Nc1cccc(OC(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820461846 599367546 /nfs/dbraw/zinc/36/75/46/599367546.db2.gz RPPIZOBWPLHQHE-JTQLQIEISA-N -1 3 331.326 3.641 20 0 EHADHM C[C@H](Nc1cccc(OC(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461846 599367549 /nfs/dbraw/zinc/36/75/49/599367549.db2.gz RPPIZOBWPLHQHE-JTQLQIEISA-N -1 3 331.326 3.641 20 0 EHADHM CSCc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821970514 599376185 /nfs/dbraw/zinc/37/61/85/599376185.db2.gz OUWVDABZCCNDCR-LBPRGKRZSA-N -1 3 325.441 3.903 20 0 EHADHM CSCc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821970514 599376187 /nfs/dbraw/zinc/37/61/87/599376187.db2.gz OUWVDABZCCNDCR-LBPRGKRZSA-N -1 3 325.441 3.903 20 0 EHADHM CC(C)Oc1ccc(NCc2cccc(F)c2F)cc1-c1nnn[n-]1 ZINC000820174797 607372855 /nfs/dbraw/zinc/37/28/55/607372855.db2.gz YBWGZIAXCYHTGP-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM CC(C)Oc1ccc(NCc2cccc(F)c2F)cc1-c1nn[n-]n1 ZINC000820174797 607372858 /nfs/dbraw/zinc/37/28/58/607372858.db2.gz YBWGZIAXCYHTGP-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM Fc1cccc(Cl)c1CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737659946 599420862 /nfs/dbraw/zinc/42/08/62/599420862.db2.gz GMCWJUDVTVICNS-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM Fc1cccc(Cl)c1CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737659946 599420863 /nfs/dbraw/zinc/42/08/63/599420863.db2.gz GMCWJUDVTVICNS-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM CS[C@@H]1CCC[C@H](Nc2cc(-c3nnn[n-]3)c3ccccc3n2)C1 ZINC000737182277 599441864 /nfs/dbraw/zinc/44/18/64/599441864.db2.gz YRTCHQJFKKMERT-NWDGAFQWSA-N -1 3 340.456 3.501 20 0 EHADHM CS[C@@H]1CCC[C@H](Nc2cc(-c3nn[n-]n3)c3ccccc3n2)C1 ZINC000737182277 599441866 /nfs/dbraw/zinc/44/18/66/599441866.db2.gz YRTCHQJFKKMERT-NWDGAFQWSA-N -1 3 340.456 3.501 20 0 EHADHM Cc1[nH]c2ccc(CNc3ccc(F)cc3-c3nnn[n-]3)cc2c1C ZINC000822009875 599495910 /nfs/dbraw/zinc/49/59/10/599495910.db2.gz GDNOVASQYPFPTQ-UHFFFAOYSA-N -1 3 336.374 3.716 20 0 EHADHM Cc1[nH]c2ccc(CNc3ccc(F)cc3-c3nn[n-]n3)cc2c1C ZINC000822009875 599495911 /nfs/dbraw/zinc/49/59/11/599495911.db2.gz GDNOVASQYPFPTQ-UHFFFAOYSA-N -1 3 336.374 3.716 20 0 EHADHM CC1(C)CCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CC1 ZINC000820595413 599517919 /nfs/dbraw/zinc/51/79/19/599517919.db2.gz INMMGYIMKNOBBA-UHFFFAOYSA-N -1 3 342.834 3.695 20 0 EHADHM CC1(C)CCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CC1 ZINC000820595413 599517921 /nfs/dbraw/zinc/51/79/21/599517921.db2.gz INMMGYIMKNOBBA-UHFFFAOYSA-N -1 3 342.834 3.695 20 0 EHADHM C[C@H](CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000820321687 599533001 /nfs/dbraw/zinc/53/30/01/599533001.db2.gz KWZGDICWNFKTIY-KGLIPLIRSA-N -1 3 341.459 3.650 20 0 EHADHM C[C@H](CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000820321687 599533004 /nfs/dbraw/zinc/53/30/04/599533004.db2.gz KWZGDICWNFKTIY-KGLIPLIRSA-N -1 3 341.459 3.650 20 0 EHADHM C[C@H](NC(=O)CC/C=C\c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820323031 599533363 /nfs/dbraw/zinc/53/33/63/599533363.db2.gz WJNXBYUKINQWIY-ANOSYLROSA-N -1 3 347.422 3.538 20 0 EHADHM C[C@H](NC(=O)CC/C=C\c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820323031 599533365 /nfs/dbraw/zinc/53/33/65/599533365.db2.gz WJNXBYUKINQWIY-ANOSYLROSA-N -1 3 347.422 3.538 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)CC/C=C\c1ccccc1 ZINC000737292619 599544859 /nfs/dbraw/zinc/54/48/59/599544859.db2.gz WLEDYEDJMVWXSZ-UITAMQMPSA-N -1 3 333.395 3.607 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)CC/C=C\c1ccccc1 ZINC000737292619 599544861 /nfs/dbraw/zinc/54/48/61/599544861.db2.gz WLEDYEDJMVWXSZ-UITAMQMPSA-N -1 3 333.395 3.607 20 0 EHADHM O=C([O-])c1sccc1NC(=O)CN[C@H](c1ccccc1)C1CCC1 ZINC000739307204 599793193 /nfs/dbraw/zinc/79/31/93/599793193.db2.gz JIGIQRASXRLXKV-MRXNPFEDSA-N -1 3 344.436 3.516 20 0 EHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000736714241 599867270 /nfs/dbraw/zinc/86/72/70/599867270.db2.gz FPPCWDLVWNPNEL-XIKOKIGWSA-N -1 3 347.386 3.624 20 0 EHADHM O=C([O-])c1ccc(-c2nc(CN3CCC[C@@H]3C3CC3)cs2)cc1 ZINC000740099370 599965079 /nfs/dbraw/zinc/96/50/79/599965079.db2.gz XDXHROJPHSIAIK-MRXNPFEDSA-N -1 3 328.437 3.883 20 0 EHADHM CC(C)N(Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)C1CCCCC1 ZINC000736475423 600098933 /nfs/dbraw/zinc/09/89/33/600098933.db2.gz YOUATJNANKMZDH-UHFFFAOYSA-N -1 3 343.427 3.577 20 0 EHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(c1ccccc1)C1CCCC1 ZINC000826244253 607432325 /nfs/dbraw/zinc/43/23/25/607432325.db2.gz LTYUXGHRMAYJDR-UHFFFAOYSA-N -1 3 347.422 3.765 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(c1ccccc1)C1CCCC1 ZINC000826244253 607432326 /nfs/dbraw/zinc/43/23/26/607432326.db2.gz LTYUXGHRMAYJDR-UHFFFAOYSA-N -1 3 347.422 3.765 20 0 EHADHM CC(=O)c1c(C)cc(C)c(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c1C ZINC000566357264 600307147 /nfs/dbraw/zinc/30/71/47/600307147.db2.gz NNKSBXHBHCUPQT-QGZVFWFLSA-N -1 3 329.440 3.501 20 0 EHADHM O=C([O-])[C@H](NCc1cccc(OC2CCCC2)c1)c1ccccc1 ZINC000262717223 600431619 /nfs/dbraw/zinc/43/16/19/600431619.db2.gz SNJLDEZMUDPCJP-LJQANCHMSA-N -1 3 325.408 3.924 20 0 EHADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(COc2ccccc2)CC1 ZINC000576590172 600540507 /nfs/dbraw/zinc/54/05/07/600540507.db2.gz RSNWZSZVYNJCMM-CQSZACIVSA-N -1 3 329.396 3.830 20 0 EHADHM Cc1ccc(Nc2nc(CN[C@](C)(C(=O)[O-])C3CC3)cs2)cc1 ZINC000832950514 601174175 /nfs/dbraw/zinc/17/41/75/601174175.db2.gz MQMJFIYSJYLERS-KRWDZBQOSA-N -1 3 331.441 3.538 20 0 EHADHM Cc1cc(CN(CCCO)[C@H]2CCCc3ccccc32)oc1C(=O)[O-] ZINC000832881429 601376156 /nfs/dbraw/zinc/37/61/56/601376156.db2.gz CFXMNKHLSMHEKL-SFHVURJKSA-N -1 3 343.423 3.548 20 0 EHADHM CCc1oc(C(=O)[O-])cc1CN1CCCO[C@H](c2ccccc2)C1 ZINC000830369981 601417030 /nfs/dbraw/zinc/41/70/30/601417030.db2.gz WRHCZVGLYYMXMW-SFHVURJKSA-N -1 3 329.396 3.504 20 0 EHADHM C[C@@H](C(=O)[O-])[C@@H](NCc1cc2c(c(Cl)c1)OCO2)c1ccccc1 ZINC000826054699 601652567 /nfs/dbraw/zinc/65/25/67/601652567.db2.gz PKOMHBDXTAMWDS-BDJLRTHQSA-N -1 3 347.798 3.620 20 0 EHADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)NCc1c[nH]c(C(=O)[O-])c1 ZINC000832992612 601832762 /nfs/dbraw/zinc/83/27/62/601832762.db2.gz PCRRTQZGANHANV-LLVKDONJSA-N -1 3 341.436 3.996 20 0 EHADHM COc1ccc(CSc2cccc3cccnc32)cc1-c1nnn[n-]1 ZINC000826207804 607542367 /nfs/dbraw/zinc/54/23/67/607542367.db2.gz FBYTXCYXTLAXRM-UHFFFAOYSA-N -1 3 349.419 3.716 20 0 EHADHM COc1ccc(CSc2cccc3cccnc32)cc1-c1nn[n-]n1 ZINC000826207804 607542369 /nfs/dbraw/zinc/54/23/69/607542369.db2.gz FBYTXCYXTLAXRM-UHFFFAOYSA-N -1 3 349.419 3.716 20 0 EHADHM O=C(CSc1ccc(F)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826421147 607657212 /nfs/dbraw/zinc/65/72/12/607657212.db2.gz ULJCTYIFCAUMSP-UHFFFAOYSA-N -1 3 348.790 3.634 20 0 EHADHM O=C(CSc1ccc(F)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826421147 607657213 /nfs/dbraw/zinc/65/72/13/607657213.db2.gz ULJCTYIFCAUMSP-UHFFFAOYSA-N -1 3 348.790 3.634 20 0 EHADHM CCOc1ccc(Cl)cc1[C@H](C)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000830080260 604287853 /nfs/dbraw/zinc/28/78/53/604287853.db2.gz HKIRAAQKVMCMLN-AAEUAGOBSA-N -1 3 326.824 3.532 20 0 EHADHM CCc1csc([C@H]2CCCN(Cc3ccc(C(=O)[O-])cc3F)C2)n1 ZINC000564738397 604753744 /nfs/dbraw/zinc/75/37/44/604753744.db2.gz ATMRGPXFDZRKBG-AWEZNQCLSA-N -1 3 348.443 3.922 20 0 EHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2ccc(Br)cc2)C1 ZINC000128467880 604936580 /nfs/dbraw/zinc/93/65/80/604936580.db2.gz DQEFVXLSWHUFTP-ZDUSSCGKSA-N -1 3 340.261 3.772 20 0 EHADHM C[C@@H](NCc1ccc(CCNC(=O)[O-])cc1)c1cc(F)cc(F)c1 ZINC000825502554 604941903 /nfs/dbraw/zinc/94/19/03/604941903.db2.gz JFCKJXPMLMCGQG-GFCCVEGCSA-N -1 3 334.366 3.626 20 0 EHADHM C[C@H](c1nc(-c2cccs2)no1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000652500014 604944699 /nfs/dbraw/zinc/94/46/99/604944699.db2.gz WVAUEZITIFNPAB-VXGBXAGGSA-N -1 3 349.456 3.682 20 0 EHADHM C[C@@H](c1nnc(-c2cccs2)o1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833550187 604946956 /nfs/dbraw/zinc/94/69/56/604946956.db2.gz KEQJCIBYNCKYQH-RYUDHWBXSA-N -1 3 349.456 3.682 20 0 EHADHM C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCC[C@@H](C(=O)[O-])C1 ZINC000565107059 605065782 /nfs/dbraw/zinc/06/57/82/605065782.db2.gz SXYCPEIGZSDAEN-DGCLKSJQSA-N -1 3 334.803 3.853 20 0 EHADHM CC(C)(NCc1ccc(C(=O)[O-])[nH]1)c1cccc(C(F)(F)F)c1 ZINC000833460747 605114965 /nfs/dbraw/zinc/11/49/65/605114965.db2.gz IMMKXKLPGJCXGM-UHFFFAOYSA-N -1 3 326.318 3.757 20 0 EHADHM C/C(=C\CN[C@H](Cc1ccc(Cl)cc1)c1ccccn1)C(=O)[O-] ZINC000833386599 605269471 /nfs/dbraw/zinc/26/94/71/605269471.db2.gz YNVFZTWQNWVSSK-JZUUQJBKSA-N -1 3 330.815 3.639 20 0 EHADHM O=C([O-])N[C@@H]1C[C@H](N[C@H]2CCc3cc(F)ccc32)c2ccccc21 ZINC000834158993 605798289 /nfs/dbraw/zinc/79/82/89/605798289.db2.gz NOLSCDVKFQQAKZ-OKZBNKHCSA-N -1 3 326.371 3.856 20 0 EHADHM O=C([O-])N[C@@H]1C[C@H](N[C@H]2CCCOc3ccccc32)c2ccccc21 ZINC000834160779 605798454 /nfs/dbraw/zinc/79/84/54/605798454.db2.gz WFQAXVLZUIRQAZ-OKZBNKHCSA-N -1 3 338.407 3.944 20 0 EHADHM COc1cccc2c1CC[C@@H]2N[C@@H]1C[C@H](NC(=O)[O-])c2ccccc21 ZINC000833890392 605801789 /nfs/dbraw/zinc/80/17/89/605801789.db2.gz AXPHMJRZHFZJHC-KSZLIROESA-N -1 3 338.407 3.726 20 0 EHADHM c1cc([C@H]2CCCN2c2nc3ccccc3cc2-c2nnn[n-]2)cs1 ZINC000823802072 606048736 /nfs/dbraw/zinc/04/87/36/606048736.db2.gz HLABMQZLSLLSRD-MRXNPFEDSA-N -1 3 348.435 3.818 20 0 EHADHM c1cc([C@H]2CCCN2c2nc3ccccc3cc2-c2nn[n-]n2)cs1 ZINC000823802072 606048741 /nfs/dbraw/zinc/04/87/41/606048741.db2.gz HLABMQZLSLLSRD-MRXNPFEDSA-N -1 3 348.435 3.818 20 0 EHADHM Fc1ccc2c(c1)[C@H](Nc1nc3ccccc3cc1-c1nnn[n-]1)CC2 ZINC000822787338 606081293 /nfs/dbraw/zinc/08/12/93/606081293.db2.gz YYYLAODGOYFUTL-QGZVFWFLSA-N -1 3 346.369 3.653 20 0 EHADHM Fc1ccc2c(c1)[C@H](Nc1nc3ccccc3cc1-c1nn[n-]n1)CC2 ZINC000822787338 606081299 /nfs/dbraw/zinc/08/12/99/606081299.db2.gz YYYLAODGOYFUTL-QGZVFWFLSA-N -1 3 346.369 3.653 20 0 EHADHM Clc1ccc2c(c1Cl)CC[C@H]2Nc1ccc(-c2nnn[n-]2)nc1 ZINC000822582875 606083777 /nfs/dbraw/zinc/08/37/77/606083777.db2.gz ZNBPSKJEVOYPKZ-GFCCVEGCSA-N -1 3 347.209 3.668 20 0 EHADHM Clc1ccc2c(c1Cl)CC[C@H]2Nc1ccc(-c2nn[n-]n2)nc1 ZINC000822582875 606083783 /nfs/dbraw/zinc/08/37/83/606083783.db2.gz ZNBPSKJEVOYPKZ-GFCCVEGCSA-N -1 3 347.209 3.668 20 0 EHADHM CCO[C@@H](C)c1nc(CSc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000821346119 606328526 /nfs/dbraw/zinc/32/85/26/606328526.db2.gz CWVCBPSUXGKISN-JTQLQIEISA-N -1 3 347.469 3.713 20 0 EHADHM CCO[C@@H](C)c1nc(CSc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000821346119 606328529 /nfs/dbraw/zinc/32/85/29/606328529.db2.gz CWVCBPSUXGKISN-JTQLQIEISA-N -1 3 347.469 3.713 20 0 EHADHM CC(=CC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819766395 606358960 /nfs/dbraw/zinc/35/89/60/606358960.db2.gz YHJVLSWFRBQZDD-WUFNSSIPSA-N -1 3 334.379 3.574 20 0 EHADHM CC(=CC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819766395 606358962 /nfs/dbraw/zinc/35/89/62/606358962.db2.gz YHJVLSWFRBQZDD-WUFNSSIPSA-N -1 3 334.379 3.574 20 0 EHADHM c1ccc(Oc2ccc(NCc3cccc(-c4nnn[n-]4)c3)cc2)nc1 ZINC000823792531 606460158 /nfs/dbraw/zinc/46/01/58/606460158.db2.gz WPZDREXLOHICBC-UHFFFAOYSA-N -1 3 344.378 3.666 20 0 EHADHM c1ccc(Oc2ccc(NCc3cccc(-c4nn[n-]n4)c3)cc2)nc1 ZINC000823792531 606460160 /nfs/dbraw/zinc/46/01/60/606460160.db2.gz WPZDREXLOHICBC-UHFFFAOYSA-N -1 3 344.378 3.666 20 0 EHADHM CC(C)C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1cccs1 ZINC000820054812 606496866 /nfs/dbraw/zinc/49/68/66/606496866.db2.gz CISJIRRSBHBDLI-NSHDSACASA-N -1 3 347.469 3.507 20 0 EHADHM CC(C)C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1cccs1 ZINC000820054812 606496867 /nfs/dbraw/zinc/49/68/67/606496867.db2.gz CISJIRRSBHBDLI-NSHDSACASA-N -1 3 347.469 3.507 20 0 EHADHM Cc1ccc(/C=C\CC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000822233401 606619878 /nfs/dbraw/zinc/61/98/78/606619878.db2.gz ODEUSNYGARIWSQ-ARJAWSKDSA-N -1 3 333.395 3.526 20 0 EHADHM Cc1ccc(/C=C\CC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000822233401 606619880 /nfs/dbraw/zinc/61/98/80/606619880.db2.gz ODEUSNYGARIWSQ-ARJAWSKDSA-N -1 3 333.395 3.526 20 0 EHADHM COCCC1(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)CCCC1 ZINC000821687176 606721284 /nfs/dbraw/zinc/72/12/84/606721284.db2.gz SDQKBWDYKNCBMH-UHFFFAOYSA-N -1 3 335.839 3.529 20 0 EHADHM COCCC1(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)CCCC1 ZINC000821687176 606721285 /nfs/dbraw/zinc/72/12/85/606721285.db2.gz SDQKBWDYKNCBMH-UHFFFAOYSA-N -1 3 335.839 3.529 20 0 EHADHM Cc1ccc(OC(F)F)c(CNc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000822263458 606800058 /nfs/dbraw/zinc/80/00/58/606800058.db2.gz PIHIUGCUSKKVDK-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM Cc1ccc(OC(F)F)c(CNc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000822263458 606800060 /nfs/dbraw/zinc/80/00/60/606800060.db2.gz PIHIUGCUSKKVDK-UHFFFAOYSA-N -1 3 349.316 3.528 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CC(C)C)CC(C)(C)C ZINC000822218080 606806132 /nfs/dbraw/zinc/80/61/32/606806132.db2.gz WXHMVYOQNRCESA-UHFFFAOYSA-N -1 3 344.463 3.711 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CC(C)C)CC(C)(C)C ZINC000822218080 606806134 /nfs/dbraw/zinc/80/61/34/606806134.db2.gz WXHMVYOQNRCESA-UHFFFAOYSA-N -1 3 344.463 3.711 20 0 EHADHM CCN(C(=O)C(F)=C1CCCC1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149433 606833490 /nfs/dbraw/zinc/83/34/90/606833490.db2.gz YLHPAJFHNTWMSO-LBPRGKRZSA-N -1 3 343.406 3.574 20 0 EHADHM CCN(C(=O)C(F)=C1CCCC1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149433 606833492 /nfs/dbraw/zinc/83/34/92/606833492.db2.gz YLHPAJFHNTWMSO-LBPRGKRZSA-N -1 3 343.406 3.574 20 0 EHADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(F)cc1 ZINC000823066453 606852038 /nfs/dbraw/zinc/85/20/38/606852038.db2.gz ZPAGNVWHEZJFDV-UHFFFAOYSA-N -1 3 348.790 3.634 20 0 EHADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(F)cc1 ZINC000823066453 606852040 /nfs/dbraw/zinc/85/20/40/606852040.db2.gz ZPAGNVWHEZJFDV-UHFFFAOYSA-N -1 3 348.790 3.634 20 0 EHADHM C[C@@H]1CCC[C@@H](CC(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000820696900 606962246 /nfs/dbraw/zinc/96/22/46/606962246.db2.gz CVASKIAWZKFHAW-VXGBXAGGSA-N -1 3 347.850 3.699 20 0 EHADHM C[C@@H]1CCC[C@@H](CC(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000820696900 606962247 /nfs/dbraw/zinc/96/22/47/606962247.db2.gz CVASKIAWZKFHAW-VXGBXAGGSA-N -1 3 347.850 3.699 20 0 EHADHM CC[C@@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1cc(F)ccc1F ZINC000820926869 607057997 /nfs/dbraw/zinc/05/79/97/607057997.db2.gz WUZWPFLQZGWRTM-MRXNPFEDSA-N -1 3 347.344 3.525 20 0 EHADHM CC[C@@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1cc(F)ccc1F ZINC000820926869 607057999 /nfs/dbraw/zinc/05/79/99/607057999.db2.gz WUZWPFLQZGWRTM-MRXNPFEDSA-N -1 3 347.344 3.525 20 0 EHADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cc2ccccc2o1 ZINC000821413239 607123532 /nfs/dbraw/zinc/12/35/32/607123532.db2.gz YIGAJXGROQEQRO-UHFFFAOYSA-N -1 3 335.367 3.624 20 0 EHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cc2ccccc2o1 ZINC000821413239 607123533 /nfs/dbraw/zinc/12/35/33/607123533.db2.gz YIGAJXGROQEQRO-UHFFFAOYSA-N -1 3 335.367 3.624 20 0 EHADHM CCc1ccc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000821487806 607204495 /nfs/dbraw/zinc/20/44/95/607204495.db2.gz XZGPUJGFWAXXTR-UHFFFAOYSA-N -1 3 342.790 3.727 20 0 EHADHM CCc1ccc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000821487806 607204496 /nfs/dbraw/zinc/20/44/96/607204496.db2.gz XZGPUJGFWAXXTR-UHFFFAOYSA-N -1 3 342.790 3.727 20 0 EHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000826247131 607775442 /nfs/dbraw/zinc/77/54/42/607775442.db2.gz URGMYEPOVPYHHV-XIKOKIGWSA-N -1 3 347.422 3.544 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000826247131 607775443 /nfs/dbraw/zinc/77/54/43/607775443.db2.gz URGMYEPOVPYHHV-XIKOKIGWSA-N -1 3 347.422 3.544 20 0 EHADHM CCN(C(=O)CC1CCCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367130 607796345 /nfs/dbraw/zinc/79/63/45/607796345.db2.gz JKQVMLKBAFHWMV-UHFFFAOYSA-N -1 3 327.432 3.580 20 0 EHADHM CCN(C(=O)CC1CCCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367130 607796346 /nfs/dbraw/zinc/79/63/46/607796346.db2.gz JKQVMLKBAFHWMV-UHFFFAOYSA-N -1 3 327.432 3.580 20 0 EHADHM c1sc(C2CC2)nc1CSCc1ccccc1-c1nnn[n-]1 ZINC000826520076 607983850 /nfs/dbraw/zinc/98/38/50/607983850.db2.gz ZQWZUJPINXANIS-UHFFFAOYSA-N -1 3 329.454 3.634 20 0 EHADHM c1sc(C2CC2)nc1CSCc1ccccc1-c1nn[n-]n1 ZINC000826520076 607983851 /nfs/dbraw/zinc/98/38/51/607983851.db2.gz ZQWZUJPINXANIS-UHFFFAOYSA-N -1 3 329.454 3.634 20 0 EHADHM Clc1cc(-c2nnn[n-]2)ccc1SCc1ncc(C2CC2)o1 ZINC000826350939 608023589 /nfs/dbraw/zinc/02/35/89/608023589.db2.gz QXVCNBGNSAHTSO-UHFFFAOYSA-N -1 3 333.804 3.678 20 0 EHADHM Clc1cc(-c2nn[n-]n2)ccc1SCc1ncc(C2CC2)o1 ZINC000826350939 608023590 /nfs/dbraw/zinc/02/35/90/608023590.db2.gz QXVCNBGNSAHTSO-UHFFFAOYSA-N -1 3 333.804 3.678 20 0 EHADHM Cc1cnc([C@H](C)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)o1 ZINC000826317817 608150841 /nfs/dbraw/zinc/15/08/41/608150841.db2.gz NXBHXOAHBIUBHG-ZDUSSCGKSA-N -1 3 347.378 3.970 20 0 EHADHM Cc1cnc([C@H](C)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)o1 ZINC000826317817 608150843 /nfs/dbraw/zinc/15/08/43/608150843.db2.gz NXBHXOAHBIUBHG-ZDUSSCGKSA-N -1 3 347.378 3.970 20 0 EHADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc(C)c1F ZINC000826260455 608160511 /nfs/dbraw/zinc/16/05/11/608160511.db2.gz OLPAGOIRESOHRR-UHFFFAOYSA-N -1 3 345.765 3.528 20 0 EHADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc(C)c1F ZINC000826260455 608160513 /nfs/dbraw/zinc/16/05/13/608160513.db2.gz OLPAGOIRESOHRR-UHFFFAOYSA-N -1 3 345.765 3.528 20 0 EHADHM Cc1cccc([C@H](Nc2ccc(-c3nn[n-]n3)cc2)c2ccccn2)c1 ZINC000826296696 608230907 /nfs/dbraw/zinc/23/09/07/608230907.db2.gz GDOIANVOYIUOIM-IBGZPJMESA-N -1 3 342.406 3.772 20 0 EHADHM Fc1c(CSCc2csc(C3CC3)n2)cccc1-c1nnn[n-]1 ZINC000826370605 608406631 /nfs/dbraw/zinc/40/66/31/608406631.db2.gz AMJMIVLWNONIGD-UHFFFAOYSA-N -1 3 347.444 3.773 20 0 EHADHM Fc1c(CSCc2csc(C3CC3)n2)cccc1-c1nn[n-]n1 ZINC000826370605 608406633 /nfs/dbraw/zinc/40/66/33/608406633.db2.gz AMJMIVLWNONIGD-UHFFFAOYSA-N -1 3 347.444 3.773 20 0 EHADHM Clc1ccc(-c2nnn[n-]2)c(Oc2cc(Cl)nc(C3CC3)n2)c1 ZINC000826351739 608433183 /nfs/dbraw/zinc/43/31/83/608433183.db2.gz YNKVAEPJPGRJII-UHFFFAOYSA-N -1 3 349.181 3.633 20 0 EHADHM Clc1ccc(-c2nn[n-]n2)c(Oc2cc(Cl)nc(C3CC3)n2)c1 ZINC000826351739 608433184 /nfs/dbraw/zinc/43/31/84/608433184.db2.gz YNKVAEPJPGRJII-UHFFFAOYSA-N -1 3 349.181 3.633 20 0 EHADHM Cc1ccc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1Cl ZINC000826291048 608571691 /nfs/dbraw/zinc/57/16/91/608571691.db2.gz MTRNYTXDPRBWLR-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1ccc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1Cl ZINC000826291048 608571693 /nfs/dbraw/zinc/57/16/93/608571693.db2.gz MTRNYTXDPRBWLR-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Fc1c(CSc2nc3ccccc3s2)cccc1-c1nnn[n-]1 ZINC000826371419 608670252 /nfs/dbraw/zinc/67/02/52/608670252.db2.gz FTMYFGASCZNOBX-UHFFFAOYSA-N -1 3 343.412 3.908 20 0 EHADHM Fc1c(CSc2nc3ccccc3s2)cccc1-c1nn[n-]n1 ZINC000826371419 608670254 /nfs/dbraw/zinc/67/02/54/608670254.db2.gz FTMYFGASCZNOBX-UHFFFAOYSA-N -1 3 343.412 3.908 20 0 EHADHM Clc1ccc([C@@H]2CCN2Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826351519 608729159 /nfs/dbraw/zinc/72/91/59/608729159.db2.gz PQVCVUNYHXUYTQ-ZDUSSCGKSA-N -1 3 331.832 3.529 20 0 EHADHM Clc1ccc([C@@H]2CCN2Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826351519 608729160 /nfs/dbraw/zinc/72/91/60/608729160.db2.gz PQVCVUNYHXUYTQ-ZDUSSCGKSA-N -1 3 331.832 3.529 20 0 EHADHM C[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824614197 609133706 /nfs/dbraw/zinc/13/37/06/609133706.db2.gz ZHQJBAFGATXRPQ-ZETOZRRWSA-N -1 3 341.390 3.573 20 0 EHADHM C[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824614197 609133708 /nfs/dbraw/zinc/13/37/08/609133708.db2.gz ZHQJBAFGATXRPQ-ZETOZRRWSA-N -1 3 341.390 3.573 20 0 EHADHM CC(C)C[C@@H]1C[C@H](Nc2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000824243411 609170636 /nfs/dbraw/zinc/17/06/36/609170636.db2.gz FSLAJUSIYYCTBQ-CHWSQXEVSA-N -1 3 335.839 3.526 20 0 EHADHM CC(C)C[C@@H]1C[C@H](Nc2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000824243411 609170638 /nfs/dbraw/zinc/17/06/38/609170638.db2.gz FSLAJUSIYYCTBQ-CHWSQXEVSA-N -1 3 335.839 3.526 20 0 EHADHM C[C@@H](NCc1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000824627574 609322058 /nfs/dbraw/zinc/32/20/58/609322058.db2.gz ZAJVFCJQVNAQQL-SNVBAGLBSA-N -1 3 331.782 3.510 20 0 EHADHM C[C@@H](NCc1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000824627574 609322060 /nfs/dbraw/zinc/32/20/60/609322060.db2.gz ZAJVFCJQVNAQQL-SNVBAGLBSA-N -1 3 331.782 3.510 20 0 EHADHM C[C@@H](N[C@H](C)c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824530471 609327325 /nfs/dbraw/zinc/32/73/25/609327325.db2.gz LXRWPCYSBCBONF-NXEZZACHSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@@H](N[C@H](C)c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000824530471 609327327 /nfs/dbraw/zinc/32/73/27/609327327.db2.gz LXRWPCYSBCBONF-NXEZZACHSA-N -1 3 347.344 3.696 20 0 EHADHM CC(C)[C@@H](Nc1ncccc1-c1nnn[n-]1)c1ccc(Cl)cc1F ZINC000824198629 609386569 /nfs/dbraw/zinc/38/65/69/609386569.db2.gz CCNQLRHPSKNOSP-CQSZACIVSA-N -1 3 346.797 3.863 20 0 EHADHM CC(C)[C@@H](Nc1ncccc1-c1nn[n-]n1)c1ccc(Cl)cc1F ZINC000824198629 609386572 /nfs/dbraw/zinc/38/65/72/609386572.db2.gz CCNQLRHPSKNOSP-CQSZACIVSA-N -1 3 346.797 3.863 20 0 EHADHM CCN(C(=O)[C@H]1CCC(C)(C)C1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367419 609397388 /nfs/dbraw/zinc/39/73/88/609397388.db2.gz PSYLRACNLCGGDS-NSHDSACASA-N -1 3 347.850 3.699 20 0 EHADHM CCN(C(=O)[C@H]1CCC(C)(C)C1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367419 609397389 /nfs/dbraw/zinc/39/73/89/609397389.db2.gz PSYLRACNLCGGDS-NSHDSACASA-N -1 3 347.850 3.699 20 0 EHADHM CC(C)Nc1cccc(F)c1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000824304600 609438662 /nfs/dbraw/zinc/43/86/62/609438662.db2.gz CIDVIYPNRHLNNP-UHFFFAOYSA-N -1 3 344.369 3.577 20 0 EHADHM CC(C)Nc1cccc(F)c1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000824304600 609438665 /nfs/dbraw/zinc/43/86/65/609438665.db2.gz CIDVIYPNRHLNNP-UHFFFAOYSA-N -1 3 344.369 3.577 20 0 EHADHM Fc1ccc(CNc2csc3ccccc23)cc1-c1nnn[n-]1 ZINC000826374826 609440118 /nfs/dbraw/zinc/44/01/18/609440118.db2.gz NPVZBNCQBCIAAJ-UHFFFAOYSA-N -1 3 325.372 3.833 20 0 EHADHM Fc1ccc(CNc2csc3ccccc23)cc1-c1nn[n-]n1 ZINC000826374826 609440120 /nfs/dbraw/zinc/44/01/20/609440120.db2.gz NPVZBNCQBCIAAJ-UHFFFAOYSA-N -1 3 325.372 3.833 20 0 EHADHM CC(C)Oc1ccc(NCc2cccc3[nH]ccc32)cc1-c1nnn[n-]1 ZINC000824328937 609492152 /nfs/dbraw/zinc/49/21/52/609492152.db2.gz DVJDBRUHAJNXFE-UHFFFAOYSA-N -1 3 348.410 3.747 20 0 EHADHM CC(C)Oc1ccc(NCc2cccc3[nH]ccc32)cc1-c1nn[n-]n1 ZINC000824328937 609492154 /nfs/dbraw/zinc/49/21/54/609492154.db2.gz DVJDBRUHAJNXFE-UHFFFAOYSA-N -1 3 348.410 3.747 20 0 EHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1c(F)cccc1F ZINC000824325051 609509794 /nfs/dbraw/zinc/50/97/94/609509794.db2.gz YQZOOCDTMVBDIC-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1c(F)cccc1F ZINC000824325051 609509796 /nfs/dbraw/zinc/50/97/96/609509796.db2.gz YQZOOCDTMVBDIC-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM CC/C(C)=C(/C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000825051602 609522673 /nfs/dbraw/zinc/52/26/73/609522673.db2.gz SCYJFUHEOCAHFJ-PFONDFGASA-N -1 3 341.459 3.598 20 0 EHADHM CC/C(C)=C(/C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000825051602 609522676 /nfs/dbraw/zinc/52/26/76/609522676.db2.gz SCYJFUHEOCAHFJ-PFONDFGASA-N -1 3 341.459 3.598 20 0 EHADHM CC[C@@H](C)[C@H](C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000825051867 609522837 /nfs/dbraw/zinc/52/28/37/609522837.db2.gz TZIKCVFYCZXRDB-CABCVRRESA-N -1 3 343.475 3.534 20 0 EHADHM CC[C@@H](C)[C@H](C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000825051867 609522838 /nfs/dbraw/zinc/52/28/38/609522838.db2.gz TZIKCVFYCZXRDB-CABCVRRESA-N -1 3 343.475 3.534 20 0 EHADHM CSCCCCCCNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826228582 609588526 /nfs/dbraw/zinc/58/85/26/609588526.db2.gz TYSXDNWHILYICR-UHFFFAOYSA-N -1 3 342.472 3.750 20 0 EHADHM CSCCCCCCNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826228582 609588528 /nfs/dbraw/zinc/58/85/28/609588528.db2.gz TYSXDNWHILYICR-UHFFFAOYSA-N -1 3 342.472 3.750 20 0 EHADHM CC(C)[C@H](CCc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000574706924 944637282 /nfs/dbraw/zinc/63/72/82/944637282.db2.gz GIYTUDVCFMKEND-SFHVURJKSA-N -1 3 349.438 3.710 20 0 EHADHM CC(C)[C@H](CCc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000574706924 944637287 /nfs/dbraw/zinc/63/72/87/944637287.db2.gz GIYTUDVCFMKEND-SFHVURJKSA-N -1 3 349.438 3.710 20 0 EHADHM C[C@@H](CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F)C1CCCCC1 ZINC000735974150 944728172 /nfs/dbraw/zinc/72/81/72/944728172.db2.gz JOQDVBCZSPSKQH-LBPRGKRZSA-N -1 3 345.422 3.575 20 0 EHADHM C[C@@H](CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F)C1CCCCC1 ZINC000735974150 944728178 /nfs/dbraw/zinc/72/81/78/944728178.db2.gz JOQDVBCZSPSKQH-LBPRGKRZSA-N -1 3 345.422 3.575 20 0 EHADHM C[C@H](N[C@H](CC(C)(C)C)C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000824533130 946772387 /nfs/dbraw/zinc/77/23/87/946772387.db2.gz ZDYMAASXQYRZEU-GXFFZTMASA-N -1 3 341.381 3.884 20 0 EHADHM C[C@H](N[C@H](CC(C)(C)C)C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000824533130 946772393 /nfs/dbraw/zinc/77/23/93/946772393.db2.gz ZDYMAASXQYRZEU-GXFFZTMASA-N -1 3 341.381 3.884 20 0 EHADHM Cc1cc(Br)ccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000826256594 947742571 /nfs/dbraw/zinc/74/25/71/947742571.db2.gz QVBFBPZGIJWZRQ-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM Cc1cc(Br)ccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000826256594 947742579 /nfs/dbraw/zinc/74/25/79/947742579.db2.gz QVBFBPZGIJWZRQ-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)c(NC2CC(c3cccc(Cl)c3)C2)n1 ZINC000826275369 947797469 /nfs/dbraw/zinc/79/74/69/947797469.db2.gz XVZBXBAVSOYKEN-UHFFFAOYSA-N -1 3 340.818 3.582 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)c(NC2CC(c3cccc(Cl)c3)C2)n1 ZINC000826275369 947797478 /nfs/dbraw/zinc/79/74/78/947797478.db2.gz XVZBXBAVSOYKEN-UHFFFAOYSA-N -1 3 340.818 3.582 20 0 EHADHM OCCCCCCCSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826509433 948428021 /nfs/dbraw/zinc/42/80/21/948428021.db2.gz VQSDXCJDQKAROC-UHFFFAOYSA-N -1 3 326.853 3.555 20 0 EHADHM OCCCCCCCSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826509433 948428024 /nfs/dbraw/zinc/42/80/24/948428024.db2.gz VQSDXCJDQKAROC-UHFFFAOYSA-N -1 3 326.853 3.555 20 0 EHADHM C[C@H]1CCCC[C@]1(C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001576155105 949379168 /nfs/dbraw/zinc/37/91/68/949379168.db2.gz GKRFUZLQDFOAOF-QFYYESIMSA-N -1 3 348.838 3.610 20 0 EHADHM C[C@H]1CCCC[C@]1(C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001576155105 949379193 /nfs/dbraw/zinc/37/91/93/949379193.db2.gz GKRFUZLQDFOAOF-QFYYESIMSA-N -1 3 348.838 3.610 20 0 EHADHM C[C@@H]1CCC[C@@H]1CNc1c(-c2nnn[n-]2)cnc2c(Cl)cccc21 ZINC001576156032 949433354 /nfs/dbraw/zinc/43/33/54/949433354.db2.gz LPRGOBSOUSXTLZ-GHMZBOCLSA-N -1 3 342.834 3.916 20 0 EHADHM C[C@@H]1CCC[C@@H]1CNc1c(-c2nn[n-]n2)cnc2c(Cl)cccc21 ZINC001576156032 949433370 /nfs/dbraw/zinc/43/33/70/949433370.db2.gz LPRGOBSOUSXTLZ-GHMZBOCLSA-N -1 3 342.834 3.916 20 0 EHADHM C[C@@H](C1CC1)N(CCOc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC001574471889 949541986 /nfs/dbraw/zinc/54/19/86/949541986.db2.gz ORSPHQCKQKDUTG-HNNXBMFYSA-N -1 3 349.438 3.551 20 0 EHADHM C[C@@H](C1CC1)N(CCOc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC001574471889 949541998 /nfs/dbraw/zinc/54/19/98/949541998.db2.gz ORSPHQCKQKDUTG-HNNXBMFYSA-N -1 3 349.438 3.551 20 0 EHADHM CC(C)(C)CN(CC(C)(C)C)C(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001573844661 950201324 /nfs/dbraw/zinc/20/13/24/950201324.db2.gz DSRHXLIIKUZTDV-UHFFFAOYSA-N -1 3 347.438 3.540 20 0 EHADHM CC(C)(C)CN(CC(C)(C)C)C(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001573844661 950201345 /nfs/dbraw/zinc/20/13/45/950201345.db2.gz DSRHXLIIKUZTDV-UHFFFAOYSA-N -1 3 347.438 3.540 20 0 EHADHM C[C@H]1CN(c2cc(C(F)(F)F)c(F)cc2-c2nnn[n-]2)CC[C@@H]1C ZINC001576213606 950635448 /nfs/dbraw/zinc/63/54/48/950635448.db2.gz DHRPMZOCUZPQTH-IUCAKERBSA-N -1 3 343.328 3.507 20 0 EHADHM C[C@H]1CN(c2cc(C(F)(F)F)c(F)cc2-c2nn[n-]n2)CC[C@@H]1C ZINC001576213606 950635457 /nfs/dbraw/zinc/63/54/57/950635457.db2.gz DHRPMZOCUZPQTH-IUCAKERBSA-N -1 3 343.328 3.507 20 0 EHADHM C[C@H]1c2c(sc(NC(=O)C(C)(C)C)c2-c2nnn[n-]2)CC[C@@H]1C ZINC001576219858 950817121 /nfs/dbraw/zinc/81/71/21/950817121.db2.gz VTPYGIONAQXYRE-DTWKUNHWSA-N -1 3 333.461 3.599 20 0 EHADHM C[C@H]1c2c(sc(NC(=O)C(C)(C)C)c2-c2nn[n-]n2)CC[C@@H]1C ZINC001576219858 950817145 /nfs/dbraw/zinc/81/71/45/950817145.db2.gz VTPYGIONAQXYRE-DTWKUNHWSA-N -1 3 333.461 3.599 20 0 EHADHM O=C([O-])[C@@H]1CN(Cc2cc(F)c(C(F)(F)F)cc2F)C[C@H]1C1CC1 ZINC001595191449 952283834 /nfs/dbraw/zinc/28/38/34/952283834.db2.gz OISZECCKRCCXNP-WDEREUQCSA-N -1 3 349.299 3.526 20 0 EHADHM CCc1cc(=O)[n-]c(-c2ccc(NCCCCCCSC)nc2)n1 ZINC000182101479 1032062383 /nfs/dbraw/zinc/06/23/83/1032062383.db2.gz BGUJQODCDJNHDW-UHFFFAOYSA-N -1 3 346.500 3.730 20 0 EHADHM C[C@](NCc1csc(Br)c1)(C(=O)[O-])c1ccccc1 ZINC001589132676 956217182 /nfs/dbraw/zinc/21/71/82/956217182.db2.gz WYRISYNTLQJATI-CQSZACIVSA-N -1 3 340.242 3.600 20 0 EHADHM CC(=O)Nc1cccc([C@H](C)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001588520059 958826027 /nfs/dbraw/zinc/82/60/27/958826027.db2.gz AGKIRZQDUCAWKT-RQUSPXKASA-N -1 3 338.407 3.609 20 0 EHADHM Cc1c(C(=O)[O-])cc(CN[C@@H](C)c2ccc(OC(C)C)cc2)n1C ZINC000392316253 972469858 /nfs/dbraw/zinc/46/98/58/972469858.db2.gz QMPUKEYIKIBPAB-ZDUSSCGKSA-N -1 3 330.428 3.670 20 0 EHADHM C[C@H]1CN(Cc2ccc(Oc3ccc(F)cc3)nc2)CC[C@@H]1C(=O)[O-] ZINC001573747529 960506369 /nfs/dbraw/zinc/50/63/69/960506369.db2.gz DYPZXXJHDVUBIW-GUYCJALGSA-N -1 3 344.386 3.556 20 0 EHADHM CC(C)Oc1ccc(CN2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)cc1 ZINC001331924579 961411161 /nfs/dbraw/zinc/41/11/61/961411161.db2.gz LFBCLZRGTFCINI-KGLIPLIRSA-N -1 3 345.361 3.559 20 0 EHADHM CC(C)CN1CCC[C@@H]1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001520160497 962816837 /nfs/dbraw/zinc/81/68/37/962816837.db2.gz KEJNCWREVOTERT-CQSZACIVSA-N -1 3 346.452 3.658 20 0 EHADHM O=C([O-])[C@@]1(C(F)(F)F)CCN([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000316935655 964075798 /nfs/dbraw/zinc/07/57/98/964075798.db2.gz GFTQKKGSFLYABF-GXTWGEPZSA-N -1 3 333.737 3.666 20 0 EHADHM CC(C)Oc1ccc(CN2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1Cl ZINC000263334552 967873165 /nfs/dbraw/zinc/87/31/65/967873165.db2.gz MEGJPIBDJKADRI-GXTWGEPZSA-N -1 3 325.836 3.670 20 0 EHADHM COCCN(Cc1cccc(C(=O)[O-])c1)Cc1ccc(C)c(C)c1 ZINC001604612619 973731938 /nfs/dbraw/zinc/73/19/38/973731938.db2.gz OXEWNWJCPXTFNG-UHFFFAOYSA-N -1 3 327.424 3.650 20 0 EHADHM Cc1ccc(-c2cnc(CN3[C@H](C)CC(C(=O)[O-])C[C@H]3C)o2)cc1 ZINC000530174216 974362446 /nfs/dbraw/zinc/36/24/46/974362446.db2.gz IVTGVANBHBADCF-ZIAGYGMSSA-N -1 3 328.412 3.724 20 0 EHADHM CCN(Cc1ccc(C(=O)[O-])cc1F)[C@H](COC)Cc1ccccc1 ZINC000567905870 974648440 /nfs/dbraw/zinc/64/84/40/974648440.db2.gz UXTNOOMIKZZURW-SFHVURJKSA-N -1 3 345.414 3.604 20 0 EHADHM O=C([O-])[C@]1(c2ccccc2)CCN(Cc2cc(Cl)ccc2F)C1 ZINC000581672513 974913899 /nfs/dbraw/zinc/91/38/99/974913899.db2.gz OKSAFZOMXPRHQU-GOSISDBHSA-N -1 3 333.790 3.707 20 0 EHADHM CO[C@]1(C)C[C@@H](N(C)Cc2cccc(C(=O)[O-])c2Cl)C1(C)C ZINC000652439725 975532780 /nfs/dbraw/zinc/53/27/80/975532780.db2.gz XOOYYILHBQXGQT-CXAGYDPISA-N -1 3 325.836 3.674 20 0 EHADHM COc1cc(CN2CCC(CCC(=O)[O-])CC2)ccc1OC(C)C ZINC000665340575 975957301 /nfs/dbraw/zinc/95/73/01/975957301.db2.gz 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CC(C)[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)c1ccccc1 ZINC000919061660 1122970513 /nfs/dbraw/zinc/97/05/13/1122970513.db2.gz GKSLYOGXRHMICJ-SFHVURJKSA-N -1 3 338.363 3.734 20 0 EHADHM CC(C)[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)c1ccccc1 ZINC000919061660 1122970516 /nfs/dbraw/zinc/97/05/16/1122970516.db2.gz GKSLYOGXRHMICJ-SFHVURJKSA-N -1 3 338.363 3.734 20 0 EHADHM CCCCCN(CCCCC)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065800345 1129091664 /nfs/dbraw/zinc/09/16/64/1129091664.db2.gz CIQNOWJDPYMEDE-UHFFFAOYSA-N -1 3 345.443 3.785 20 0 EHADHM COc1ccnc(Br)c1Nc1cc(F)cc(F)c1[O-] ZINC001212481908 1129092963 /nfs/dbraw/zinc/09/29/63/1129092963.db2.gz QJYXXNUTLGCCJZ-UHFFFAOYSA-N -1 3 331.116 3.580 20 0 EHADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](C)c3ccsc3)cc2)n1 ZINC000078089373 1129101378 /nfs/dbraw/zinc/10/13/78/1129101378.db2.gz KTFLNVGLPXPUFA-GFCCVEGCSA-N -1 3 339.420 3.549 20 0 EHADHM COc1ccc(C2(CNC(=O)c3cc([O-])ccc3Cl)CCC2)cc1 ZINC000499296608 1123341320 /nfs/dbraw/zinc/34/13/20/1123341320.db2.gz 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20 0 EHADHM CC1(C)CC(NC(=O)c2cc(=O)c3ccccc3[n-]2)CC(C)(C)C1 ZINC000347931701 1131091207 /nfs/dbraw/zinc/09/12/07/1131091207.db2.gz SYWQYBSRKIQAEV-UHFFFAOYSA-N -1 3 326.440 3.863 20 0 EHADHM Cc1nonc1C(=O)[N-]c1nc(-c2cccc(Cl)c2)c(C)s1 ZINC000733911030 1131169348 /nfs/dbraw/zinc/16/93/48/1131169348.db2.gz TWUKPKTVHWMIAE-UHFFFAOYSA-N -1 3 334.788 3.716 20 0 EHADHM Cc1ccc(C(F)(F)F)cc1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000828197799 1131426443 /nfs/dbraw/zinc/42/64/43/1131426443.db2.gz NPEHFZDAHJCFBI-UHFFFAOYSA-N -1 3 337.301 3.639 20 0 EHADHM O=S(=O)([N-][C@H](c1ccccc1)C1CCC1)c1cccnc1Cl ZINC000738375020 1131468556 /nfs/dbraw/zinc/46/85/56/1131468556.db2.gz UWEJOMXPMHNHKQ-OAHLLOKOSA-N -1 3 336.844 3.555 20 0 EHADHM CS[C@H]1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000742328097 1131706172 /nfs/dbraw/zinc/70/61/72/1131706172.db2.gz IIWFDKGSJPRQPE-BDAKNGLRSA-N -1 3 340.297 3.556 20 0 EHADHM Cc1cc(Br)cc(-c2noc(-c3cncc([O-])c3)n2)c1 ZINC001212708541 1131984930 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FC(F)(F)c1ccc(Br)c2nc([N-]c3ccoc3)nn21 ZINC001173934056 1132189308 /nfs/dbraw/zinc/18/93/08/1132189308.db2.gz NLXFMHIESWWXEX-UHFFFAOYSA-N -1 3 347.094 3.847 20 0 EHADHM Cn1cc(-c2ccc(Nc3ncc(Br)cc3[O-])cc2)cn1 ZINC001174376328 1132341930 /nfs/dbraw/zinc/34/19/30/1132341930.db2.gz SLOVXYYHUQHSPU-UHFFFAOYSA-N -1 3 345.200 3.694 20 0 EHADHM COC(=O)c1ccc(Nc2nc3c(cccc3[O-])s2)cc1OC ZINC001174428347 1132352120 /nfs/dbraw/zinc/35/21/20/1132352120.db2.gz GUZKCRRVEIKULN-UHFFFAOYSA-N -1 3 330.365 3.541 20 0 EHADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1cc3c(cccc3Cl)s1)C2 ZINC001168932567 1132607301 /nfs/dbraw/zinc/60/73/01/1132607301.db2.gz VTKQNQMDURMUOL-UHFFFAOYSA-N -1 3 345.811 3.515 20 0 EHADHM COc1ccc(-n2nc(C)cc2Nc2c(F)ccc([O-])c2F)cc1 ZINC001175263884 1132621921 /nfs/dbraw/zinc/62/19/21/1132621921.db2.gz VNJXJBAXADVALH-UHFFFAOYSA-N -1 3 331.322 3.917 20 0 EHADHM COc1ncc(C)cc1Nc1cc(Br)cc(F)c1[O-] ZINC001175339258 1132643185 /nfs/dbraw/zinc/64/31/85/1132643185.db2.gz TVPAZDALSSWSSC-UHFFFAOYSA-N -1 3 327.153 3.749 20 0 EHADHM FC(F)(F)c1cc(Cl)c(Nc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001175427306 1132665505 /nfs/dbraw/zinc/66/55/05/1132665505.db2.gz AOGYUKAABZTGDI-UHFFFAOYSA-N -1 3 340.696 3.678 20 0 EHADHM Fc1cccc(Br)c1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175428850 1132665562 /nfs/dbraw/zinc/66/55/62/1132665562.db2.gz NWMZXCHPXALONH-UHFFFAOYSA-N -1 3 334.152 3.512 20 0 EHADHM CC(C)COc1ccc(F)cc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175431285 1132666762 /nfs/dbraw/zinc/66/67/62/1132666762.db2.gz ASKMSUHJUGCCTC-UHFFFAOYSA-N -1 3 327.363 3.784 20 0 EHADHM COC(=O)c1nc(Cl)c(Cl)nc1Nc1ccc(Cl)c([O-])c1 ZINC001212588626 1132723303 /nfs/dbraw/zinc/72/33/03/1132723303.db2.gz WBPFQSOKWXVQGA-UHFFFAOYSA-N -1 3 348.573 3.673 20 0 EHADHM O=C(OCc1nnc(-c2ccccc2)s1)c1cccc(Cl)c1[O-] ZINC000766732624 1132774589 /nfs/dbraw/zinc/77/45/89/1132774589.db2.gz HZOXGZMDWSMCMM-UHFFFAOYSA-N -1 3 346.795 3.921 20 0 EHADHM CN1CCN(c2ccc(Nc3ccc(Cl)c([O-])c3)cc2F)CC1 ZINC001212592414 1132812707 /nfs/dbraw/zinc/81/27/07/1132812707.db2.gz OIBANLQHCOAUFC-UHFFFAOYSA-N -1 3 335.810 3.680 20 0 EHADHM COC([O-])=NC(=S)N(/C=C/c1ccc(C)cc1)c1ccccc1N ZINC001176424590 1132936357 /nfs/dbraw/zinc/93/63/57/1132936357.db2.gz CNJLQGHPUVYHKC-VAWYXSNFSA-N -1 3 341.436 3.695 20 0 EHADHM Cc1cc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc(C)c1OC(F)F ZINC000767905696 1133070040 /nfs/dbraw/zinc/07/00/40/1133070040.db2.gz GUYJEZKJGXOHMM-OQLLNIDSSA-N -1 3 343.329 3.715 20 0 EHADHM Cc1csc(CCC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)n1 ZINC000767968919 1133075405 /nfs/dbraw/zinc/07/54/05/1133075405.db2.gz JTQHCGHYGIVPKF-UHFFFAOYSA-N -1 3 344.358 3.651 20 0 EHADHM O=C(C=C(C1CC1)C1CC1)NCc1ccc([O-])c(Br)c1 ZINC000768297014 1133122663 /nfs/dbraw/zinc/12/26/63/1133122663.db2.gz WDEKGARIGIRPFM-UHFFFAOYSA-N -1 3 336.229 3.517 20 0 EHADHM Cn1cc(Cl)c(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC001178465112 1133171742 /nfs/dbraw/zinc/17/17/42/1133171742.db2.gz DNFZNHXJKRBAHK-UHFFFAOYSA-N -1 3 343.770 3.824 20 0 EHADHM C[C@@H](NC(=O)c1ccc(C(C)(C)C)s1)c1nc(C(F)(F)F)n[n-]1 ZINC001179182430 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COc1ccc(C2CC2)cc1CNC(=O)c1cc([O-])ccc1Cl ZINC000881558638 1137809851 /nfs/dbraw/zinc/80/98/51/1137809851.db2.gz QISLTVFAYYASSP-UHFFFAOYSA-N -1 3 331.799 3.862 20 0 EHADHM COc1cc(C(=O)N2CCC[C@]2(C)c2ccccc2)cc(OC)c1[O-] ZINC000882023195 1137819161 /nfs/dbraw/zinc/81/91/61/1137819161.db2.gz KXHSABNFTYCCMM-HXUWFJFHSA-N -1 3 341.407 3.561 20 0 EHADHM CC(C)(C)c1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1F ZINC000882195546 1137823590 /nfs/dbraw/zinc/82/35/90/1137823590.db2.gz KKCKZDNRANLZKA-UHFFFAOYSA-N -1 3 329.375 3.749 20 0 EHADHM COc1cccc2c1OCCC[C@@H]2NC(=O)c1cc([O-])ccc1Cl ZINC000882265629 1137824745 /nfs/dbraw/zinc/82/47/45/1137824745.db2.gz WAPYHSFILCOQIC-HNNXBMFYSA-N -1 3 347.798 3.698 20 0 EHADHM O=C(c1cc([O-])ccc1Cl)N1CCCC[C@@H](C2CCOCC2)C1 ZINC000882914735 1137838263 /nfs/dbraw/zinc/83/82/63/1137838263.db2.gz YGYDSGRDSRHKDK-CQSZACIVSA-N -1 3 337.847 3.715 20 0 EHADHM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1cccc(F)n1 ZINC000133376795 1137888302 /nfs/dbraw/zinc/88/83/02/1137888302.db2.gz TXCSRQRSACHPBJ-UHFFFAOYSA-N -1 3 334.763 3.645 20 0 EHADHM COc1ccc(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)c([O-])c1 ZINC000110483480 1137901359 /nfs/dbraw/zinc/90/13/59/1137901359.db2.gz YXHQSXCCSZDSIB-ZDUSSCGKSA-N -1 3 331.799 3.684 20 0 EHADHM CC[C@H](c1ccc(Br)cc1)N1CCC[C@@H](C(=O)[O-])C1 ZINC000226397968 1137906587 /nfs/dbraw/zinc/90/65/87/1137906587.db2.gz QYMLCCFRDSRQPB-TZMCWYRMSA-N -1 3 326.234 3.697 20 0 EHADHM CC(=O)N(Cc1ccc(NC(=O)c2cc(C)ccc2[O-])cc1)C(C)C ZINC000116665162 1137926824 /nfs/dbraw/zinc/92/68/24/1137926824.db2.gz BMUMQEGAQKZYEI-UHFFFAOYSA-N -1 3 340.423 3.710 20 0 EHADHM CSc1cc2c(cc1[N-]C(=O)c1c(C)noc1C(C)C)OCCO2 ZINC000332130874 1137932725 /nfs/dbraw/zinc/93/27/25/1137932725.db2.gz GVZCJTDHHLGGOQ-UHFFFAOYSA-N -1 3 348.424 3.852 20 0 EHADHM O=C1[N-]C(=O)C(=CNc2ccc(Cl)c3ncccc23)c2ccccc21 ZINC000884262650 1137940385 /nfs/dbraw/zinc/94/03/85/1137940385.db2.gz QGAHNIBUQNYGBM-UVTDQMKNSA-N -1 3 349.777 3.611 20 0 EHADHM CC1=C(C)C[C@@H](C(=O)OCc2nnc(-c3ccccc3[O-])o2)CC1 ZINC000884561705 1137963190 /nfs/dbraw/zinc/96/31/90/1137963190.db2.gz ICJKFLCDLMNBLE-ZDUSSCGKSA-N -1 3 328.368 3.622 20 0 EHADHM Cc1c([O-])ccc2c(CN3CCC(C(F)(F)F)CC3)cc(=O)oc12 ZINC000072802118 1138107804 /nfs/dbraw/zinc/10/78/04/1138107804.db2.gz SMYKJDAFWRCJME-UHFFFAOYSA-N -1 3 341.329 3.581 20 0 EHADHM CC1CCN(c2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2)CC1 ZINC000302612542 1138844981 /nfs/dbraw/zinc/84/49/81/1138844981.db2.gz QVXNRPONOBYHQV-UHFFFAOYSA-N -1 3 348.443 3.863 20 0 EHADHM COc1ccc(N[C@H](C)c2cccc(C)c2)cc1[N-]S(C)(=O)=O ZINC000173879881 1139383863 /nfs/dbraw/zinc/38/38/63/1139383863.db2.gz ZMAIDBGECLQZDB-CYBMUJFWSA-N -1 3 334.441 3.548 20 0 EHADHM O=C(CC1CCC(C(F)(F)F)CC1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000180649474 1139853132 /nfs/dbraw/zinc/85/31/32/1139853132.db2.gz RHWJUEMJPCQAGK-UHFFFAOYSA-N -1 3 344.259 3.521 20 0 EHADHM O=C(CC1CCC(C(F)(F)F)CC1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000180649474 1139853140 /nfs/dbraw/zinc/85/31/40/1139853140.db2.gz RHWJUEMJPCQAGK-UHFFFAOYSA-N -1 3 344.259 3.521 20 0 EHADHM c1cc(-c2nc(C[N-]c3nnc([C@H]4CCCO4)o3)cs2)cs1 ZINC000181969334 1139942377 /nfs/dbraw/zinc/94/23/77/1139942377.db2.gz WZHCHZJCRZYZQP-LLVKDONJSA-N -1 3 334.426 3.718 20 0 EHADHM c1cc(-c2nc(C[N-]c3nnc([C@@H]4CCCO4)o3)cs2)cs1 ZINC000181969321 1139942561 /nfs/dbraw/zinc/94/25/61/1139942561.db2.gz WZHCHZJCRZYZQP-NSHDSACASA-N -1 3 334.426 3.718 20 0 EHADHM O=C([N-]c1ncn(C2CCCCC2)n1)c1sccc1OC(F)F ZINC000182722720 1139988384 /nfs/dbraw/zinc/98/83/84/1139988384.db2.gz AFSLXLUPFWPBGP-UHFFFAOYSA-N -1 3 342.371 3.699 20 0 EHADHM CC(C)c1ccc(C(=O)N2CCCN2C(=O)OC(C)(C)C)c([O-])c1 ZINC000777427866 1140224010 /nfs/dbraw/zinc/22/40/10/1140224010.db2.gz XYOVAJSOAGOGAN-UHFFFAOYSA-N -1 3 334.416 3.514 20 0 EHADHM O=C(CCCCc1ccc(Cl)c(Cl)c1)[N-]OC[C@H]1CCOC1 ZINC000187909863 1140276701 /nfs/dbraw/zinc/27/67/01/1140276701.db2.gz QRGNKIALDNJIPR-ZDUSSCGKSA-N -1 3 346.254 3.791 20 0 EHADHM O=C(/C=C\Sc1cc(F)ccc1F)NCc1ccc([O-])c(F)c1 ZINC000797942674 1140536608 /nfs/dbraw/zinc/53/66/08/1140536608.db2.gz VTDSTPOYLDAHGB-WAYWQWQTSA-N -1 3 339.338 3.732 20 0 EHADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@@H]2c2nc3ccccc3s2)n1 ZINC000192532480 1140537290 /nfs/dbraw/zinc/53/72/90/1140537290.db2.gz QLIPBLYJBJAGIY-GXTWGEPZSA-N -1 3 340.452 3.998 20 0 EHADHM CC[C@H](N[C@H](C)c1nc(C)cc(=O)[n-]1)c1ccccc1OC(F)F ZINC000192726399 1140547220 /nfs/dbraw/zinc/54/72/20/1140547220.db2.gz PSYFPQDGFWVBGI-YPMHNXCESA-N -1 3 337.370 3.894 20 0 EHADHM CC(C)c1ccc(S(=O)(=O)Cc2nc(-c3cccs3)n[n-]2)cc1 ZINC000195003716 1140628195 /nfs/dbraw/zinc/62/81/95/1140628195.db2.gz PMUOUYXNRPDWTG-UHFFFAOYSA-N -1 3 347.465 3.631 20 0 EHADHM O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)[N-]OC1CCCC1 ZINC000271632433 1141409539 /nfs/dbraw/zinc/40/95/39/1141409539.db2.gz BNNMDHSEDRIGFS-UHFFFAOYSA-N -1 3 349.818 3.703 20 0 EHADHM Cc1ccc(Oc2ccc(NC([O-])=NO[C@@H]3CCCCO3)cn2)cc1 ZINC000274256588 1141490674 /nfs/dbraw/zinc/49/06/74/1141490674.db2.gz XISIDBUUUUKAED-QGZVFWFLSA-N -1 3 343.383 3.762 20 0 EHADHM Cc1ccc(Oc2ccc(NC(=O)[N-]O[C@@H]3CCCCO3)cn2)cc1 ZINC000274256588 1141490678 /nfs/dbraw/zinc/49/06/78/1141490678.db2.gz XISIDBUUUUKAED-QGZVFWFLSA-N -1 3 343.383 3.762 20 0 EHADHM O=C([O-])C[C@@H]1CCCCN1CCOc1ccc(Cl)cc1Cl ZINC000038028106 213192651 /nfs/dbraw/zinc/19/26/51/213192651.db2.gz GWBKURFLZDALMS-LBPRGKRZSA-N -1 3 332.227 3.701 20 0 EHADHM COc1cc(CNCc2ccc(F)cc2)cc(Br)c1[O-] ZINC000019943409 212088902 /nfs/dbraw/zinc/08/89/02/212088902.db2.gz BOQATTGJXGEGKG-UHFFFAOYSA-N -1 3 340.192 3.592 20 0 EHADHM C[C@@H](OC(=O)c1coc2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000736162152 598857053 /nfs/dbraw/zinc/85/70/53/598857053.db2.gz HQCAVEGTZRRAJG-LLVKDONJSA-N -1 3 334.335 3.531 20 0 EHADHM C[C@@H](OC(=O)c1coc2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000736162152 598857055 /nfs/dbraw/zinc/85/70/55/598857055.db2.gz HQCAVEGTZRRAJG-LLVKDONJSA-N -1 3 334.335 3.531 20 0 EHADHM Cc1ccccc1[C@@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000737421437 598938933 /nfs/dbraw/zinc/93/89/33/598938933.db2.gz INOFSXBTLQWOBX-HNNXBMFYSA-N -1 3 340.818 3.565 20 0 EHADHM Cc1ccccc1[C@@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000737421437 598938935 /nfs/dbraw/zinc/93/89/35/598938935.db2.gz INOFSXBTLQWOBX-HNNXBMFYSA-N -1 3 340.818 3.565 20 0 EHADHM CC[C@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000736369802 599048771 /nfs/dbraw/zinc/04/87/71/599048771.db2.gz NMFCEVKGELXWAV-LBPRGKRZSA-N -1 3 348.332 3.844 20 0 EHADHM CC[C@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000736369802 599048773 /nfs/dbraw/zinc/04/87/73/599048773.db2.gz NMFCEVKGELXWAV-LBPRGKRZSA-N -1 3 348.332 3.844 20 0 EHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC2(C1)CCCCC2 ZINC000822331633 599051311 /nfs/dbraw/zinc/05/13/11/599051311.db2.gz IQODJKXXNISHNY-UHFFFAOYSA-N -1 3 348.454 3.884 20 0 EHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCC2(C1)CCCCC2 ZINC000822331633 599051314 /nfs/dbraw/zinc/05/13/14/599051314.db2.gz IQODJKXXNISHNY-UHFFFAOYSA-N -1 3 348.454 3.884 20 0 EHADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000820665795 599059690 /nfs/dbraw/zinc/05/96/90/599059690.db2.gz GTNZHNPEFBXVCK-BDJLRTHQSA-N -1 3 341.365 3.732 20 0 EHADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000820665795 599059687 /nfs/dbraw/zinc/05/96/87/599059687.db2.gz GTNZHNPEFBXVCK-BDJLRTHQSA-N -1 3 341.365 3.732 20 0 EHADHM C[C@H](CNc1ccc(Cl)cc1-c1nnn[n-]1)Oc1ccccc1F ZINC000820281806 599067766 /nfs/dbraw/zinc/06/77/66/599067766.db2.gz YDQRQPCBCZSLQQ-SNVBAGLBSA-N -1 3 347.781 3.539 20 0 EHADHM C[C@H](CNc1ccc(Cl)cc1-c1nn[n-]n1)Oc1ccccc1F ZINC000820281806 599067769 /nfs/dbraw/zinc/06/77/69/599067769.db2.gz YDQRQPCBCZSLQQ-SNVBAGLBSA-N -1 3 347.781 3.539 20 0 EHADHM C[C@@H]1C[C@@H](c2ccccc2F)N(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000820667438 599077370 /nfs/dbraw/zinc/07/73/70/599077370.db2.gz MHBGHULRRMFCAA-BZNIZROVSA-N -1 3 341.365 3.732 20 0 EHADHM C[C@@H]1C[C@@H](c2ccccc2F)N(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000820667438 599077373 /nfs/dbraw/zinc/07/73/73/599077373.db2.gz MHBGHULRRMFCAA-BZNIZROVSA-N -1 3 341.365 3.732 20 0 EHADHM C[C@@H](CNc1ccc(F)cc1-c1nnn[n-]1)Sc1ccccc1 ZINC000820280533 599080437 /nfs/dbraw/zinc/08/04/37/599080437.db2.gz IRAQKNDYQDTHMK-NSHDSACASA-N -1 3 329.404 3.599 20 0 EHADHM C[C@@H](CNc1ccc(F)cc1-c1nn[n-]n1)Sc1ccccc1 ZINC000820280533 599080440 /nfs/dbraw/zinc/08/04/40/599080440.db2.gz IRAQKNDYQDTHMK-NSHDSACASA-N -1 3 329.404 3.599 20 0 EHADHM Cc1cc2cc(C(=O)N(C)c3cccc(-c4nnn[n-]4)c3)oc2cc1C ZINC000822213152 599147517 /nfs/dbraw/zinc/14/75/17/599147517.db2.gz WTBFKBURFJBJNX-UHFFFAOYSA-N -1 3 347.378 3.506 20 0 EHADHM Cc1cc2cc(C(=O)N(C)c3cccc(-c4nn[n-]n4)c3)oc2cc1C ZINC000822213152 599147518 /nfs/dbraw/zinc/14/75/18/599147518.db2.gz WTBFKBURFJBJNX-UHFFFAOYSA-N -1 3 347.378 3.506 20 0 EHADHM COc1ccc(C=Cc2ccc3ccccc3n2)cc1-c1nnn[n-]1 ZINC000737081947 599151087 /nfs/dbraw/zinc/15/10/87/599151087.db2.gz SDOUNRCFVJHNHB-RMKNXTFCSA-N -1 3 329.363 3.594 20 0 EHADHM COc1ccc(C=Cc2ccc3ccccc3n2)cc1-c1nn[n-]n1 ZINC000737081947 599151089 /nfs/dbraw/zinc/15/10/89/599151089.db2.gz SDOUNRCFVJHNHB-RMKNXTFCSA-N -1 3 329.363 3.594 20 0 EHADHM Clc1ccc(Cl)c(CSc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737573851 599164987 /nfs/dbraw/zinc/16/49/87/599164987.db2.gz CWMGJIZNKDFZQM-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM Clc1ccc(Cl)c(CSc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737573851 599164990 /nfs/dbraw/zinc/16/49/90/599164990.db2.gz CWMGJIZNKDFZQM-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM FC(F)(F)c1cc(N2CCC[C@H]2c2ccco2)ccc1-c1nnn[n-]1 ZINC000737631573 599169843 /nfs/dbraw/zinc/16/98/43/599169843.db2.gz GOMUJCSIRPPINQ-ZDUSSCGKSA-N -1 3 349.316 3.820 20 0 EHADHM FC(F)(F)c1cc(N2CCC[C@H]2c2ccco2)ccc1-c1nn[n-]n1 ZINC000737631573 599169844 /nfs/dbraw/zinc/16/98/44/599169844.db2.gz GOMUJCSIRPPINQ-ZDUSSCGKSA-N -1 3 349.316 3.820 20 0 EHADHM CCCCCC[C@@H](C)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736443631 599181827 /nfs/dbraw/zinc/18/18/27/599181827.db2.gz AZHQEBXGXKXFLJ-KGLIPLIRSA-N -1 3 329.448 3.650 20 0 EHADHM CCCCCC[C@@H](C)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736443631 599181829 /nfs/dbraw/zinc/18/18/29/599181829.db2.gz AZHQEBXGXKXFLJ-KGLIPLIRSA-N -1 3 329.448 3.650 20 0 EHADHM COc1cccc(CCCSCc2ccccc2-c2nnn[n-]2)c1 ZINC000821868538 599223557 /nfs/dbraw/zinc/22/35/57/599223557.db2.gz SAEFNPGYBXPKJE-UHFFFAOYSA-N -1 3 340.452 3.741 20 0 EHADHM COc1cccc(CCCSCc2ccccc2-c2nn[n-]n2)c1 ZINC000821868538 599223560 /nfs/dbraw/zinc/22/35/60/599223560.db2.gz SAEFNPGYBXPKJE-UHFFFAOYSA-N -1 3 340.452 3.741 20 0 EHADHM COC[C@H](C)SCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000821682466 599225710 /nfs/dbraw/zinc/22/57/10/599225710.db2.gz GGDSYWYLXIEYEI-ZDUSSCGKSA-N -1 3 340.452 3.802 20 0 EHADHM COC[C@H](C)SCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000821682466 599225711 /nfs/dbraw/zinc/22/57/11/599225711.db2.gz GGDSYWYLXIEYEI-ZDUSSCGKSA-N -1 3 340.452 3.802 20 0 EHADHM CCc1c(C)sc(NC(=O)C=CC2CCCCC2)c1-c1nn[n-]n1 ZINC000736671338 599247868 /nfs/dbraw/zinc/24/78/68/599247868.db2.gz WSNDBKPJVYTPLA-MDZDMXLPSA-N -1 3 345.472 3.874 20 0 EHADHM CCc1c(C)sc(NC(=O)/C=C/C2CCCCC2)c1-c1nn[n-]n1 ZINC000736671338 599247869 /nfs/dbraw/zinc/24/78/69/599247869.db2.gz WSNDBKPJVYTPLA-MDZDMXLPSA-N -1 3 345.472 3.874 20 0 EHADHM Clc1cc2cccnc2c(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000822568061 607311696 /nfs/dbraw/zinc/31/16/96/607311696.db2.gz LCYVXMFYPYVQDT-UHFFFAOYSA-N -1 3 342.815 3.742 20 0 EHADHM Clc1cc2cccnc2c(NCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822568061 607311697 /nfs/dbraw/zinc/31/16/97/607311697.db2.gz LCYVXMFYPYVQDT-UHFFFAOYSA-N -1 3 342.815 3.742 20 0 EHADHM FC(F)(F)Cc1ccccc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000822718214 607318690 /nfs/dbraw/zinc/31/86/90/607318690.db2.gz CHRQKJHMEVMZJQ-UHFFFAOYSA-N -1 3 339.346 3.645 20 0 EHADHM FC(F)(F)Cc1ccccc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000822718214 607318691 /nfs/dbraw/zinc/31/86/91/607318691.db2.gz CHRQKJHMEVMZJQ-UHFFFAOYSA-N -1 3 339.346 3.645 20 0 EHADHM FC(F)(F)Cc1ccccc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000822719063 607319082 /nfs/dbraw/zinc/31/90/82/607319082.db2.gz YNDYATPLYXLMMG-UHFFFAOYSA-N -1 3 339.346 3.645 20 0 EHADHM CCC(CC)n1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)n1 ZINC000820897448 607332024 /nfs/dbraw/zinc/33/20/24/607332024.db2.gz FSYLUQIDVQQMNY-UHFFFAOYSA-N -1 3 345.838 3.690 20 0 EHADHM CCC(CC)n1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)n1 ZINC000820897448 607332025 /nfs/dbraw/zinc/33/20/25/607332025.db2.gz FSYLUQIDVQQMNY-UHFFFAOYSA-N -1 3 345.838 3.690 20 0 EHADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)c1ccoc1 ZINC000738185959 598231200 /nfs/dbraw/zinc/23/12/00/598231200.db2.gz VCFNMQCWQBUBLY-UHFFFAOYSA-N -1 3 347.334 3.504 20 0 EHADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1ccoc1 ZINC000738185959 598231203 /nfs/dbraw/zinc/23/12/03/598231203.db2.gz VCFNMQCWQBUBLY-UHFFFAOYSA-N -1 3 347.334 3.504 20 0 EHADHM CCOc1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)cc1F ZINC000736644357 598362781 /nfs/dbraw/zinc/36/27/81/598362781.db2.gz JNNRBZDIBKYYDJ-UHFFFAOYSA-N -1 3 347.781 3.670 20 0 EHADHM CCOc1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)cc1F ZINC000736644357 598362783 /nfs/dbraw/zinc/36/27/83/598362783.db2.gz JNNRBZDIBKYYDJ-UHFFFAOYSA-N -1 3 347.781 3.670 20 0 EHADHM CN(Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000736812636 598382989 /nfs/dbraw/zinc/38/29/89/598382989.db2.gz FMMFYAFDKNCOQM-UHFFFAOYSA-N -1 3 347.344 3.528 20 0 EHADHM CN(Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000736812636 598382991 /nfs/dbraw/zinc/38/29/91/598382991.db2.gz FMMFYAFDKNCOQM-UHFFFAOYSA-N -1 3 347.344 3.528 20 0 EHADHM CC[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000736348419 598386121 /nfs/dbraw/zinc/38/61/21/598386121.db2.gz BFZCRIWNUVWUMB-NSHDSACASA-N -1 3 328.807 3.521 20 0 EHADHM CC[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000736348419 598386123 /nfs/dbraw/zinc/38/61/23/598386123.db2.gz BFZCRIWNUVWUMB-NSHDSACASA-N -1 3 328.807 3.521 20 0 EHADHM Cc1ccccc1C(C)(C)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737414715 598394039 /nfs/dbraw/zinc/39/40/39/598394039.db2.gz BSOCSELJQICXIZ-UHFFFAOYSA-N -1 3 342.834 3.613 20 0 EHADHM Cc1ccccc1C(C)(C)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737414715 598394040 /nfs/dbraw/zinc/39/40/40/598394040.db2.gz BSOCSELJQICXIZ-UHFFFAOYSA-N -1 3 342.834 3.613 20 0 EHADHM CC(C)CN(C(=O)CC1=CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735818296 598395013 /nfs/dbraw/zinc/39/50/13/598395013.db2.gz LOUCGQSDQZSLML-UHFFFAOYSA-N -1 3 339.443 3.746 20 0 EHADHM CC(C)CN(C(=O)CC1=CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735818296 598395015 /nfs/dbraw/zinc/39/50/15/598395015.db2.gz LOUCGQSDQZSLML-UHFFFAOYSA-N -1 3 339.443 3.746 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C[C@@H](c1ccccc1)C(C)C ZINC000737291754 598657339 /nfs/dbraw/zinc/65/73/39/598657339.db2.gz OMUIEFKYYFZWSQ-QGZVFWFLSA-N -1 3 349.438 3.944 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C[C@@H](c1ccccc1)C(C)C ZINC000737291754 598657341 /nfs/dbraw/zinc/65/73/41/598657341.db2.gz OMUIEFKYYFZWSQ-QGZVFWFLSA-N -1 3 349.438 3.944 20 0 EHADHM Fc1cccc2c1CC[C@@H]2Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000737664701 598794778 /nfs/dbraw/zinc/79/47/78/598794778.db2.gz NGPKYJGJDJDJNC-AWEZNQCLSA-N -1 3 329.766 3.759 20 0 EHADHM Fc1cccc2c1CC[C@@H]2Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000737664701 598794779 /nfs/dbraw/zinc/79/47/79/598794779.db2.gz NGPKYJGJDJDJNC-AWEZNQCLSA-N -1 3 329.766 3.759 20 0 EHADHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735597668 599305034 /nfs/dbraw/zinc/30/50/34/599305034.db2.gz RRJTUBGRIKXTRW-IAQYHMDHSA-N -1 3 349.866 3.773 20 0 EHADHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735597668 599305035 /nfs/dbraw/zinc/30/50/35/599305035.db2.gz RRJTUBGRIKXTRW-IAQYHMDHSA-N -1 3 349.866 3.773 20 0 EHADHM CCN(C(=O)c1ccc(C(C)(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504991 599311810 /nfs/dbraw/zinc/31/18/10/599311810.db2.gz FLNRBCSKGMCGHR-UHFFFAOYSA-N -1 3 349.438 3.831 20 0 EHADHM CCN(C(=O)c1ccc(C(C)(C)C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736504991 599311812 /nfs/dbraw/zinc/31/18/12/599311812.db2.gz FLNRBCSKGMCGHR-UHFFFAOYSA-N -1 3 349.438 3.831 20 0 EHADHM COc1ccc2nc(N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)ccc2c1 ZINC000821853950 599355576 /nfs/dbraw/zinc/35/55/76/599355576.db2.gz DERVYQIRDGVBKA-LBPRGKRZSA-N -1 3 346.394 3.597 20 0 EHADHM COc1ccc2nc(N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)ccc2c1 ZINC000821853950 599355579 /nfs/dbraw/zinc/35/55/79/599355579.db2.gz DERVYQIRDGVBKA-LBPRGKRZSA-N -1 3 346.394 3.597 20 0 EHADHM CC(C)Oc1ccc(NCc2ccc(F)c(F)c2)cc1-c1nnn[n-]1 ZINC000820173955 607372411 /nfs/dbraw/zinc/37/24/11/607372411.db2.gz NVIDMMASENTVOZ-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM CC(C)Oc1ccc(NCc2ccc(F)c(F)c2)cc1-c1nn[n-]n1 ZINC000820173955 607372412 /nfs/dbraw/zinc/37/24/12/607372412.db2.gz NVIDMMASENTVOZ-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM CCCCc1noc([C@@H](C)SCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000736466815 599451452 /nfs/dbraw/zinc/45/14/52/599451452.db2.gz ONBUZNOKXMMFLV-LLVKDONJSA-N -1 3 344.444 3.587 20 0 EHADHM CCCCc1noc([C@@H](C)SCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736466815 599451453 /nfs/dbraw/zinc/45/14/53/599451453.db2.gz ONBUZNOKXMMFLV-LLVKDONJSA-N -1 3 344.444 3.587 20 0 EHADHM Cc1nccc(Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000822472431 599498735 /nfs/dbraw/zinc/49/87/35/599498735.db2.gz SNLPYMCSNHOAQW-UHFFFAOYSA-N -1 3 345.366 3.501 20 0 EHADHM CCCOc1ccc([C@@H](C)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821134455 599502556 /nfs/dbraw/zinc/50/25/56/599502556.db2.gz VRRKOQLAQQKXAT-GFCCVEGCSA-N -1 3 341.390 3.968 20 0 EHADHM CCCOc1ccc([C@@H](C)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821134455 599502559 /nfs/dbraw/zinc/50/25/59/599502559.db2.gz VRRKOQLAQQKXAT-GFCCVEGCSA-N -1 3 341.390 3.968 20 0 EHADHM COc1ccc2c(c1)CCC[C@H]2Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821849740 599503758 /nfs/dbraw/zinc/50/37/58/599503758.db2.gz OZMWVUYCVXHYJC-MRXNPFEDSA-N -1 3 339.374 3.504 20 0 EHADHM COc1ccc2c(c1)CCC[C@H]2Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821849740 599503760 /nfs/dbraw/zinc/50/37/60/599503760.db2.gz OZMWVUYCVXHYJC-MRXNPFEDSA-N -1 3 339.374 3.504 20 0 EHADHM Cc1cccc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)c1 ZINC000737393788 599521297 /nfs/dbraw/zinc/52/12/97/599521297.db2.gz LIUOPBXWWMNMIY-UHFFFAOYSA-N -1 3 333.317 3.806 20 0 EHADHM Cc1ccccc1[C@H]1C[C@@H](C)N(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000737419706 599526690 /nfs/dbraw/zinc/52/66/90/599526690.db2.gz APTFGMWSEDMWMC-KGLIPLIRSA-N -1 3 337.402 3.697 20 0 EHADHM Cc1ccccc1[C@H]1C[C@@H](C)N(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000737419706 599526692 /nfs/dbraw/zinc/52/66/92/599526692.db2.gz APTFGMWSEDMWMC-KGLIPLIRSA-N -1 3 337.402 3.697 20 0 EHADHM CCc1ccc([C@H](C)CC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000736689979 599540454 /nfs/dbraw/zinc/54/04/54/599540454.db2.gz UHRSORVSENAEGR-LLVKDONJSA-N -1 3 341.440 3.623 20 0 EHADHM CCc1ccc([C@H](C)CC(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC000736689979 599540456 /nfs/dbraw/zinc/54/04/56/599540456.db2.gz UHRSORVSENAEGR-LLVKDONJSA-N -1 3 341.440 3.623 20 0 EHADHM Cc1ccc2c(c1)[C@H](Nc1c(Cl)cccc1-c1nnn[n-]1)CC2 ZINC000822275653 599541952 /nfs/dbraw/zinc/54/19/52/599541952.db2.gz YAXVKGAQQVZZMS-OAHLLOKOSA-N -1 3 325.803 3.928 20 0 EHADHM Cc1ccc2c(c1)[C@H](Nc1c(Cl)cccc1-c1nn[n-]n1)CC2 ZINC000822275653 599541955 /nfs/dbraw/zinc/54/19/55/599541955.db2.gz YAXVKGAQQVZZMS-OAHLLOKOSA-N -1 3 325.803 3.928 20 0 EHADHM C[C@@H](OC(=O)c1cccc(F)c1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820512084 599621334 /nfs/dbraw/zinc/62/13/34/599621334.db2.gz GNAHBGWZNJPHAO-SECBINFHSA-N -1 3 346.749 3.577 20 0 EHADHM C[C@@H](OC(=O)c1cccc(F)c1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820512084 599621335 /nfs/dbraw/zinc/62/13/35/599621335.db2.gz GNAHBGWZNJPHAO-SECBINFHSA-N -1 3 346.749 3.577 20 0 EHADHM Cc1cc(CNC2(c3ccc(F)cc3)CC2)cc(C)c1OCC(=O)[O-] ZINC000738390418 599859964 /nfs/dbraw/zinc/85/99/64/599859964.db2.gz YTGALDNCCWUGQY-UHFFFAOYSA-N -1 3 343.398 3.685 20 0 EHADHM CC[C@H](C)[C@H](C)N(CC(=O)Nc1cc(C(=O)[O-])ccc1C)C1CC1 ZINC000736871019 600004461 /nfs/dbraw/zinc/00/44/61/600004461.db2.gz NKGCUWBFPIYZQZ-JSGCOSHPSA-N -1 3 332.444 3.531 20 0 EHADHM O=C([O-])c1occc1CN1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000740281611 600014720 /nfs/dbraw/zinc/01/47/20/600014720.db2.gz MQNFPLQFUFGIKN-MRXNPFEDSA-N -1 3 349.814 3.577 20 0 EHADHM COc1ccc([C@H]2CCCN2Cc2ccc(F)cc2C(=O)[O-])cc1 ZINC000569251048 600082950 /nfs/dbraw/zinc/08/29/50/600082950.db2.gz HMWKNJVYFKELOC-GOSISDBHSA-N -1 3 329.371 3.870 20 0 EHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccccc1C(C)(C)C ZINC000826250893 607428732 /nfs/dbraw/zinc/42/87/32/607428732.db2.gz XVPQLUOJZWDGQO-UHFFFAOYSA-N -1 3 335.411 3.725 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccccc1C(C)(C)C ZINC000826250893 607428733 /nfs/dbraw/zinc/42/87/33/607428733.db2.gz XVPQLUOJZWDGQO-UHFFFAOYSA-N -1 3 335.411 3.725 20 0 EHADHM CCCOc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2ccccc2)cc1OC ZINC000737032289 600424481 /nfs/dbraw/zinc/42/44/81/600424481.db2.gz YPRQONXAFAXYIT-KUHUBIRLSA-N -1 3 343.423 3.961 20 0 EHADHM CCOc1ccc(-c2nc(CN[C@](C)(C(=O)[O-])C3CC3)cs2)cc1 ZINC000830054210 601040028 /nfs/dbraw/zinc/04/00/28/601040028.db2.gz SVKYZKCQWVQHDK-SFHVURJKSA-N -1 3 346.452 3.552 20 0 EHADHM CSCCc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821970204 607489304 /nfs/dbraw/zinc/48/93/04/607489304.db2.gz LEURWWNCFKQINV-UHFFFAOYSA-N -1 3 343.431 3.523 20 0 EHADHM CSCCc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821970204 607489306 /nfs/dbraw/zinc/48/93/06/607489306.db2.gz LEURWWNCFKQINV-UHFFFAOYSA-N -1 3 343.431 3.523 20 0 EHADHM COc1ccc(-c2nc(CNC3(CC(=O)[O-])CCCCC3)co2)cc1 ZINC000832130097 601553496 /nfs/dbraw/zinc/55/34/96/601553496.db2.gz YSVGJRDEXQMBIV-UHFFFAOYSA-N -1 3 344.411 3.617 20 0 EHADHM CCc1oc(C(=O)[O-])cc1CN1CCC2(CC1)OCc1ccccc12 ZINC000830369134 601910529 /nfs/dbraw/zinc/91/05/29/601910529.db2.gz JNWPHBHOXHQZJA-UHFFFAOYSA-N -1 3 341.407 3.562 20 0 EHADHM O=C([O-])N1CCC(CCN[C@H](c2ccccc2)c2ccccn2)CC1 ZINC000740502503 602047363 /nfs/dbraw/zinc/04/73/63/602047363.db2.gz RXVZZYQTQZYZQU-LJQANCHMSA-N -1 3 339.439 3.541 20 0 EHADHM CCC(CC)(CC(=O)[O-])NCc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000828803932 602212095 /nfs/dbraw/zinc/21/20/95/602212095.db2.gz DQIFDHYWKXBLKQ-UHFFFAOYSA-N -1 3 345.443 3.983 20 0 EHADHM CC[C@](C)(CC(=O)[O-])NCc1csc(CCc2ccccc2)n1 ZINC000828673043 602222050 /nfs/dbraw/zinc/22/20/50/602222050.db2.gz ZTXHFBDBMBQWCQ-GOSISDBHSA-N -1 3 332.469 3.661 20 0 EHADHM C[C@@H](NC(=O)[O-])c1ccc(CN[C@@H]2CCc3ccc(F)cc32)cc1 ZINC000825397857 604303916 /nfs/dbraw/zinc/30/39/16/604303916.db2.gz QXQPFEQCXFERTL-KZULUSFZSA-N -1 3 328.387 3.931 20 0 EHADHM C[C@@H](C[C@@H](O)c1cccs1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000824391702 607733281 /nfs/dbraw/zinc/73/32/81/607733281.db2.gz JLOOGSAPENKUOR-TVQRCGJNSA-N -1 3 349.847 3.506 20 0 EHADHM C[C@@H](C[C@@H](O)c1cccs1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000824391702 607733283 /nfs/dbraw/zinc/73/32/83/607733283.db2.gz JLOOGSAPENKUOR-TVQRCGJNSA-N -1 3 349.847 3.506 20 0 EHADHM COc1ccc([C@H](C)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1 ZINC000829302872 605119838 /nfs/dbraw/zinc/11/98/38/605119838.db2.gz KYHATORCXJJHIJ-UONOGXRCSA-N -1 3 328.412 3.875 20 0 EHADHM CC1=C(C(=O)[O-])C[C@@H](CN[C@@H](CC(F)(F)F)c2ccc(F)cc2)O1 ZINC000833580943 605386525 /nfs/dbraw/zinc/38/65/25/605386525.db2.gz SYAVHVQIJMQKII-JSGCOSHPSA-N -1 3 347.308 3.556 20 0 EHADHM CC(=CC(=O)Nc1sccc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000819766324 606121018 /nfs/dbraw/zinc/12/10/18/606121018.db2.gz WQPWINIEWBUZDD-CLFYSBASSA-N -1 3 345.815 3.624 20 0 EHADHM CC(=CC(=O)Nc1sccc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000819766324 606121019 /nfs/dbraw/zinc/12/10/19/606121019.db2.gz WQPWINIEWBUZDD-CLFYSBASSA-N -1 3 345.815 3.624 20 0 EHADHM CSc1ccccc1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821984796 606358598 /nfs/dbraw/zinc/35/85/98/606358598.db2.gz TUKVWVTUJZAJFG-NSHDSACASA-N -1 3 340.408 3.507 20 0 EHADHM CSc1ccccc1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821984796 606358600 /nfs/dbraw/zinc/35/86/00/606358600.db2.gz TUKVWVTUJZAJFG-NSHDSACASA-N -1 3 340.408 3.507 20 0 EHADHM Cc1c(Br)cccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000822016331 606455701 /nfs/dbraw/zinc/45/57/01/606455701.db2.gz XQSDWQKPLUKRCQ-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM Cc1c(Br)cccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000822016331 606455703 /nfs/dbraw/zinc/45/57/03/606455703.db2.gz XQSDWQKPLUKRCQ-UHFFFAOYSA-N -1 3 344.216 3.550 20 0 EHADHM Fc1ccc(NCc2csc(C3CCCC3)n2)cc1-c1nnn[n-]1 ZINC000822783035 606656740 /nfs/dbraw/zinc/65/67/40/606656740.db2.gz RMDKQGVZBIEHKG-UHFFFAOYSA-N -1 3 344.419 3.732 20 0 EHADHM Fc1ccc(NCc2csc(C3CCCC3)n2)cc1-c1nn[n-]n1 ZINC000822783035 606656741 /nfs/dbraw/zinc/65/67/41/606656741.db2.gz RMDKQGVZBIEHKG-UHFFFAOYSA-N -1 3 344.419 3.732 20 0 EHADHM O=C(C=C1CCC1)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000822917064 606673891 /nfs/dbraw/zinc/67/38/91/606673891.db2.gz MSKUDIOPGMOQFD-UHFFFAOYSA-N -1 3 343.456 3.636 20 0 EHADHM O=C(C=C1CCC1)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000822917064 606673892 /nfs/dbraw/zinc/67/38/92/606673892.db2.gz MSKUDIOPGMOQFD-UHFFFAOYSA-N -1 3 343.456 3.636 20 0 EHADHM Fc1ccc2oc(C(Cl)=Cc3ccc(-c4nnn[n-]4)s3)nc2c1 ZINC000822786424 606764126 /nfs/dbraw/zinc/76/41/26/606764126.db2.gz JWVYXNPLCOJBDY-TWGQIWQCSA-N -1 3 347.762 3.945 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCC[C@H]1CC(C)C ZINC000822217358 606906661 /nfs/dbraw/zinc/90/66/61/606906661.db2.gz BZOAMVOMGIEIOL-HNNXBMFYSA-N -1 3 342.447 3.608 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCC[C@H]1CC(C)C ZINC000822217358 606906663 /nfs/dbraw/zinc/90/66/63/606906663.db2.gz BZOAMVOMGIEIOL-HNNXBMFYSA-N -1 3 342.447 3.608 20 0 EHADHM CC[C@H](CC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1)C(C)C ZINC000820882172 606964439 /nfs/dbraw/zinc/96/44/39/606964439.db2.gz LUMWSCLJUVFQML-LLVKDONJSA-N -1 3 335.839 3.555 20 0 EHADHM CC[C@H](CC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1)C(C)C ZINC000820882172 606964441 /nfs/dbraw/zinc/96/44/41/606964441.db2.gz LUMWSCLJUVFQML-LLVKDONJSA-N -1 3 335.839 3.555 20 0 EHADHM Cc1cc(COc2cc(-c3nnn[n-]3)ccc2C)c2ccccc2n1 ZINC000822201111 607029245 /nfs/dbraw/zinc/02/92/45/607029245.db2.gz RBMLYKFQANFNGW-UHFFFAOYSA-N -1 3 331.379 3.611 20 0 EHADHM Cc1cc(COc2cc(-c3nn[n-]n3)ccc2C)c2ccccc2n1 ZINC000822201111 607029247 /nfs/dbraw/zinc/02/92/47/607029247.db2.gz RBMLYKFQANFNGW-UHFFFAOYSA-N -1 3 331.379 3.611 20 0 EHADHM CCC(=CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C)CC ZINC000820832890 607034272 /nfs/dbraw/zinc/03/42/72/607034272.db2.gz PEWJYVQOLYLMGE-UHFFFAOYSA-N -1 3 341.459 3.598 20 0 EHADHM CCC(=CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C)CC ZINC000820832890 607034274 /nfs/dbraw/zinc/03/42/74/607034274.db2.gz PEWJYVQOLYLMGE-UHFFFAOYSA-N -1 3 341.459 3.598 20 0 EHADHM Fc1ccc(-c2nnn[n-]2)c(CSc2ccnc3ccccc32)c1 ZINC000822758116 607040044 /nfs/dbraw/zinc/04/00/44/607040044.db2.gz JKGHVSKPNAVXGN-UHFFFAOYSA-N -1 3 337.383 3.846 20 0 EHADHM Fc1ccc(-c2nn[n-]n2)c(CSc2ccnc3ccccc32)c1 ZINC000822758116 607040045 /nfs/dbraw/zinc/04/00/45/607040045.db2.gz JKGHVSKPNAVXGN-UHFFFAOYSA-N -1 3 337.383 3.846 20 0 EHADHM Cc1cc2ccccc2nc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822212941 607173155 /nfs/dbraw/zinc/17/31/55/607173155.db2.gz NQEVCYCAAFFJHB-ZDUSSCGKSA-N -1 3 330.395 3.896 20 0 EHADHM Cc1cc2ccccc2nc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822212941 607173156 /nfs/dbraw/zinc/17/31/56/607173156.db2.gz NQEVCYCAAFFJHB-ZDUSSCGKSA-N -1 3 330.395 3.896 20 0 EHADHM C[C@@H]1CCC[C@H](C)N(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820697745 607194636 /nfs/dbraw/zinc/19/46/36/607194636.db2.gz LIFIHIIUZJQCHL-MNOVXSKESA-N -1 3 348.838 3.563 20 0 EHADHM C[C@@H]1CCC[C@H](C)N(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820697745 607194637 /nfs/dbraw/zinc/19/46/37/607194637.db2.gz LIFIHIIUZJQCHL-MNOVXSKESA-N -1 3 348.838 3.563 20 0 EHADHM FC(F)(F)c1ccc(-c2nnn[n-]2)cc1NCc1cccs1 ZINC000822724119 607226884 /nfs/dbraw/zinc/22/68/84/607226884.db2.gz ZNFJHJBVEODTCW-UHFFFAOYSA-N -1 3 325.319 3.559 20 0 EHADHM FC(F)(F)c1ccc(-c2nn[n-]n2)cc1NCc1cccs1 ZINC000822724119 607226885 /nfs/dbraw/zinc/22/68/85/607226885.db2.gz ZNFJHJBVEODTCW-UHFFFAOYSA-N -1 3 325.319 3.559 20 0 EHADHM Cc1cnc(Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)nc1 ZINC000826319047 607966576 /nfs/dbraw/zinc/96/65/76/607966576.db2.gz MCVRAJGYLFNWBD-UHFFFAOYSA-N -1 3 346.350 3.550 20 0 EHADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cccc(-c2ccoc2)c1 ZINC000826454726 608029108 /nfs/dbraw/zinc/02/91/08/608029108.db2.gz IQCCYQWYHHTWGG-UHFFFAOYSA-N -1 3 349.325 3.518 20 0 EHADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cccc(-c2ccoc2)c1 ZINC000826454726 608029109 /nfs/dbraw/zinc/02/91/09/608029109.db2.gz IQCCYQWYHHTWGG-UHFFFAOYSA-N -1 3 349.325 3.518 20 0 EHADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)C(CC)CC ZINC000825313765 608053980 /nfs/dbraw/zinc/05/39/80/608053980.db2.gz QKODOZLSACRZPR-CQSZACIVSA-N -1 3 343.475 3.678 20 0 EHADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](C)C(CC)CC ZINC000825313765 608053981 /nfs/dbraw/zinc/05/39/81/608053981.db2.gz QKODOZLSACRZPR-CQSZACIVSA-N -1 3 343.475 3.678 20 0 EHADHM C[C@@H]1CN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)Cc2ccccc21 ZINC000824998932 608221186 /nfs/dbraw/zinc/22/11/86/608221186.db2.gz AIIWJAZCBGJOLU-CYBMUJFWSA-N -1 3 342.406 3.539 20 0 EHADHM C[C@@H]1CN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)Cc2ccccc21 ZINC000824998932 608221188 /nfs/dbraw/zinc/22/11/88/608221188.db2.gz AIIWJAZCBGJOLU-CYBMUJFWSA-N -1 3 342.406 3.539 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H](c2ccc(Cl)cc2)C2CC2)n1 ZINC000826275247 608270884 /nfs/dbraw/zinc/27/08/84/608270884.db2.gz UBZRSNDHVAOSQD-OAHLLOKOSA-N -1 3 340.818 3.787 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H](c2ccc(Cl)cc2)C2CC2)n1 ZINC000826275247 608270886 /nfs/dbraw/zinc/27/08/86/608270886.db2.gz UBZRSNDHVAOSQD-OAHLLOKOSA-N -1 3 340.818 3.787 20 0 EHADHM Cc1ccc([C@H](C)Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)s1 ZINC000826282872 608277719 /nfs/dbraw/zinc/27/77/19/608277719.db2.gz DTNSEVPMWLOAJF-NSHDSACASA-N -1 3 340.456 3.684 20 0 EHADHM Cc1ccc([C@H](C)Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)s1 ZINC000826282872 608277720 /nfs/dbraw/zinc/27/77/20/608277720.db2.gz DTNSEVPMWLOAJF-NSHDSACASA-N -1 3 340.456 3.684 20 0 EHADHM CC[C@@H](NCc1cc(-c2nn[n-]n2)ccc1F)c1cc(F)ccc1F ZINC000825140542 608284103 /nfs/dbraw/zinc/28/41/03/608284103.db2.gz KOJFEDLBEXHFDE-MRXNPFEDSA-N -1 3 347.344 3.525 20 0 EHADHM Fc1c(CNc2ccc(Cl)c(Cl)c2)cccc1-c1nnn[n-]1 ZINC000826371070 608479619 /nfs/dbraw/zinc/47/96/19/608479619.db2.gz RBVZUUHIUXGCEF-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM Fc1c(CNc2ccc(Cl)c(Cl)c2)cccc1-c1nn[n-]n1 ZINC000826371070 608479621 /nfs/dbraw/zinc/47/96/21/608479621.db2.gz RBVZUUHIUXGCEF-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM Clc1ccc2c(c1)OCCC[C@H]2Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826352743 608588195 /nfs/dbraw/zinc/58/81/95/608588195.db2.gz MMJGYIQSJPKLHS-OAHLLOKOSA-N -1 3 341.802 3.846 20 0 EHADHM Fc1ccc([C@H]2CCCN2Cc2ccc(-c3nnn[n-]3)s2)cc1F ZINC000826374236 608702377 /nfs/dbraw/zinc/70/23/77/608702377.db2.gz RAZXHEKTSDBZHN-CQSZACIVSA-N -1 3 347.394 3.544 20 0 EHADHM Fc1ccc([C@H]2CCCN2Cc2ccc(-c3nn[n-]n3)s2)cc1F ZINC000826374236 608702379 /nfs/dbraw/zinc/70/23/79/608702379.db2.gz RAZXHEKTSDBZHN-CQSZACIVSA-N -1 3 347.394 3.544 20 0 EHADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000826323452 608745366 /nfs/dbraw/zinc/74/53/66/608745366.db2.gz FCCLIPUJGHHXIZ-NSHDSACASA-N -1 3 346.460 3.541 20 0 EHADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000826323452 608745371 /nfs/dbraw/zinc/74/53/71/608745371.db2.gz FCCLIPUJGHHXIZ-NSHDSACASA-N -1 3 346.460 3.541 20 0 EHADHM C[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)c1cccc(F)c1F ZINC000824532239 609155464 /nfs/dbraw/zinc/15/54/64/609155464.db2.gz SWVMRLBNYVRABR-VHSXEESVSA-N -1 3 347.344 3.696 20 0 EHADHM C[C@@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)c1cccc(F)c1F ZINC000824532239 609155463 /nfs/dbraw/zinc/15/54/63/609155463.db2.gz SWVMRLBNYVRABR-VHSXEESVSA-N -1 3 347.344 3.696 20 0 EHADHM CCOCc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000825605253 609247652 /nfs/dbraw/zinc/24/76/52/609247652.db2.gz SGKOTOOGMCUDRY-LBPRGKRZSA-N -1 3 341.390 3.715 20 0 EHADHM CCOCc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000825605253 609247654 /nfs/dbraw/zinc/24/76/54/609247654.db2.gz SGKOTOOGMCUDRY-LBPRGKRZSA-N -1 3 341.390 3.715 20 0 EHADHM CC(C)Oc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000824329451 609254283 /nfs/dbraw/zinc/25/42/83/609254283.db2.gz QKOFAPKUTZXQAV-GFCCVEGCSA-N -1 3 341.390 3.966 20 0 EHADHM CC(C)Oc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000824329451 609254285 /nfs/dbraw/zinc/25/42/85/609254285.db2.gz QKOFAPKUTZXQAV-GFCCVEGCSA-N -1 3 341.390 3.966 20 0 EHADHM CC[C@H](C)n1nc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000825081045 609254893 /nfs/dbraw/zinc/25/48/93/609254893.db2.gz DUCKPLQZUKQUKX-WCQYABFASA-N -1 3 325.420 3.516 20 0 EHADHM CC[C@H](C)n1nc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000825081045 609254894 /nfs/dbraw/zinc/25/48/94/609254894.db2.gz DUCKPLQZUKQUKX-WCQYABFASA-N -1 3 325.420 3.516 20 0 EHADHM COc1ccc(Cl)cc1N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826208496 609272461 /nfs/dbraw/zinc/27/24/61/609272461.db2.gz NEGUGVCCZKBPCC-SNVBAGLBSA-N -1 3 329.791 3.702 20 0 EHADHM COc1ccc(Cl)cc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826208496 609272463 /nfs/dbraw/zinc/27/24/63/609272463.db2.gz NEGUGVCCZKBPCC-SNVBAGLBSA-N -1 3 329.791 3.702 20 0 EHADHM COc1ccc(Cl)cc1N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826208495 609272746 /nfs/dbraw/zinc/27/27/46/609272746.db2.gz NEGUGVCCZKBPCC-JTQLQIEISA-N -1 3 329.791 3.702 20 0 EHADHM COc1ccc(Cl)cc1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826208495 609272747 /nfs/dbraw/zinc/27/27/47/609272747.db2.gz NEGUGVCCZKBPCC-JTQLQIEISA-N -1 3 329.791 3.702 20 0 EHADHM COc1ccc(Cl)c(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826208639 609281521 /nfs/dbraw/zinc/28/15/21/609281521.db2.gz TYEVDNGYUXIZQL-JTQLQIEISA-N -1 3 329.791 3.702 20 0 EHADHM COc1ccc(Cl)c(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826208639 609281523 /nfs/dbraw/zinc/28/15/23/609281523.db2.gz TYEVDNGYUXIZQL-JTQLQIEISA-N -1 3 329.791 3.702 20 0 EHADHM CCOc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000825654328 609346117 /nfs/dbraw/zinc/34/61/17/609346117.db2.gz XIOPZBCYAQFBKY-NSHDSACASA-N -1 3 327.363 3.578 20 0 EHADHM CCOc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000825654328 609346118 /nfs/dbraw/zinc/34/61/18/609346118.db2.gz XIOPZBCYAQFBKY-NSHDSACASA-N -1 3 327.363 3.578 20 0 EHADHM Cc1c(NCc2cccc(-c3cccnc3)c2)cccc1-c1nnn[n-]1 ZINC000826242171 609489184 /nfs/dbraw/zinc/48/91/84/609489184.db2.gz CXNUGRFBKNMYOE-UHFFFAOYSA-N -1 3 342.406 3.849 20 0 EHADHM Cc1c(NCc2cccc(-c3cccnc3)c2)cccc1-c1nn[n-]n1 ZINC000826242171 609489186 /nfs/dbraw/zinc/48/91/86/609489186.db2.gz CXNUGRFBKNMYOE-UHFFFAOYSA-N -1 3 342.406 3.849 20 0 EHADHM C[C@H](NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824864345 609521546 /nfs/dbraw/zinc/52/15/46/609521546.db2.gz AMAOYOIJMBIUJN-DVOMOZLQSA-N -1 3 341.459 3.506 20 0 EHADHM C[C@H](NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824864345 609521549 /nfs/dbraw/zinc/52/15/49/609521549.db2.gz AMAOYOIJMBIUJN-DVOMOZLQSA-N -1 3 341.459 3.506 20 0 EHADHM Cc1ccnc(Nc2ccc(COC(C)(C)C)cc2)c1-c1nnn[n-]1 ZINC000826315055 609572933 /nfs/dbraw/zinc/57/29/33/609572933.db2.gz XFAVPIQMNXLSQA-UHFFFAOYSA-N -1 3 338.415 3.629 20 0 EHADHM Cc1ccnc(Nc2ccc(COC(C)(C)C)cc2)c1-c1nn[n-]n1 ZINC000826315055 609572936 /nfs/dbraw/zinc/57/29/36/609572936.db2.gz XFAVPIQMNXLSQA-UHFFFAOYSA-N -1 3 338.415 3.629 20 0 EHADHM C[C@H]1C[C@H](C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)C[C@@H](C)C1 ZINC000824874872 609592412 /nfs/dbraw/zinc/59/24/12/609592412.db2.gz HAVJZDNOZRHGAQ-GDNZZTSVSA-N -1 3 347.850 3.555 20 0 EHADHM C[C@H]1C[C@H](C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)C[C@@H](C)C1 ZINC000824874872 609592415 /nfs/dbraw/zinc/59/24/15/609592415.db2.gz HAVJZDNOZRHGAQ-GDNZZTSVSA-N -1 3 347.850 3.555 20 0 EHADHM CC(C)(C)Oc1ccccc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000819951218 945317754 /nfs/dbraw/zinc/31/77/54/945317754.db2.gz OXHSJFJMLQUUTL-UHFFFAOYSA-N -1 3 329.429 3.718 20 0 EHADHM CC(C)(C)Oc1ccccc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000819951218 945317762 /nfs/dbraw/zinc/31/77/62/945317762.db2.gz OXHSJFJMLQUUTL-UHFFFAOYSA-N -1 3 329.429 3.718 20 0 EHADHM Cc1cc(CCCC(=O)Nc2cccc(-c3nnn[n-]3)c2)c(C)s1 ZINC000084579738 944607757 /nfs/dbraw/zinc/60/77/57/944607757.db2.gz KYLGAMILZMBRIK-UHFFFAOYSA-N -1 3 341.440 3.506 20 0 EHADHM Cc1cc(CCCC(=O)Nc2cccc(-c3nn[n-]n3)c2)c(C)s1 ZINC000084579738 944607762 /nfs/dbraw/zinc/60/77/62/944607762.db2.gz KYLGAMILZMBRIK-UHFFFAOYSA-N -1 3 341.440 3.506 20 0 EHADHM CC(C)c1nc([C@@H](C)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000824358206 946667074 /nfs/dbraw/zinc/66/70/74/946667074.db2.gz BRIYFPAWPJOGNL-VXGBXAGGSA-N -1 3 342.472 3.858 20 0 EHADHM C[C@H](NCC(F)(F)F)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824571049 946811567 /nfs/dbraw/zinc/81/15/67/946811567.db2.gz PKKUBZNJWMMMGN-NSHDSACASA-N -1 3 347.344 3.747 20 0 EHADHM C[C@H](NCC(F)(F)F)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824571049 946811576 /nfs/dbraw/zinc/81/15/76/946811576.db2.gz PKKUBZNJWMMMGN-NSHDSACASA-N -1 3 347.344 3.747 20 0 EHADHM C[C@@H](OC(=O)CCCc1ccsc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824712727 946906930 /nfs/dbraw/zinc/90/69/30/946906930.db2.gz CATSZTJDAVLIDV-GFCCVEGCSA-N -1 3 342.424 3.555 20 0 EHADHM C[C@@H](OC(=O)CCCc1ccsc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824712727 946906938 /nfs/dbraw/zinc/90/69/38/946906938.db2.gz CATSZTJDAVLIDV-GFCCVEGCSA-N -1 3 342.424 3.555 20 0 EHADHM 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/nfs/dbraw/zinc/60/32/29/947603229.db2.gz OXYHHJAMUGJDBT-UHFFFAOYSA-N -1 3 341.440 3.518 20 0 EHADHM COc1ccc(CNc2cc(SC)ccc2C)cc1-c1nn[n-]n1 ZINC000826203455 947603231 /nfs/dbraw/zinc/60/32/31/947603231.db2.gz OXYHHJAMUGJDBT-UHFFFAOYSA-N -1 3 341.440 3.518 20 0 EHADHM C=Cc1ccc(C(=O)Oc2cc(C)c(-c3nn[n-]n3)c(C)c2C)cc1 ZINC001573358241 947660032 /nfs/dbraw/zinc/66/00/32/947660032.db2.gz DEDCKLWPCWUCSH-UHFFFAOYSA-N -1 3 334.379 3.654 20 0 EHADHM CC(=CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)c1cccs1 ZINC001573363200 947709233 /nfs/dbraw/zinc/70/92/33/947709233.db2.gz MHVOGNQHXCGEOP-FPLPWBNLSA-N -1 3 345.453 3.649 20 0 EHADHM CC(=CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)c1cccs1 ZINC001573363200 947709241 /nfs/dbraw/zinc/70/92/41/947709241.db2.gz MHVOGNQHXCGEOP-FPLPWBNLSA-N -1 3 345.453 3.649 20 0 EHADHM CC(=Cc1ccc(Cl)cc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001573363554 947713465 /nfs/dbraw/zinc/71/34/65/947713465.db2.gz DEVHVJOVZBEULE-ZHACJKMWSA-N -1 3 340.770 3.529 20 0 EHADHM CC(=Cc1ccc(Cl)cc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001573363554 947713473 /nfs/dbraw/zinc/71/34/73/947713473.db2.gz DEVHVJOVZBEULE-ZHACJKMWSA-N -1 3 340.770 3.529 20 0 EHADHM Cc1cccc(CN[C@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)c1 ZINC000826298272 947862931 /nfs/dbraw/zinc/86/29/31/947862931.db2.gz LIPFBSBSLFKHTQ-OAHLLOKOSA-N -1 3 347.344 3.568 20 0 EHADHM Cc1cccc(CN[C@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)c1 ZINC000826298272 947862939 /nfs/dbraw/zinc/86/29/39/947862939.db2.gz LIPFBSBSLFKHTQ-OAHLLOKOSA-N -1 3 347.344 3.568 20 0 EHADHM c1ccc(Oc2ccccc2CNc2cnccc2-c2nnn[n-]2)cc1 ZINC000826522880 948457216 /nfs/dbraw/zinc/45/72/16/948457216.db2.gz RYHFNHGWAJXLQM-UHFFFAOYSA-N -1 3 344.378 3.666 20 0 EHADHM c1ccc(Oc2ccccc2CNc2cnccc2-c2nn[n-]n2)cc1 ZINC000826522880 948457220 /nfs/dbraw/zinc/45/72/20/948457220.db2.gz RYHFNHGWAJXLQM-UHFFFAOYSA-N -1 3 344.378 3.666 20 0 EHADHM O=C([O-])c1ccc(CN(Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC001595226253 949298558 /nfs/dbraw/zinc/29/85/58/949298558.db2.gz 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333.771 3.654 20 0 EHADHM CC1(C)CN(C(=O)NCc2ccc([O-])c(F)c2)C[C@@H]1c1ccccc1 ZINC000433833754 1019682670 /nfs/dbraw/zinc/68/26/70/1019682670.db2.gz OWIVVXQDQCDLGF-MRXNPFEDSA-N -1 3 342.414 3.867 20 0 EHADHM O=C(Nc1cccc(Oc2cccnn2)c1)c1cc([O-])ccc1Cl ZINC000340734392 1019742593 /nfs/dbraw/zinc/74/25/93/1019742593.db2.gz FQPWHBAMKJRKCD-UHFFFAOYSA-N -1 3 341.754 3.880 20 0 EHADHM C[C@@H]1CC[C@H](C)N1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000122983787 1019810275 /nfs/dbraw/zinc/81/02/75/1019810275.db2.gz XQUYMXBMEOYESU-PHIMTYICSA-N -1 3 329.425 3.617 20 0 EHADHM Cc1nc(C(C)(C)C)sc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000061194969 1020209859 /nfs/dbraw/zinc/20/98/59/1020209859.db2.gz ZVOBODKNFZQBFU-UHFFFAOYSA-N -1 3 332.401 3.790 20 0 EHADHM COc1cc(CNC(=O)c2cc([O-])ccc2Cl)c2ccccc2n1 ZINC000340826831 1020286157 /nfs/dbraw/zinc/28/61/57/1020286157.db2.gz OVLDGMPWTJKPNY-UHFFFAOYSA-N -1 3 342.782 3.532 20 0 EHADHM CC(=O)c1csc(C(=O)[N-]c2nnc(C=Cc3ccco3)s2)c1 ZINC000255916970 1020293505 /nfs/dbraw/zinc/29/35/05/1020293505.db2.gz SNUMJSNWXWEVAI-PLNGDYQASA-N -1 3 345.405 3.818 20 0 EHADHM Cc1ccccc1-c1cnc(CN2CCCC[C@H]2CCC(=O)[O-])o1 ZINC000581006258 1020351261 /nfs/dbraw/zinc/35/12/61/1020351261.db2.gz YILDWWMKIQMTNS-HNNXBMFYSA-N -1 3 328.412 3.869 20 0 EHADHM C[C@@H]1C[C@H](NC(=O)NCc2ncccc2[O-])C[C@@H](c2ccccc2)C1 ZINC000581058894 1020391965 /nfs/dbraw/zinc/39/19/65/1020391965.db2.gz DQCHENBXIWSLEO-XIRDDKMYSA-N -1 3 339.439 3.559 20 0 EHADHM CC[C@H](C)n1ncc(NC(=O)Cc2ccc([O-])c(F)c2)c1C1CC1 ZINC000581112586 1020438377 /nfs/dbraw/zinc/43/83/77/1020438377.db2.gz XZGIKPOWPYDRLA-NSHDSACASA-N -1 3 331.391 3.757 20 0 EHADHM O=c1ncc(C(F)(F)F)c(O[C@H]2CCc3ccc(Cl)cc32)[n-]1 ZINC001225577380 1020525686 /nfs/dbraw/zinc/52/56/86/1020525686.db2.gz WHRWEXJWOWXVTF-NSHDSACASA-N -1 3 330.693 3.921 20 0 EHADHM O=C([N-]c1cc(F)cc(F)c1F)c1cnc(-c2cccnc2)s1 ZINC000558241469 1020553116 /nfs/dbraw/zinc/55/31/16/1020553116.db2.gz PVXQISHFBQXFDZ-UHFFFAOYSA-N -1 3 335.310 3.875 20 0 EHADHM Cc1ccc([O-])c(NC(=O)c2csc(-c3ccccc3C)n2)n1 ZINC000345932749 1020620181 /nfs/dbraw/zinc/62/01/81/1020620181.db2.gz IDFODUCLHOKOEX-UHFFFAOYSA-N -1 3 325.393 3.780 20 0 EHADHM CCc1cccc(C(=O)Nc2cc(NC(C)=O)ccc2Cl)c1[O-] ZINC000094036670 1032927023 /nfs/dbraw/zinc/92/70/23/1032927023.db2.gz NUFKXIAIYDOQTJ-UHFFFAOYSA-N -1 3 332.787 3.819 20 0 EHADHM CCO[C@H](C)c1ncc(C(=O)[N-]c2cc(C3(C)CCCC3)on2)s1 ZINC000581468806 1020938592 /nfs/dbraw/zinc/93/85/92/1020938592.db2.gz OEDQWRTVOIKXJP-LLVKDONJSA-N -1 3 349.456 3.735 20 0 EHADHM O=C(COc1cccc(F)c1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476138858 1032948111 /nfs/dbraw/zinc/94/81/11/1032948111.db2.gz FVORPDZDCLVVEG-UHFFFAOYSA-N -1 3 329.249 3.568 20 0 EHADHM Cc1ccc(-c2nc(NC(=O)c3cc([O-])c4ccccc4c3)n[nH]2)cc1 ZINC000684279480 1020989498 /nfs/dbraw/zinc/98/94/98/1020989498.db2.gz CPBSFIYAISFBBD-UHFFFAOYSA-N -1 3 344.374 3.891 20 0 EHADHM CCCCOc1ccc(C(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)c([O-])c1 ZINC000436788104 1021228979 /nfs/dbraw/zinc/22/89/79/1021228979.db2.gz TTYRACVAEMJIQN-DOTOQJQBSA-N -1 3 339.382 3.688 20 0 EHADHM Cc1ccc(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)c([O-])c1 ZINC000436793303 1021236485 /nfs/dbraw/zinc/23/64/85/1021236485.db2.gz KISPWHKCSLXCCE-UHFFFAOYSA-N -1 3 338.407 3.625 20 0 EHADHM COc1cccc(C(=O)Nc2cccc(NCC(F)(F)F)c2)c1[O-] ZINC000436792724 1021237954 /nfs/dbraw/zinc/23/79/54/1021237954.db2.gz PJFJQIPLVQXXIF-UHFFFAOYSA-N -1 3 340.301 3.627 20 0 EHADHM O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1ccccc1[O-] ZINC000436831691 1021265083 /nfs/dbraw/zinc/26/50/83/1021265083.db2.gz FZNNGGOZQYZPRJ-ZDUSSCGKSA-N -1 3 331.240 3.704 20 0 EHADHM CCc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000436835620 1021269615 /nfs/dbraw/zinc/26/96/15/1021269615.db2.gz BAOCZURSXKXWPY-VQIMIIECSA-N -1 3 343.398 3.744 20 0 EHADHM CC(C)(C)OC1CC(CCNC(=O)c2cc([O-])ccc2Cl)C1 ZINC000507466709 1021282072 /nfs/dbraw/zinc/28/20/72/1021282072.db2.gz UNHPYCFRSNFGJO-UHFFFAOYSA-N -1 3 325.836 3.759 20 0 EHADHM COc1cccc([C@@]2(C)CCN(Cc3ccc(C(=O)[O-])cc3F)C2)c1 ZINC000656764771 1021294309 /nfs/dbraw/zinc/29/43/09/1021294309.db2.gz FBFPCXATHSZTAV-FQEVSTJZSA-N -1 3 343.398 3.696 20 0 EHADHM COc1ccccc1[C@@H](CNC(=O)c1ccc(C)cc1[O-])OC(C)C ZINC000436866264 1021303841 /nfs/dbraw/zinc/30/38/41/1021303841.db2.gz XLQBUBFKWUIKQP-LJQANCHMSA-N -1 3 343.423 3.605 20 0 EHADHM CC(C)[C@@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CCO1 ZINC000436887432 1021340074 /nfs/dbraw/zinc/34/00/74/1021340074.db2.gz JTRSQQOOHAWTJJ-IBGZPJMESA-N -1 3 341.407 3.682 20 0 EHADHM Cc1cc(CN(C)C)cc(NC(=O)c2cc(F)cc(Cl)c2[O-])c1 ZINC000436903989 1021349128 /nfs/dbraw/zinc/34/91/28/1021349128.db2.gz OPCHJHLQGBNYBE-UHFFFAOYSA-N -1 3 336.794 3.807 20 0 EHADHM [O-]c1ccccc1-c1nc(Cc2nc3ccccc3n2C(F)F)no1 ZINC000436895375 1021361563 /nfs/dbraw/zinc/36/15/63/1021361563.db2.gz UQEDOEWQXFJNSO-UHFFFAOYSA-N -1 3 342.305 3.778 20 0 EHADHM CCCCOc1ccc(C(=O)N2CCCc3occc3C2)c([O-])c1 ZINC000436930519 1021367888 /nfs/dbraw/zinc/36/78/88/1021367888.db2.gz 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EHADHM C[C@@H]1CC[C@](CNCc2coc(-c3ccccc3)n2)(CC(=O)[O-])C1 ZINC000426640163 1022124083 /nfs/dbraw/zinc/12/40/83/1022124083.db2.gz QJFKGYQYJXBJSK-AUUYWEPGSA-N -1 3 328.412 3.712 20 0 EHADHM CC(C)CCOc1ccc(CN[C@@H](CC(=O)[O-])c2ccncc2)cc1 ZINC000517247826 1022166954 /nfs/dbraw/zinc/16/69/54/1022166954.db2.gz VUHNFLVNUAMIBD-IBGZPJMESA-N -1 3 342.439 3.812 20 0 EHADHM Cc1ccc(SC2(C(=O)NCc3ncccc3[O-])CCCC2)cc1 ZINC000473632105 1022283301 /nfs/dbraw/zinc/28/33/01/1022283301.db2.gz XEHYNKPAYCTNQJ-UHFFFAOYSA-N -1 3 342.464 3.817 20 0 EHADHM CC(C)(CC(=O)NCc1ncccc1[O-])Cc1ccc(Cl)cc1 ZINC000473639555 1022303856 /nfs/dbraw/zinc/30/38/56/1022303856.db2.gz DYOLYXKQNDDCFD-UHFFFAOYSA-N -1 3 332.831 3.716 20 0 EHADHM C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(F)ccc1[O-] ZINC000438149946 1022433547 /nfs/dbraw/zinc/43/35/47/1022433547.db2.gz IVMGKJIRRPRUDT-VIFPVBQESA-N -1 3 343.276 3.956 20 0 EHADHM COc1cc(C)ccc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000548360767 1022498883 /nfs/dbraw/zinc/49/88/83/1022498883.db2.gz AGRWZTVDFOUVNZ-UHFFFAOYSA-N -1 3 336.185 3.724 20 0 EHADHM C[C@@H]1Cc2ccccc2CN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469385938 1022514886 /nfs/dbraw/zinc/51/48/86/1022514886.db2.gz JZLCMMJOHFCJCK-CQSZACIVSA-N -1 3 327.399 3.827 20 0 EHADHM CN(CCc1cccc2ccccc21)Cc1nc(=O)c2sccc2[n-]1 ZINC000101556454 1022524682 /nfs/dbraw/zinc/52/46/82/1022524682.db2.gz MHTRFDLNLIPOHU-UHFFFAOYSA-N -1 3 349.459 3.812 20 0 EHADHM CC[C@@H]1CCCN1C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000517711422 1022599232 /nfs/dbraw/zinc/59/92/32/1022599232.db2.gz LOXRIBNRSUUSLD-OAHLLOKOSA-N -1 3 326.400 3.564 20 0 EHADHM COc1ccc([O-])c(C(=O)Nc2cccc(C)c2Br)c1 ZINC000131637161 1022603317 /nfs/dbraw/zinc/60/33/17/1022603317.db2.gz HIJJJYQFWOACSC-UHFFFAOYSA-N -1 3 336.185 3.724 20 0 EHADHM Cc1nnc([C@H]2Cc3ccccc3CN2Cc2ccc([O-])c(F)c2)o1 ZINC000891767789 1022605714 /nfs/dbraw/zinc/60/57/14/1022605714.db2.gz LNXAVYJGFJJLCL-QGZVFWFLSA-N -1 3 339.370 3.522 20 0 EHADHM CCCC(C)(C)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000341640489 1022750644 /nfs/dbraw/zinc/75/06/44/1022750644.db2.gz KSBDXYPFBRWHQE-UHFFFAOYSA-N -1 3 328.416 3.858 20 0 EHADHM CCS[C@@H]1CC[C@H](N(C)C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469408602 1022922181 /nfs/dbraw/zinc/92/21/81/1022922181.db2.gz UOGQEUQPFYXJOC-LSDHHAIUSA-N -1 3 339.476 3.987 20 0 EHADHM CCN(Cc1c[nH]c2ccccc12)C(=O)c1c[n-]c2ccccc2c1=O ZINC000188959817 1022925123 /nfs/dbraw/zinc/92/51/23/1022925123.db2.gz VFCQOEGSDDBDNN-UHFFFAOYSA-N -1 3 345.402 3.672 20 0 EHADHM C[C@@H]1CN(Cc2ccc(Cl)cc2Br)C[C@]1(C)C(=O)[O-] ZINC000579365208 1022949193 /nfs/dbraw/zinc/94/91/93/1022949193.db2.gz RPDKNFPRQMZULC-OTYXRUKQSA-N -1 3 346.652 3.645 20 0 EHADHM Cc1cc(Br)ccc1CNCc1ccccc1CC(=O)[O-] ZINC000426708014 1022991526 /nfs/dbraw/zinc/99/15/26/1022991526.db2.gz FWQLZUHZWGXKJF-UHFFFAOYSA-N -1 3 348.240 3.674 20 0 EHADHM C[C@H](C(=O)[O-])[C@H](NCc1cc(Cl)cc2c1OCC2)c1ccccc1 ZINC000426753178 1023023468 /nfs/dbraw/zinc/02/34/68/1023023468.db2.gz CFSIWDKYJRCOFQ-SJCJKPOMSA-N -1 3 345.826 3.827 20 0 EHADHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc3ncccc3c2)c1 ZINC000426772829 1023034937 /nfs/dbraw/zinc/03/49/37/1023034937.db2.gz LWSWWEBACSVWMD-IBGZPJMESA-N -1 3 336.391 3.549 20 0 EHADHM COc1cccc([C@H](CC(=O)[O-])NCc2cc3ccc(F)cc3[nH]2)c1 ZINC000426772898 1023035475 /nfs/dbraw/zinc/03/54/75/1023035475.db2.gz MHPLVRQGQUIZGT-KRWDZBQOSA-N -1 3 342.370 3.621 20 0 EHADHM COc1ccccc1[C@@H](NCc1ccc(CC(C)C)cc1)C(=O)[O-] ZINC000426781717 1023041570 /nfs/dbraw/zinc/04/15/70/1023041570.db2.gz CXSGHFLSAPEYHJ-LJQANCHMSA-N -1 3 327.424 3.809 20 0 EHADHM Cc1ccc2[nH]c(CN[C@@H](C(=O)[O-])c3cccc(F)c3)cc2c1C ZINC000426804625 1023057038 /nfs/dbraw/zinc/05/70/38/1023057038.db2.gz VGQPJKFLJKMCRB-GOSISDBHSA-N -1 3 326.371 3.839 20 0 EHADHM Cn1cnc2cc(CN[C@H](CC(=O)[O-])c3cccc(Cl)c3)ccc21 ZINC000426816664 1023063223 /nfs/dbraw/zinc/06/32/23/1023063223.db2.gz LNWIXNRHXJGJBU-OAHLLOKOSA-N -1 3 343.814 3.532 20 0 EHADHM CC(C)[C@@H](C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cccc(Cl)c1 ZINC000473851201 1023072056 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1134986689 /nfs/dbraw/zinc/98/66/89/1134986689.db2.gz BWUSLWBPYCEJGI-UHFFFAOYSA-N -1 3 348.196 3.836 20 0 EHADHM CSCCO[N-]C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000794190338 1135025863 /nfs/dbraw/zinc/02/58/63/1135025863.db2.gz WGSWOONYTXRJLE-UHFFFAOYSA-N -1 3 338.256 3.563 20 0 EHADHM O=S(=O)([N-][C@H](CC1CC1)c1ccccc1)c1cnccc1Cl ZINC001192925384 1135077991 /nfs/dbraw/zinc/07/79/91/1135077991.db2.gz UBYVYISWAGFGAR-OAHLLOKOSA-N -1 3 336.844 3.555 20 0 EHADHM C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)c2nnc3ccccc3c2[O-])C1 ZINC000804528980 1135108241 /nfs/dbraw/zinc/10/82/41/1135108241.db2.gz PEDFJOOEFGMBSU-KSSFIOAISA-N -1 3 347.418 3.949 20 0 EHADHM Cc1ccc(C(=O)N2CCC([C@@H](O)c3ccccc3C)CC2)c([O-])c1 ZINC000804515463 1135110901 /nfs/dbraw/zinc/11/09/01/1135110901.db2.gz JYGABUIRWCQREI-HXUWFJFHSA-N -1 3 339.435 3.595 20 0 EHADHM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2nnc3ccccc3c2[O-])C1 ZINC000804780651 1135189557 /nfs/dbraw/zinc/18/95/57/1135189557.db2.gz DWDSFXNTNNRUHU-DYVFJYSZSA-N -1 3 333.391 3.559 20 0 EHADHM Cc1cc(O)cc([O-])c1C(=O)N1CC[C@H](c2ccccc2)C(F)(F)C1 ZINC001193936700 1135200790 /nfs/dbraw/zinc/20/07/90/1135200790.db2.gz SCYDTXCFFLDWER-OAHLLOKOSA-N -1 3 347.361 3.671 20 0 EHADHM CNc1ccc(C(F)(F)F)cc1NC(=O)c1c(C)cc(O)cc1[O-] ZINC001193935976 1135201506 /nfs/dbraw/zinc/20/15/06/1135201506.db2.gz HQFHHCGBRKNNJI-UHFFFAOYSA-N -1 3 340.301 3.719 20 0 EHADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1cc(F)c(F)c(F)c1F ZINC001194633978 1135294788 /nfs/dbraw/zinc/29/47/88/1135294788.db2.gz JBNOINRFYNGEDU-UHFFFAOYSA-N -1 3 333.306 3.661 20 0 EHADHM Cc1cccc(NC(=O)c2cnc(C(F)(F)F)[n-]2)c1Br ZINC001194782921 1135315825 /nfs/dbraw/zinc/31/58/25/1135315825.db2.gz ZYRPFDKCMBXUDD-UHFFFAOYSA-N -1 3 348.122 3.752 20 0 EHADHM Cc1c([O-])ccc2c(CN3CCC[C@H]3c3cccnc3)cc(=O)oc12 ZINC000805746702 1135324012 /nfs/dbraw/zinc/32/40/12/1135324012.db2.gz GDWNKGPJNOHVHT-KRWDZBQOSA-N -1 3 336.391 3.539 20 0 EHADHM O=C(Nc1cc(Br)ccc1[O-])Oc1ccc(F)cc1 ZINC001195035998 1135357258 /nfs/dbraw/zinc/35/72/58/1135357258.db2.gz UTHDSANXQNSRJV-UHFFFAOYSA-N -1 3 326.121 3.905 20 0 EHADHM CC(C)COc1cccc(F)c1[N-]S(=O)(=O)CC[Si](C)(C)C ZINC001195080764 1135365834 /nfs/dbraw/zinc/36/58/34/1135365834.db2.gz INMIIQONJXVZNC-UHFFFAOYSA-N -1 3 347.528 3.940 20 0 EHADHM C[Si](C)(C)CCS(=O)(=O)[N-]c1ccccc1-c1nccs1 ZINC001195080975 1135366136 /nfs/dbraw/zinc/36/61/36/1135366136.db2.gz RBSUWXOVUPZSKY-UHFFFAOYSA-N -1 3 340.546 3.890 20 0 EHADHM Cc1cc(F)c(C[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c(F)c1 ZINC001195260610 1135400759 /nfs/dbraw/zinc/40/07/59/1135400759.db2.gz MKFFPDGDFIFFLZ-UHFFFAOYSA-N -1 3 349.761 3.544 20 0 EHADHM Cc1cc(N2CCCCCC2)ccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000806635319 1135476913 /nfs/dbraw/zinc/47/69/13/1135476913.db2.gz RAOKAINWYBNCKE-GOSISDBHSA-N -1 3 347.459 3.955 20 0 EHADHM Cc1cc(N2CCCCCC2)ccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000806635319 1135476916 /nfs/dbraw/zinc/47/69/16/1135476916.db2.gz RAOKAINWYBNCKE-GOSISDBHSA-N -1 3 347.459 3.955 20 0 EHADHM CC(C)C[C@H](NS(=O)(=O)c1ccc([O-])cc1)c1ccc(F)cc1 ZINC001195825482 1135478076 /nfs/dbraw/zinc/47/80/76/1135478076.db2.gz UNGCRNOYEGOHNF-KRWDZBQOSA-N -1 3 337.416 3.597 20 0 EHADHM O=S(=O)(N[C@@H](CC1CCC1)c1ccccc1F)c1ccc([O-])cc1 ZINC001195835874 1135478867 /nfs/dbraw/zinc/47/88/67/1135478867.db2.gz OTPVXMKHQNBCBH-SFHVURJKSA-N -1 3 349.427 3.741 20 0 EHADHM CCc1cc(Br)ccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000775674954 1135486945 /nfs/dbraw/zinc/48/69/45/1135486945.db2.gz KURNTRUYDAFSBX-CYBMUJFWSA-N -1 3 343.221 3.591 20 0 EHADHM CCc1cc(Br)ccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000775674954 1135486951 /nfs/dbraw/zinc/48/69/51/1135486951.db2.gz KURNTRUYDAFSBX-CYBMUJFWSA-N -1 3 343.221 3.591 20 0 EHADHM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1cccnc1F ZINC000806772244 1135487709 /nfs/dbraw/zinc/48/77/09/1135487709.db2.gz NVLRIDXJYAYRKJ-UHFFFAOYSA-N -1 3 334.763 3.645 20 0 EHADHM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1cccnc1F ZINC000807289961 1135533777 /nfs/dbraw/zinc/53/37/77/1135533777.db2.gz OFDUZTKXOMRKNT-UHFFFAOYSA-N -1 3 348.790 3.569 20 0 EHADHM O=C(Nc1cncc([O-])c1)c1ccc(C2CC2)c(Br)c1 ZINC001196435272 1135557220 /nfs/dbraw/zinc/55/72/20/1135557220.db2.gz LLLHUEDXFBUEPC-UHFFFAOYSA-N -1 3 333.185 3.679 20 0 EHADHM O=C(Nc1cncc([O-])c1)c1cnc(-c2ccc(Cl)cc2)s1 ZINC001196422205 1135561787 /nfs/dbraw/zinc/56/17/87/1135561787.db2.gz QSLWOUNHJCXWGL-UHFFFAOYSA-N -1 3 331.784 3.816 20 0 EHADHM Cc1nc(Cl)cc(Cl)c1C(=O)[N-]c1nnc(-c2ccco2)o1 ZINC001196678888 1135592370 /nfs/dbraw/zinc/59/23/70/1135592370.db2.gz ASFXOIBBMVBGQB-UHFFFAOYSA-N -1 3 339.138 3.592 20 0 EHADHM COc1nc(C(F)(F)F)c(C(=O)[N-]c2nc(C3CC3)cs2)s1 ZINC001196828188 1135620126 /nfs/dbraw/zinc/62/01/26/1135620126.db2.gz NDTFYVCGPIQPRL-UHFFFAOYSA-N -1 3 349.359 3.757 20 0 EHADHM CSc1cc(C(=O)Nc2cncc([O-])c2)cc(C(F)(F)F)c1 ZINC001196975278 1135630909 /nfs/dbraw/zinc/63/09/09/1135630909.db2.gz KOOVZWQGYWUOLW-UHFFFAOYSA-N -1 3 328.315 3.780 20 0 EHADHM CC(C)(C)C(=O)Nc1cccc(Cl)c1C(=O)Nc1ncccc1[O-] ZINC001196939296 1135631431 /nfs/dbraw/zinc/63/14/31/1135631431.db2.gz LWQDAZWASHCKEO-UHFFFAOYSA-N -1 3 347.802 3.678 20 0 EHADHM O=C(Nc1ccc(F)c([O-])c1)c1c(Cl)ccnc1C(F)(F)F ZINC001197233465 1135669481 /nfs/dbraw/zinc/66/94/81/1135669481.db2.gz NIJVDXRYUCYFJG-UHFFFAOYSA-N -1 3 334.656 3.851 20 0 EHADHM CC(=O)c1cccc([O-])c1NC(=O)c1oc(Br)cc1C ZINC001197326300 1135679797 /nfs/dbraw/zinc/67/97/97/1135679797.db2.gz IFUGNKLQVRZGRI-UHFFFAOYSA-N -1 3 338.157 3.511 20 0 EHADHM O=S(=O)(Cc1ccccn1)[N-]c1ccc2oc3ccccc3c2c1 ZINC001197825545 1135744180 /nfs/dbraw/zinc/74/41/80/1135744180.db2.gz UTFHSGCWWRMTLT-UHFFFAOYSA-N -1 3 338.388 3.923 20 0 EHADHM C=CS(=O)(=O)[N-]c1cc(Cl)ccc1NC(=O)OC(C)(C)C ZINC001198609391 1135837984 /nfs/dbraw/zinc/83/79/84/1135837984.db2.gz AAPNYNGKZTZIAV-UHFFFAOYSA-N -1 3 332.809 3.572 20 0 EHADHM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)ccc3c2)c(C)c1 ZINC001198939543 1135868217 /nfs/dbraw/zinc/86/82/17/1135868217.db2.gz IHSWJZWDBZLJBD-UHFFFAOYSA-N -1 3 342.420 3.661 20 0 EHADHM CCc1cc([N-]S(=O)(=O)c2ccc(OC)cc2C)c(C)cc1C ZINC001198951194 1135872211 /nfs/dbraw/zinc/87/22/11/1135872211.db2.gz PTXXBKSXGPUDIN-UHFFFAOYSA-N -1 3 333.453 3.984 20 0 EHADHM O=C(OCc1cc2ccccc2[nH]c1=O)c1cccc(Cl)c1[O-] ZINC000775931424 1135877694 /nfs/dbraw/zinc/87/76/94/1135877694.db2.gz WXTKYVPQTKDXPD-UHFFFAOYSA-N -1 3 329.739 3.656 20 0 EHADHM Cc1nc(COC(=O)c2cccc(Cl)c2[O-])nc2ccccc12 ZINC000775932225 1135878393 /nfs/dbraw/zinc/87/83/93/1135878393.db2.gz FWXOPKLKACNPST-UHFFFAOYSA-N -1 3 328.755 3.654 20 0 EHADHM CCc1cccc(C(=O)Nc2ncc(C3(O)CCCCC3)s2)c1[O-] ZINC000809778822 1135890343 /nfs/dbraw/zinc/89/03/43/1135890343.db2.gz XUMXVLLDQCIVNI-UHFFFAOYSA-N -1 3 346.452 3.815 20 0 EHADHM CCC(C)(C)c1ccc(COC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1 ZINC000776107329 1135957370 /nfs/dbraw/zinc/95/73/70/1135957370.db2.gz LHCPYEATZNQNTJ-UHFFFAOYSA-N -1 3 342.439 3.773 20 0 EHADHM O=C(OCc1nc2cccnc2[nH]1)c1cc2cc(Cl)sc2[n-]1 ZINC000810564755 1135973215 /nfs/dbraw/zinc/97/32/15/1135973215.db2.gz KWZAMFPWBLUWHD-UHFFFAOYSA-N -1 3 332.772 3.511 20 0 EHADHM COc1ccc(NC(=S)Nc2c([O-])cccc2Cl)cc1OC ZINC001201065773 1135978461 /nfs/dbraw/zinc/97/84/61/1135978461.db2.gz IKERGOWCEXWAHD-UHFFFAOYSA-N -1 3 338.816 3.872 20 0 EHADHM COC(=O)[C@@H]1CCC[C@H](OC(=O)c2cc3cc(Cl)sc3[n-]2)C1 ZINC000810706694 1135999299 /nfs/dbraw/zinc/99/92/99/1135999299.db2.gz SMXWEKNKABWPMF-SCZZXKLOSA-N -1 3 341.816 3.771 20 0 EHADHM COC[C@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)c1nccs1 ZINC000810734736 1136001535 /nfs/dbraw/zinc/00/15/35/1136001535.db2.gz DDGUCMFDGQUOHY-VIFPVBQESA-N -1 3 342.829 3.884 20 0 EHADHM O=C(O[C@H](C(F)F)[C@H]1CCCO1)c1cc2cc(Cl)sc2[n-]1 ZINC000810733835 1136001663 /nfs/dbraw/zinc/00/16/63/1136001663.db2.gz TUGPMKKRGYKTDF-SCZZXKLOSA-N -1 3 335.759 3.852 20 0 EHADHM O=C(COC(=O)c1ccc([O-])cc1)c1ccc(Cl)cc1Cl ZINC000005694272 1136061709 /nfs/dbraw/zinc/06/17/09/1136061709.db2.gz CUGDKONRKLKQLJ-UHFFFAOYSA-N -1 3 325.147 3.739 20 0 EHADHM CCOC(=O)c1nc(C2CC2)oc1[N-]C(=O)Nc1cccc(F)c1 ZINC001202221458 1136113008 /nfs/dbraw/zinc/11/30/08/1136113008.db2.gz YQIHKMYCKSRRMF-UHFFFAOYSA-N -1 3 333.319 3.512 20 0 EHADHM Cc1cc(Br)ncc1NCc1c(F)ccc([O-])c1F ZINC000811835450 1136143017 /nfs/dbraw/zinc/14/30/17/1136143017.db2.gz WRAWQHTZUMEQKC-UHFFFAOYSA-N -1 3 329.144 3.748 20 0 EHADHM O=C([N-]OC1CCC1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000812787314 1136247206 /nfs/dbraw/zinc/24/72/06/1136247206.db2.gz MMCQGBQNKMPZEL-UHFFFAOYSA-N -1 3 329.318 3.508 20 0 EHADHM COC(=O)[C@@H](NCc1ccc([O-])c(F)c1)c1ccc2ccccc2c1 ZINC000813336543 1136320463 /nfs/dbraw/zinc/32/04/63/1136320463.db2.gz HFCWNTMMULYVCX-IBGZPJMESA-N -1 3 339.366 3.688 20 0 EHADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H](O)c1ccc(Cl)cc1F ZINC000813501099 1136342807 /nfs/dbraw/zinc/34/28/07/1136342807.db2.gz QRUIEZJGWDLVOW-CYBMUJFWSA-N -1 3 330.142 3.510 20 0 EHADHM O=C(Cc1cccc2ccccc21)[N-]OCCC1SCCS1 ZINC000853669388 1136554288 /nfs/dbraw/zinc/55/42/88/1136554288.db2.gz PFQBQFJOCFWDRN-UHFFFAOYSA-N -1 3 333.478 3.626 20 0 EHADHM O=C(Nc1cc(F)c([O-])cc1Cl)[C@@H]1CCCN1C1CCCC1 ZINC000885675905 1136604856 /nfs/dbraw/zinc/60/48/56/1136604856.db2.gz FAPVVDIVQVFSHU-AWEZNQCLSA-N -1 3 326.799 3.530 20 0 EHADHM CON(C(=O)c1ccc(C(C)=O)c([O-])c1)[C@@H](C)c1ccccc1C ZINC000854520838 1136623381 /nfs/dbraw/zinc/62/33/81/1136623381.db2.gz JXMIXGNADUWXKO-ZDUSSCGKSA-N -1 3 327.380 3.668 20 0 EHADHM Cc1nc(C(C)C)oc1CNC(=O)c1cc2sccc2c([O-])c1 ZINC000854591879 1136630235 /nfs/dbraw/zinc/63/02/35/1136630235.db2.gz CODTYMJVWLFPFY-UHFFFAOYSA-N -1 3 330.409 3.957 20 0 EHADHM Cc1ccc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])n1C ZINC001135422888 1136681949 /nfs/dbraw/zinc/68/19/49/1136681949.db2.gz HXBWLIKSBVVFGG-UHFFFAOYSA-N -1 3 334.419 3.560 20 0 EHADHM O=C(N[C@H](c1ccccc1)[C@@H](O)c1ccccc1)c1ccccc1[O-] ZINC000816792505 1136754610 /nfs/dbraw/zinc/75/46/10/1136754610.db2.gz KPISFDMFNYVGFX-UXHICEINSA-N -1 3 333.387 3.597 20 0 EHADHM Cc1ccc(C(F)(F)C(=O)[N-]Cc2cnccc2C(F)(F)F)cc1 ZINC000856499601 1136790641 /nfs/dbraw/zinc/79/06/41/1136790641.db2.gz NKFUWAKQOXHSHO-UHFFFAOYSA-N -1 3 344.283 3.817 20 0 EHADHM C[C@@H](CC(=O)[N-]OCCC1CC1)c1ccc(F)c(Br)c1 ZINC000817399038 1136804487 /nfs/dbraw/zinc/80/44/87/1136804487.db2.gz CBVMJESQSOHHOP-JTQLQIEISA-N -1 3 344.224 3.930 20 0 EHADHM Nc1ccc(C(=O)N2CCCC[C@@H]2CCCc2ccccc2)c([O-])c1 ZINC000817999411 1136852919 /nfs/dbraw/zinc/85/29/19/1136852919.db2.gz PYPZVLLBAXHQCK-GOSISDBHSA-N -1 3 338.451 3.992 20 0 EHADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccnc(F)c2F)cc1 ZINC000857251500 1136857419 /nfs/dbraw/zinc/85/74/19/1136857419.db2.gz CPNWAGMOJKBTQQ-SNVBAGLBSA-N -1 3 326.368 3.674 20 0 EHADHM O=C(NC[C@H](CO)C1CCCCC1)c1cc2sccc2c([O-])c1 ZINC000818478688 1136877727 /nfs/dbraw/zinc/87/77/27/1136877727.db2.gz ILSYQRJQSWGUTC-CQSZACIVSA-N -1 3 333.453 3.526 20 0 EHADHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)N(C)c1ccccc1 ZINC000011809634 1136888275 /nfs/dbraw/zinc/88/82/75/1136888275.db2.gz SDMMNBDFKKUKCW-SECBINFHSA-N -1 3 341.194 3.530 20 0 EHADHM CC(=O)c1csc(C(=O)[N-]c2c3nsnc3ccc2Cl)c1 ZINC000776963156 1136907127 /nfs/dbraw/zinc/90/71/27/1136907127.db2.gz 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CCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@H](C)Cc1ccsc1 ZINC000187371901 1140252565 /nfs/dbraw/zinc/25/25/65/1140252565.db2.gz NMAJUJZDPIIEOE-GFCCVEGCSA-N -1 3 349.452 3.564 20 0 EHADHM CC(C)c1cccc2c1CCN(C(=O)c1c[n-]c3ccccc3c1=O)C2 ZINC000188115739 1140283884 /nfs/dbraw/zinc/28/38/84/1140283884.db2.gz ZXAWTNVDZQJCHX-UHFFFAOYSA-N -1 3 346.430 3.850 20 0 EHADHM CCOc1ccc([C@H](C)N[C@@H](C)c2nc(C)cc(=O)[n-]2)cc1OCC ZINC000192720944 1140547072 /nfs/dbraw/zinc/54/70/72/1140547072.db2.gz CWKDBFQPHCKPFV-KBPBESRZSA-N -1 3 345.443 3.700 20 0 EHADHM COc1ccc2oc([C@@H](C)N[C@H](C)c3nc(C)cc(=O)[n-]3)c(C)c2c1 ZINC000192781047 1140550523 /nfs/dbraw/zinc/55/05/23/1140550523.db2.gz CKXHERUDDWFNHK-CHWSQXEVSA-N -1 3 341.411 3.966 20 0 EHADHM COc1cc(SC)ccc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000193507445 1140578110 /nfs/dbraw/zinc/57/81/10/1140578110.db2.gz OFRFUYWSBWNVAP-UHFFFAOYSA-N -1 3 345.346 3.544 20 0 EHADHM CCO[C@H]1C[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C1(CC)CC ZINC000267281172 1140774998 /nfs/dbraw/zinc/77/49/98/1140774998.db2.gz KTOKVGNSHGDHOV-MSOLQXFVSA-N -1 3 342.439 3.654 20 0 EHADHM CC1=CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CC1 ZINC000270111356 1141180876 /nfs/dbraw/zinc/18/08/76/1141180876.db2.gz DHZURSVSGYWZHU-UHFFFAOYSA-N -1 3 327.409 3.809 20 0 EHADHM COc1cc(C(=O)N[C@H](c2ccccc2C)C2CC2)cc(OC)c1[O-] ZINC000270733378 1141264006 /nfs/dbraw/zinc/26/40/06/1141264006.db2.gz OCKDMDAWHWPGLD-SFHVURJKSA-N -1 3 341.407 3.599 20 0 EHADHM Cc1noc(C(C)C)c1C(=O)[N-]c1nnc(/C=C/c2ccco2)s1 ZINC000270886208 1141279424 /nfs/dbraw/zinc/27/94/24/1141279424.db2.gz ZKLIVJYKDZKNMF-VOTSOKGWSA-N -1 3 344.396 3.974 20 0 EHADHM Cc1ccc(C(=O)Nc2cc(N3CCOC3=O)ccc2C)c([O-])c1C ZINC000271213646 1141326915 /nfs/dbraw/zinc/32/69/15/1141326915.db2.gz AHEZHGKQPIUXDZ-UHFFFAOYSA-N -1 3 340.379 3.526 20 0 EHADHM CCCN(CCc1cccs1)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000274420140 1141523417 /nfs/dbraw/zinc/52/34/17/1141523417.db2.gz OEENMGBPZOOUPO-UHFFFAOYSA-N -1 3 346.452 3.507 20 0 EHADHM Cc1ccc(C[C@H](C)N(C)C(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000348931450 1141611229 /nfs/dbraw/zinc/61/12/29/1141611229.db2.gz BLOTURYENXEBMB-HNNXBMFYSA-N -1 3 334.419 3.540 20 0 EHADHM COC(=O)c1sccc1[N-]C(=O)c1csc(-c2ccoc2)n1 ZINC000078566487 217078675 /nfs/dbraw/zinc/07/86/75/217078675.db2.gz XHRDMRXNKZUDPN-UHFFFAOYSA-N -1 3 334.378 3.504 20 0 EHADHM Cc1sc(NC(=O)[C@@H](C)c2cccc(C)c2)c(-c2nnn[n-]2)c1C ZINC000737383929 598829677 /nfs/dbraw/zinc/82/96/77/598829677.db2.gz GGZMDYUVWRSMDI-NSHDSACASA-N -1 3 341.440 3.596 20 0 EHADHM Cc1sc(NC(=O)[C@@H](C)c2cccc(C)c2)c(-c2nn[n-]n2)c1C ZINC000737383929 598829678 /nfs/dbraw/zinc/82/96/78/598829678.db2.gz GGZMDYUVWRSMDI-NSHDSACASA-N -1 3 341.440 3.596 20 0 EHADHM CC[C@@H](CC1CCCC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000736349654 598904512 /nfs/dbraw/zinc/90/45/12/598904512.db2.gz HKMKVPROJMTVDZ-AWEZNQCLSA-N -1 3 327.432 3.720 20 0 EHADHM CC[C@@H](CC1CCCC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000736349654 598904514 /nfs/dbraw/zinc/90/45/14/598904514.db2.gz HKMKVPROJMTVDZ-AWEZNQCLSA-N -1 3 327.432 3.720 20 0 EHADHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000735924875 598910846 /nfs/dbraw/zinc/91/08/46/598910846.db2.gz WEWHNRHZSRJVGF-IRXDYDNUSA-N -1 3 347.422 3.732 20 0 EHADHM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000735924875 598910847 /nfs/dbraw/zinc/91/08/47/598910847.db2.gz WEWHNRHZSRJVGF-IRXDYDNUSA-N -1 3 347.422 3.732 20 0 EHADHM CC[C@@H](C)Oc1ccc(Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000736329715 598938452 /nfs/dbraw/zinc/93/84/52/598938452.db2.gz UWTRBZVQEWKWRG-SNVBAGLBSA-N -1 3 344.806 3.836 20 0 EHADHM CC[C@@H](C)Oc1ccc(Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000736329715 598938453 /nfs/dbraw/zinc/93/84/53/598938453.db2.gz UWTRBZVQEWKWRG-SNVBAGLBSA-N -1 3 344.806 3.836 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](CC(C)C)c1ccccc1 ZINC000737287533 598940997 /nfs/dbraw/zinc/94/09/97/598940997.db2.gz DKZUBYUSGRDGQS-QGZVFWFLSA-N -1 3 349.438 3.944 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](CC(C)C)c1ccccc1 ZINC000737287533 598940999 /nfs/dbraw/zinc/94/09/99/598940999.db2.gz DKZUBYUSGRDGQS-QGZVFWFLSA-N -1 3 349.438 3.944 20 0 EHADHM Cc1cccc([C@@H](C)Nc2nc3c(cc2-c2nnn[n-]2)CCC3)c1C ZINC000737388147 599065937 /nfs/dbraw/zinc/06/59/37/599065937.db2.gz LBAOGAHECOLDHM-CYBMUJFWSA-N -1 3 334.427 3.540 20 0 EHADHM Cc1cccc([C@@H](C)Nc2nc3c(cc2-c2nn[n-]n2)CCC3)c1C ZINC000737388147 599065939 /nfs/dbraw/zinc/06/59/39/599065939.db2.gz LBAOGAHECOLDHM-CYBMUJFWSA-N -1 3 334.427 3.540 20 0 EHADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)Sc1ccccc1 ZINC000820281174 599080273 /nfs/dbraw/zinc/08/02/73/599080273.db2.gz SXMPYFFDUHJIEX-JTQLQIEISA-N -1 3 346.847 3.508 20 0 EHADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)Sc1ccccc1 ZINC000820281174 599080276 /nfs/dbraw/zinc/08/02/76/599080276.db2.gz SXMPYFFDUHJIEX-JTQLQIEISA-N -1 3 346.847 3.508 20 0 EHADHM Fc1cccc(NCc2ccc(-c3cccnc3)cc2)c1-c1nnn[n-]1 ZINC000822792415 599111300 /nfs/dbraw/zinc/11/13/00/599111300.db2.gz VNPHXFXZLLJZLP-UHFFFAOYSA-N -1 3 346.369 3.680 20 0 EHADHM Fc1cccc(NCc2ccc(-c3cccnc3)cc2)c1-c1nn[n-]n1 ZINC000822792415 599111301 /nfs/dbraw/zinc/11/13/01/599111301.db2.gz VNPHXFXZLLJZLP-UHFFFAOYSA-N -1 3 346.369 3.680 20 0 EHADHM CCCCC[C@@H](C)CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC000821048694 599143638 /nfs/dbraw/zinc/14/36/38/599143638.db2.gz GBEXAJJNUOXCHK-CYBMUJFWSA-N -1 3 345.447 3.810 20 0 EHADHM CCCCC[C@@H](C)CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC000821048694 599143640 /nfs/dbraw/zinc/14/36/40/599143640.db2.gz GBEXAJJNUOXCHK-CYBMUJFWSA-N -1 3 345.447 3.810 20 0 EHADHM C[C@H]1CCCC[C@@H]1OCCSc1ccc(-c2nnn[n-]2)cc1F ZINC000736269436 599171406 /nfs/dbraw/zinc/17/14/06/599171406.db2.gz GWJRLHQCZVEPGU-FZMZJTMJSA-N -1 3 336.436 3.693 20 0 EHADHM C[C@H]1CCCC[C@@H]1OCCSc1ccc(-c2nn[n-]n2)cc1F ZINC000736269436 599171407 /nfs/dbraw/zinc/17/14/07/599171407.db2.gz GWJRLHQCZVEPGU-FZMZJTMJSA-N -1 3 336.436 3.693 20 0 EHADHM CCOc1ccccc1CSc1ccc(-c2nnn[n-]2)cc1F ZINC000736654800 599172884 /nfs/dbraw/zinc/17/28/84/599172884.db2.gz YGRBFCAWMNIUTM-UHFFFAOYSA-N -1 3 330.388 3.697 20 0 EHADHM CCOc1ccccc1CSc1ccc(-c2nn[n-]n2)cc1F ZINC000736654800 599172886 /nfs/dbraw/zinc/17/28/86/599172886.db2.gz YGRBFCAWMNIUTM-UHFFFAOYSA-N -1 3 330.388 3.697 20 0 EHADHM CCCCCC[C@H](CC)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736446798 599194581 /nfs/dbraw/zinc/19/45/81/599194581.db2.gz QDAWINJCLUJINF-ZDUSSCGKSA-N -1 3 347.438 3.619 20 0 EHADHM CCCCCC[C@H](CC)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736446798 599194583 /nfs/dbraw/zinc/19/45/83/599194583.db2.gz QDAWINJCLUJINF-ZDUSSCGKSA-N -1 3 347.438 3.619 20 0 EHADHM C[C@@H]1C[C@@H](C)CN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC000736227997 599252817 /nfs/dbraw/zinc/25/28/17/599252817.db2.gz MYGQENCHBMRXIU-GHMZBOCLSA-N -1 3 342.834 3.551 20 0 EHADHM C[C@@H]1C[C@@H](C)CN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C1 ZINC000736227997 599252818 /nfs/dbraw/zinc/25/28/18/599252818.db2.gz MYGQENCHBMRXIU-GHMZBOCLSA-N -1 3 342.834 3.551 20 0 EHADHM CCCCC[C@H]1CCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821048320 607291278 /nfs/dbraw/zinc/29/12/78/607291278.db2.gz ABOIGRWYKFIQJH-AWEZNQCLSA-N -1 3 342.447 3.752 20 0 EHADHM CCCCC[C@H]1CCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821048320 607291279 /nfs/dbraw/zinc/29/12/79/607291279.db2.gz ABOIGRWYKFIQJH-AWEZNQCLSA-N -1 3 342.447 3.752 20 0 EHADHM CCCOc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1Cl ZINC000821133810 607308778 /nfs/dbraw/zinc/30/87/78/607308778.db2.gz FTORETMOKLJWQI-UHFFFAOYSA-N -1 3 349.847 3.983 20 0 EHADHM C[C@@H](Sc1ncnc2sccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193801 599287615 /nfs/dbraw/zinc/28/76/15/599287615.db2.gz SVYHQRBLBTUJLJ-SECBINFHSA-N -1 3 340.437 3.725 20 0 EHADHM C[C@@H](Sc1ncnc2sccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193801 599287618 /nfs/dbraw/zinc/28/76/18/599287618.db2.gz SVYHQRBLBTUJLJ-SECBINFHSA-N -1 3 340.437 3.725 20 0 EHADHM COc1cccc(CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737131241 599290390 /nfs/dbraw/zinc/29/03/90/599290390.db2.gz AIQNWSOMPDZFQY-GFCCVEGCSA-N -1 3 326.425 3.870 20 0 EHADHM COc1cccc(CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737131241 599290392 /nfs/dbraw/zinc/29/03/92/599290392.db2.gz AIQNWSOMPDZFQY-GFCCVEGCSA-N -1 3 326.425 3.870 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1NCCCSc1ccccc1 ZINC000737639472 598237136 /nfs/dbraw/zinc/23/71/36/598237136.db2.gz CLHDLIWNQZDGOA-UHFFFAOYSA-N -1 3 329.404 3.600 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1NCc1ccc(-c2ccccc2)o1 ZINC000737645295 598241534 /nfs/dbraw/zinc/24/15/34/598241534.db2.gz WCLGTAZJSMEESD-UHFFFAOYSA-N -1 3 335.342 3.878 20 0 EHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)c(Cl)c1 ZINC000736137773 598241877 /nfs/dbraw/zinc/24/18/77/598241877.db2.gz MHGWQMNYXLKTLD-MRVPVSSYSA-N -1 3 335.745 3.971 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1NCc1cccc(Cl)c1Cl ZINC000737645246 598243442 /nfs/dbraw/zinc/24/34/42/598243442.db2.gz UHSKXNXTBVNANW-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM c1csc(-c2nc(CNc3ccccc3-c3nnn[n-]3)cs2)c1 ZINC000738447503 598418885 /nfs/dbraw/zinc/41/88/85/598418885.db2.gz GFXLUIODXAMEKO-UHFFFAOYSA-N -1 3 340.437 3.664 20 0 EHADHM c1csc(-c2nc(CNc3ccccc3-c3nn[n-]n3)cs2)c1 ZINC000738447503 598418886 /nfs/dbraw/zinc/41/88/86/598418886.db2.gz GFXLUIODXAMEKO-UHFFFAOYSA-N -1 3 340.437 3.664 20 0 EHADHM C[C@@H]1C[C@H](CC(=O)N(C)c2cccc(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000736224788 598443380 /nfs/dbraw/zinc/44/33/80/598443380.db2.gz APFYRLVVOQDQHL-ZIAGYGMSSA-N -1 3 341.459 3.682 20 0 EHADHM C[C@@H]1C[C@H](CC(=O)N(C)c2cccc(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000736224788 598443382 /nfs/dbraw/zinc/44/33/82/598443382.db2.gz APFYRLVVOQDQHL-ZIAGYGMSSA-N -1 3 341.459 3.682 20 0 EHADHM CCc1c(C)sc(NC(=O)C=Cc2cccs2)c1-c1nnn[n-]1 ZINC000736670379 598517023 /nfs/dbraw/zinc/51/70/23/598517023.db2.gz ODEDQLPPDNFXJV-VOTSOKGWSA-N -1 3 345.453 3.512 20 0 EHADHM CCc1c(C)sc(NC(=O)C=Cc2cccs2)c1-c1nn[n-]n1 ZINC000736670379 598517025 /nfs/dbraw/zinc/51/70/25/598517025.db2.gz ODEDQLPPDNFXJV-VOTSOKGWSA-N -1 3 345.453 3.512 20 0 EHADHM c1cc(Nc2ccc(-c3nnn[n-]3)cn2)ccc1NCC1CCCC1 ZINC000738418973 598520782 /nfs/dbraw/zinc/52/07/82/598520782.db2.gz KPLQWXZZGPBJBG-UHFFFAOYSA-N -1 3 335.415 3.607 20 0 EHADHM c1cc(Nc2ccc(-c3nn[n-]n3)cn2)ccc1NCC1CCCC1 ZINC000738418973 598520784 /nfs/dbraw/zinc/52/07/84/598520784.db2.gz KPLQWXZZGPBJBG-UHFFFAOYSA-N -1 3 335.415 3.607 20 0 EHADHM C[C@@H](Cc1ccco1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736066569 598572545 /nfs/dbraw/zinc/57/25/45/598572545.db2.gz OPXBDAQCVMOGMA-VIFPVBQESA-N -1 3 337.305 3.522 20 0 EHADHM C[C@@H](Cc1ccco1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736066569 598572546 /nfs/dbraw/zinc/57/25/46/598572546.db2.gz OPXBDAQCVMOGMA-VIFPVBQESA-N -1 3 337.305 3.522 20 0 EHADHM O=C1c2ccccc2CCC[C@H]1Sc1ccc(-c2nnn[n-]2)cc1 ZINC000738313717 598582666 /nfs/dbraw/zinc/58/26/66/598582666.db2.gz LNSSYXSFVZACAS-MRXNPFEDSA-N -1 3 336.420 3.547 20 0 EHADHM O=C1c2ccccc2CCC[C@H]1Sc1ccc(-c2nn[n-]n2)cc1 ZINC000738313717 598582668 /nfs/dbraw/zinc/58/26/68/598582668.db2.gz LNSSYXSFVZACAS-MRXNPFEDSA-N -1 3 336.420 3.547 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1N[C@H](c1ccccc1)c1ccccn1 ZINC000737639450 598592360 /nfs/dbraw/zinc/59/23/60/598592360.db2.gz BSQJKOSPJHOVHJ-GOSISDBHSA-N -1 3 346.369 3.602 20 0 EHADHM Clc1ccc(-c2nnn[n-]2)c(NCCc2c[nH]c3ccccc23)c1 ZINC000737570100 598629192 /nfs/dbraw/zinc/62/91/92/598629192.db2.gz AZUBEJQUXJUYRL-UHFFFAOYSA-N -1 3 338.802 3.656 20 0 EHADHM Clc1ccc(-c2nn[n-]n2)c(NCCc2c[nH]c3ccccc23)c1 ZINC000737570100 598629194 /nfs/dbraw/zinc/62/91/94/598629194.db2.gz AZUBEJQUXJUYRL-UHFFFAOYSA-N -1 3 338.802 3.656 20 0 EHADHM Fc1ccc(COc2c(Cl)cccc2Cl)c(-c2nnn[n-]2)c1 ZINC000737651351 598643881 /nfs/dbraw/zinc/64/38/81/598643881.db2.gz WEQYNSCYFBJECH-UHFFFAOYSA-N -1 3 339.157 3.892 20 0 EHADHM Fc1ccc(COc2c(Cl)cccc2Cl)c(-c2nn[n-]n2)c1 ZINC000737651351 598643883 /nfs/dbraw/zinc/64/38/83/598643883.db2.gz WEQYNSCYFBJECH-UHFFFAOYSA-N -1 3 339.157 3.892 20 0 EHADHM Cc1cc(Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)ncn1 ZINC000737279483 598787900 /nfs/dbraw/zinc/78/79/00/598787900.db2.gz DIJQKCVKBQOCJD-UHFFFAOYSA-N -1 3 345.366 3.501 20 0 EHADHM Cc1cc(Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)ncn1 ZINC000737279483 598787901 /nfs/dbraw/zinc/78/79/01/598787901.db2.gz DIJQKCVKBQOCJD-UHFFFAOYSA-N -1 3 345.366 3.501 20 0 EHADHM CCOC(=O)CCCCCS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736592362 599328383 /nfs/dbraw/zinc/32/83/83/599328383.db2.gz OYACTFQLCVNKQQ-CYBMUJFWSA-N -1 3 348.472 3.784 20 0 EHADHM CCOC(=O)CCCCCS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736592362 599328385 /nfs/dbraw/zinc/32/83/85/599328385.db2.gz OYACTFQLCVNKQQ-CYBMUJFWSA-N -1 3 348.472 3.784 20 0 EHADHM CC(C)Oc1ccc(CSc2ccccc2-c2nnn[n-]2)cc1 ZINC000820155154 599344617 /nfs/dbraw/zinc/34/46/17/599344617.db2.gz JXXFQYFIJKXPND-UHFFFAOYSA-N -1 3 326.425 3.946 20 0 EHADHM CC(C)Oc1ccc(CSc2ccccc2-c2nn[n-]n2)cc1 ZINC000820155154 599344619 /nfs/dbraw/zinc/34/46/19/599344619.db2.gz JXXFQYFIJKXPND-UHFFFAOYSA-N -1 3 326.425 3.946 20 0 EHADHM COc1cc(CSc2ccccc2-c2nnn[n-]2)ccc1SC ZINC000821717358 599345177 /nfs/dbraw/zinc/34/51/77/599345177.db2.gz NVTSABPMRIIYAG-UHFFFAOYSA-N -1 3 344.465 3.890 20 0 EHADHM COc1cc(CSc2ccccc2-c2nn[n-]n2)ccc1SC ZINC000821717358 599345179 /nfs/dbraw/zinc/34/51/79/599345179.db2.gz NVTSABPMRIIYAG-UHFFFAOYSA-N -1 3 344.465 3.890 20 0 EHADHM Cc1nc2ccc(N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)cc2s1 ZINC000822462687 599363400 /nfs/dbraw/zinc/36/34/00/599363400.db2.gz LVOBMUCWJITCEQ-JTQLQIEISA-N -1 3 336.424 3.958 20 0 EHADHM Cc1nc2ccc(N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)cc2s1 ZINC000822462687 599363403 /nfs/dbraw/zinc/36/34/03/599363403.db2.gz LVOBMUCWJITCEQ-JTQLQIEISA-N -1 3 336.424 3.958 20 0 EHADHM CC(C)Oc1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000735914685 599404123 /nfs/dbraw/zinc/40/41/23/599404123.db2.gz IGIAZMHNQDVPTI-UHFFFAOYSA-N -1 3 343.818 3.919 20 0 EHADHM CC(C)Oc1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000735914685 599404125 /nfs/dbraw/zinc/40/41/25/599404125.db2.gz IGIAZMHNQDVPTI-UHFFFAOYSA-N -1 3 343.818 3.919 20 0 EHADHM CC(C)Sc1ccc([C@H](C)NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000820184147 599427774 /nfs/dbraw/zinc/42/77/74/599427774.db2.gz UCMNCQWEXGGQSH-LBPRGKRZSA-N -1 3 343.456 3.811 20 0 EHADHM CCOCc1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)cc1 ZINC000821383351 599471616 /nfs/dbraw/zinc/47/16/16/599471616.db2.gz DZGFFRRXBIMFGL-UHFFFAOYSA-N -1 3 343.818 3.669 20 0 EHADHM CCOCc1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)cc1 ZINC000821383351 599471619 /nfs/dbraw/zinc/47/16/19/599471619.db2.gz DZGFFRRXBIMFGL-UHFFFAOYSA-N -1 3 343.818 3.669 20 0 EHADHM COc1ccc(CCCNc2c(Cl)cccc2-c2nnn[n-]2)cc1 ZINC000821790911 599488196 /nfs/dbraw/zinc/48/81/96/599488196.db2.gz WMLQORYTYFITPX-UHFFFAOYSA-N -1 3 343.818 3.573 20 0 EHADHM COc1ccc(CCCNc2c(Cl)cccc2-c2nn[n-]n2)cc1 ZINC000821790911 599488199 /nfs/dbraw/zinc/48/81/99/599488199.db2.gz WMLQORYTYFITPX-UHFFFAOYSA-N -1 3 343.818 3.573 20 0 EHADHM C[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CC1 ZINC000736275338 599521689 /nfs/dbraw/zinc/52/16/89/599521689.db2.gz BVOKYPIYBDHBND-JTQLQIEISA-N -1 3 325.338 3.512 20 0 EHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H]1c1ccco1 ZINC000737628623 599527458 /nfs/dbraw/zinc/52/74/58/599527458.db2.gz YYIRGTRFDFLAKG-CYBMUJFWSA-N -1 3 349.316 3.820 20 0 EHADHM CCc1ccc([C@@H](C)CC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000736689983 599540505 /nfs/dbraw/zinc/54/05/05/599540505.db2.gz UHRSORVSENAEGR-NSHDSACASA-N -1 3 341.440 3.623 20 0 EHADHM CCc1ccc([C@@H](C)CC(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC000736689983 599540507 /nfs/dbraw/zinc/54/05/07/599540507.db2.gz UHRSORVSENAEGR-NSHDSACASA-N -1 3 341.440 3.623 20 0 EHADHM COc1ccc([C@H](C)CCNc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821777265 599588128 /nfs/dbraw/zinc/58/81/28/599588128.db2.gz CQCVAXIUGDEALV-GFCCVEGCSA-N -1 3 341.390 3.620 20 0 EHADHM COc1ccc([C@H](C)CCNc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821777265 599588130 /nfs/dbraw/zinc/58/81/30/599588130.db2.gz CQCVAXIUGDEALV-GFCCVEGCSA-N -1 3 341.390 3.620 20 0 EHADHM Cc1cc2cc(C(=O)OCc3cccc(-c4nnn[n-]4)c3)oc2cc1C ZINC000822212675 599669942 /nfs/dbraw/zinc/66/99/42/599669942.db2.gz BJMHECAMQVRGDE-UHFFFAOYSA-N -1 3 348.362 3.587 20 0 EHADHM Cc1cc2cc(C(=O)OCc3cccc(-c4nn[n-]n4)c3)oc2cc1C ZINC000822212675 599669943 /nfs/dbraw/zinc/66/99/43/599669943.db2.gz BJMHECAMQVRGDE-UHFFFAOYSA-N -1 3 348.362 3.587 20 0 EHADHM COc1ccc(OC)c([C@H]2CCCN2Cc2ccc(C(=O)[O-])cc2)c1 ZINC000738049827 599996665 /nfs/dbraw/zinc/99/66/65/599996665.db2.gz SQCFHHPHJOTORB-GOSISDBHSA-N -1 3 341.407 3.739 20 0 EHADHM Cc1nc(C)c([C@H](C)N(C)CCOc2cccc(C(=O)[O-])c2)s1 ZINC000567054976 600092809 /nfs/dbraw/zinc/09/28/09/600092809.db2.gz HRBDNBRMSIUITQ-LBPRGKRZSA-N -1 3 334.441 3.530 20 0 EHADHM Cc1ccc(OC2CCN([C@H](C(=O)[O-])c3ccc(F)cc3)CC2)cc1 ZINC000569229607 600262130 /nfs/dbraw/zinc/26/21/30/600262130.db2.gz KKWBCMPWSDPMCB-IBGZPJMESA-N -1 3 343.398 3.803 20 0 EHADHM O=C([O-])[C@@H]1CC12CCN(CCOc1ccc(Cl)cc1Cl)CC2 ZINC000405362442 600293801 /nfs/dbraw/zinc/29/38/01/600293801.db2.gz QHDBUDKLGPSEFF-LBPRGKRZSA-N -1 3 344.238 3.559 20 0 EHADHM C[C@@H](c1ccccc1Br)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405363575 600301989 /nfs/dbraw/zinc/30/19/89/600301989.db2.gz RHWBVWLOUFOOFB-WCQYABFASA-N -1 3 338.245 3.697 20 0 EHADHM Cc1cc(CN2CCC(Cc3ccccc3F)CC2)oc1C(=O)[O-] ZINC000652435397 600338167 /nfs/dbraw/zinc/33/81/67/600338167.db2.gz GAPFCJHQOORKRD-UHFFFAOYSA-N -1 3 331.387 3.880 20 0 EHADHM CC[C@H](CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C)cc1 ZINC000825082714 607439675 /nfs/dbraw/zinc/43/96/75/607439675.db2.gz UYUYAHNCRIEZTB-OAHLLOKOSA-N -1 3 349.438 3.722 20 0 EHADHM CC[C@H](CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C)cc1 ZINC000825082714 607439676 /nfs/dbraw/zinc/43/96/76/607439676.db2.gz UYUYAHNCRIEZTB-OAHLLOKOSA-N -1 3 349.438 3.722 20 0 EHADHM O=C([O-])[C@@H](N[C@H]1CCSc2c(F)cccc21)c1ccc(F)cc1 ZINC000739505609 600420319 /nfs/dbraw/zinc/42/03/19/600420319.db2.gz CWQIUHVQPFRRCH-GJZGRUSLSA-N -1 3 335.375 3.917 20 0 EHADHM COc1ccc(C2CCN(Cc3cc(C(=O)[O-])c(C)o3)CC2)cc1 ZINC000564217986 600798776 /nfs/dbraw/zinc/79/87/76/600798776.db2.gz IXXIFZAXEJAXNG-UHFFFAOYSA-N -1 3 329.396 3.674 20 0 EHADHM CCc1nc(C)c([C@@H](C)N(C)CCOc2cccc(C(=O)[O-])c2)s1 ZINC000737281920 600966339 /nfs/dbraw/zinc/96/63/39/600966339.db2.gz OSDNKOOTTAEBLL-CYBMUJFWSA-N -1 3 348.468 3.784 20 0 EHADHM CC(C)c1csc([C@H]2CCCN(Cc3cc(C(=O)[O-])co3)C2)n1 ZINC000652424796 600974473 /nfs/dbraw/zinc/97/44/73/600974473.db2.gz AHIYGLUEPJTAPC-LBPRGKRZSA-N -1 3 334.441 3.937 20 0 EHADHM COc1ccc(-c2cnc(CNC3(CC(=O)[O-])CCCCC3)o2)cc1 ZINC000832124265 601553631 /nfs/dbraw/zinc/55/36/31/601553631.db2.gz MCLXYKJWGPYTFH-UHFFFAOYSA-N -1 3 344.411 3.617 20 0 EHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000566361935 601581554 /nfs/dbraw/zinc/58/15/54/601581554.db2.gz OMXDHUSNZMCRKJ-RDJZCZTQSA-N -1 3 343.423 3.763 20 0 EHADHM Cc1cccc(NC2CCN(Cc3ccc(C(=O)[O-])c(F)c3)CC2)c1 ZINC000832970176 601643110 /nfs/dbraw/zinc/64/31/10/601643110.db2.gz DEUKRCBWJUAIBY-UHFFFAOYSA-N -1 3 342.414 3.909 20 0 EHADHM O=C([O-])c1ccc(CN2CCC[C@H]2C[C@@H](O)c2cccs2)cc1F ZINC000833313463 601650931 /nfs/dbraw/zinc/65/09/31/601650931.db2.gz WCFRQTFCQKTCBI-XJKSGUPXSA-N -1 3 349.427 3.674 20 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/nfs/dbraw/zinc/53/81/00/607538100.db2.gz XIYDDRVURCAKTB-ZDUSSCGKSA-N -1 3 335.411 3.698 20 0 EHADHM COc1cc(OC)cc([C@@H](N[C@@H](C)c2ccc(F)c(C)c2)C(=O)[O-])c1 ZINC000832050121 602176280 /nfs/dbraw/zinc/17/62/80/602176280.db2.gz MSICYRQWIVKQFR-KPZWWZAWSA-N -1 3 347.386 3.628 20 0 EHADHM C[C@@H](NCc1ccc(C(=O)[O-])o1)[C@@H](C)c1nc2ccccc2s1 ZINC000827740774 604329633 /nfs/dbraw/zinc/32/96/33/604329633.db2.gz BXAKSAUNGPACFS-GHMZBOCLSA-N -1 3 330.409 3.869 20 0 EHADHM C[C@@]1(NCc2coc(-c3cccc(F)c3)n2)CCCC[C@@H]1C(=O)[O-] ZINC000833568269 604820733 /nfs/dbraw/zinc/82/07/33/604820733.db2.gz CSISPIQFPYPGOZ-CRAIPNDOSA-N -1 3 332.375 3.604 20 0 EHADHM CC1=C(C(=O)[O-])C[C@@H](CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)O1 ZINC000833585460 604834525 /nfs/dbraw/zinc/83/45/25/604834525.db2.gz SNTXAVCQIWKQIT-HNAYVOBHSA-N -1 3 340.423 3.842 20 0 EHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cc(Br)cs2)C1 ZINC000169106833 604935913 /nfs/dbraw/zinc/93/59/13/604935913.db2.gz PWIDDPULFAOIJY-JTQLQIEISA-N -1 3 346.290 3.833 20 0 EHADHM C[C@H](c1nnc(-c2ccccc2)o1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833551383 604938229 /nfs/dbraw/zinc/93/82/29/604938229.db2.gz TZPFDIAJPNWIDR-HIFRSBDPSA-N -1 3 343.427 3.620 20 0 EHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000322210612 604941533 /nfs/dbraw/zinc/94/15/33/604941533.db2.gz VOXYVSLZWSIUII-LBPRGKRZSA-N -1 3 340.807 3.571 20 0 EHADHM O=C([O-])NCCc1ccc(CN[C@@H]2CCCOc3ccccc32)cc1 ZINC000832671488 604943667 /nfs/dbraw/zinc/94/36/67/604943667.db2.gz BQPMPJBTLAOJFE-GOSISDBHSA-N -1 3 340.423 3.500 20 0 EHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2ncc(-c3cccs3)o2)C1 ZINC000652499524 604947836 /nfs/dbraw/zinc/94/78/36/604947836.db2.gz AJDQTHAAOYXSIU-GFCCVEGCSA-N -1 3 334.441 3.726 20 0 EHADHM COc1ccc(-c2ccc(CN[C@@H](C(=O)[O-])c3cccnc3)cc2)cc1 ZINC000832115885 605004330 /nfs/dbraw/zinc/00/43/30/605004330.db2.gz BCJHFJPWQRLYCE-HXUWFJFHSA-N -1 3 348.402 3.673 20 0 EHADHM CC(C)Oc1ccccc1[C@@H](C)NCc1ccccc1CC(=O)[O-] ZINC000833507239 605070568 /nfs/dbraw/zinc/07/05/68/605070568.db2.gz CPRVOGBKKNNOEF-OAHLLOKOSA-N -1 3 327.424 3.952 20 0 EHADHM C[C@@H](Oc1ccc(CNC(C)(C)c2cccc(F)c2)cc1)C(=O)[O-] ZINC000833543579 605096520 /nfs/dbraw/zinc/09/65/20/605096520.db2.gz ZNNJITSEJNIJGN-CYBMUJFWSA-N -1 3 331.387 3.703 20 0 EHADHM CCn1nc(C)c([C@@H](C)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)c1C ZINC000827716670 605119030 /nfs/dbraw/zinc/11/90/30/605119030.db2.gz DHGGFVIBJPCUHD-CHWSQXEVSA-N -1 3 344.459 3.699 20 0 EHADHM CC(C)C[C@@H]1CCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000570286873 605212696 /nfs/dbraw/zinc/21/26/96/605212696.db2.gz PXUQNYDBAQWNNL-AWEZNQCLSA-N -1 3 328.412 3.908 20 0 EHADHM CC(C)(C)Oc1ccc(CNCc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000833447464 605304135 /nfs/dbraw/zinc/30/41/35/605304135.db2.gz LIXWDYWJGFHKKV-UHFFFAOYSA-N -1 3 343.423 3.617 20 0 EHADHM CCC1(CC)CN(C(=O)c2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000825170743 607770261 /nfs/dbraw/zinc/77/02/61/607770261.db2.gz GXVHEKNKNGPKQK-UHFFFAOYSA-N -1 3 347.422 3.585 20 0 EHADHM CCC1(CC)CN(C(=O)c2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000825170743 607770262 /nfs/dbraw/zinc/77/02/62/607770262.db2.gz GXVHEKNKNGPKQK-UHFFFAOYSA-N -1 3 347.422 3.585 20 0 EHADHM Cc1ccc([C@H](C)Nc2nc3ccccc3cc2-c2nnn[n-]2)s1 ZINC000822229536 606055376 /nfs/dbraw/zinc/05/53/76/606055376.db2.gz WOSXLIQKCCXTQA-NSHDSACASA-N -1 3 336.424 3.958 20 0 EHADHM Cc1ccc([C@H](C)Nc2nc3ccccc3cc2-c2nn[n-]n2)s1 ZINC000822229536 606055382 /nfs/dbraw/zinc/05/53/82/606055382.db2.gz WOSXLIQKCCXTQA-NSHDSACASA-N -1 3 336.424 3.958 20 0 EHADHM CCCN(CCC)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000821100149 606184786 /nfs/dbraw/zinc/18/47/86/606184786.db2.gz UWDNYZSHPXDLPX-UHFFFAOYSA-N -1 3 349.438 3.796 20 0 EHADHM CCCN(CCC)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000821100149 606184787 /nfs/dbraw/zinc/18/47/87/606184787.db2.gz UWDNYZSHPXDLPX-UHFFFAOYSA-N -1 3 349.438 3.796 20 0 EHADHM C/C=C(\C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820826228 606282883 /nfs/dbraw/zinc/28/28/83/606282883.db2.gz LINARTBIKOGMFY-KGVSQERTSA-N -1 3 335.367 3.564 20 0 EHADHM C/C=C(\C)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820826228 606282884 /nfs/dbraw/zinc/28/28/84/606282884.db2.gz LINARTBIKOGMFY-KGVSQERTSA-N -1 3 335.367 3.564 20 0 EHADHM C/C=C(/C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820827562 606286874 /nfs/dbraw/zinc/28/68/74/606286874.db2.gz UAPXQJVTMWWAEH-BASWHVEKSA-N -1 3 335.367 3.564 20 0 EHADHM C/C=C(/C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820827562 606286875 /nfs/dbraw/zinc/28/68/75/606286875.db2.gz UAPXQJVTMWWAEH-BASWHVEKSA-N -1 3 335.367 3.564 20 0 EHADHM CCC(CC)N(CC(C)C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820897662 606333810 /nfs/dbraw/zinc/33/38/10/606333810.db2.gz KUGVTEMARXGRHL-UHFFFAOYSA-N -1 3 330.436 3.545 20 0 EHADHM CCC(CC)N(CC(C)C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820897662 606333812 /nfs/dbraw/zinc/33/38/12/606333812.db2.gz KUGVTEMARXGRHL-UHFFFAOYSA-N -1 3 330.436 3.545 20 0 EHADHM Cc1ccccc1C1(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000822351015 606357253 /nfs/dbraw/zinc/35/72/53/606357253.db2.gz JLBWYICIGBLETO-AWEZNQCLSA-N -1 3 348.406 3.511 20 0 EHADHM Cc1ccccc1C1(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822351015 606357255 /nfs/dbraw/zinc/35/72/55/606357255.db2.gz JLBWYICIGBLETO-AWEZNQCLSA-N -1 3 348.406 3.511 20 0 EHADHM CC(C)n1ccnc1CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820549798 606362826 /nfs/dbraw/zinc/36/28/26/606362826.db2.gz ROESKGSJYDGXFC-GFCCVEGCSA-N -1 3 328.445 3.639 20 0 EHADHM CC(C)n1ccnc1CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820549798 606362827 /nfs/dbraw/zinc/36/28/27/606362827.db2.gz ROESKGSJYDGXFC-GFCCVEGCSA-N -1 3 328.445 3.639 20 0 EHADHM CC[C@H](C)Oc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000820876132 606412916 /nfs/dbraw/zinc/41/29/16/606412916.db2.gz MHCCFBGXYKYHAU-NSHDSACASA-N -1 3 329.429 3.718 20 0 EHADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccc(OC(F)F)cc1 ZINC000820455920 606448042 /nfs/dbraw/zinc/44/80/42/606448042.db2.gz OKXOAFSEAOHIAM-SECBINFHSA-N -1 3 349.316 3.780 20 0 EHADHM Cc1cnc([C@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C2CC2)s1 ZINC000822388987 606469347 /nfs/dbraw/zinc/46/93/47/606469347.db2.gz IBQXLGQROZXRIG-CYBMUJFWSA-N -1 3 346.847 3.848 20 0 EHADHM Cc1cnc([C@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C2CC2)s1 ZINC000822388987 606469348 /nfs/dbraw/zinc/46/93/48/606469348.db2.gz IBQXLGQROZXRIG-CYBMUJFWSA-N -1 3 346.847 3.848 20 0 EHADHM C[C@@H]1CCc2c(sc(NC(=O)CCC3CCC3)c2-c2nnn[n-]2)C1 ZINC000820727593 606488606 /nfs/dbraw/zinc/48/86/06/606488606.db2.gz MVLXNNFHIWGQDY-SNVBAGLBSA-N -1 3 345.472 3.572 20 0 EHADHM C[C@@H]1CCc2c(sc(NC(=O)CCC3CCC3)c2-c2nn[n-]n2)C1 ZINC000820727593 606488607 /nfs/dbraw/zinc/48/86/07/606488607.db2.gz MVLXNNFHIWGQDY-SNVBAGLBSA-N -1 3 345.472 3.572 20 0 EHADHM CC(C)CC1(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC000820063635 606666930 /nfs/dbraw/zinc/66/69/30/606666930.db2.gz XTJMZSNFCROMKG-AWEZNQCLSA-N -1 3 341.459 3.650 20 0 EHADHM CC(C)CC1(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000820063635 606666931 /nfs/dbraw/zinc/66/69/31/606666931.db2.gz XTJMZSNFCROMKG-AWEZNQCLSA-N -1 3 341.459 3.650 20 0 EHADHM CCCCC[C@H](C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821042595 606667725 /nfs/dbraw/zinc/66/77/25/606667725.db2.gz FYFDSRAWLXYCML-KRWDZBQOSA-N -1 3 343.475 3.678 20 0 EHADHM CCCCC[C@H](C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821042595 606667726 /nfs/dbraw/zinc/66/77/26/606667726.db2.gz FYFDSRAWLXYCML-KRWDZBQOSA-N -1 3 343.475 3.678 20 0 EHADHM CC(C)Sc1ccccc1NCc1ccccc1-c1nnn[n-]1 ZINC000820183921 606707759 /nfs/dbraw/zinc/70/77/59/606707759.db2.gz MLPZDYURZYJDHY-UHFFFAOYSA-N -1 3 325.441 3.979 20 0 EHADHM CC(C)Sc1ccccc1NCc1ccccc1-c1nn[n-]n1 ZINC000820183921 606707760 /nfs/dbraw/zinc/70/77/60/606707760.db2.gz MLPZDYURZYJDHY-UHFFFAOYSA-N -1 3 325.441 3.979 20 0 EHADHM Cc1ccc([C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1F ZINC000822228825 606733459 /nfs/dbraw/zinc/73/34/59/606733459.db2.gz GIODAHQKVTWHSO-SECBINFHSA-N -1 3 332.770 3.536 20 0 EHADHM Cc1ccc([C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1F ZINC000822228825 606733460 /nfs/dbraw/zinc/73/34/60/606733460.db2.gz GIODAHQKVTWHSO-SECBINFHSA-N -1 3 332.770 3.536 20 0 EHADHM Clc1cc(-c2nnn[n-]2)ccc1SCc1nc2ccccc2o1 ZINC000822564290 606852016 /nfs/dbraw/zinc/85/20/16/606852016.db2.gz YQWMZVSCFSGKDE-UHFFFAOYSA-N -1 3 343.799 3.954 20 0 EHADHM Clc1cc(-c2nn[n-]n2)ccc1SCc1nc2ccccc2o1 ZINC000822564290 606852018 /nfs/dbraw/zinc/85/20/18/606852018.db2.gz YQWMZVSCFSGKDE-UHFFFAOYSA-N -1 3 343.799 3.954 20 0 EHADHM CC=C(C=CC(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)CC ZINC000820826499 607000920 /nfs/dbraw/zinc/00/09/20/607000920.db2.gz NBWIDBBGYOKTKS-YOVUKECGSA-N -1 3 339.443 3.689 20 0 EHADHM CC=C(C=CC(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)CC ZINC000820826499 607000921 /nfs/dbraw/zinc/00/09/21/607000921.db2.gz NBWIDBBGYOKTKS-YOVUKECGSA-N -1 3 339.443 3.689 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1OCc1csc(C2CCCC2)n1 ZINC000822221505 607030485 /nfs/dbraw/zinc/03/04/85/607030485.db2.gz RKRWXYBLQKUNEG-UHFFFAOYSA-N -1 3 341.440 3.868 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1OCc1csc(C2CCCC2)n1 ZINC000822221505 607030487 /nfs/dbraw/zinc/03/04/87/607030487.db2.gz RKRWXYBLQKUNEG-UHFFFAOYSA-N -1 3 341.440 3.868 20 0 EHADHM CC(C)CCc1nc(COc2ccc(-c3nnn[n-]3)cc2F)cs1 ZINC000820081772 607133814 /nfs/dbraw/zinc/13/38/14/607133814.db2.gz VDAMTFQQXPWINO-UHFFFAOYSA-N -1 3 347.419 3.630 20 0 EHADHM CC(C)CCc1nc(COc2ccc(-c3nn[n-]n3)cc2F)cs1 ZINC000820081772 607133816 /nfs/dbraw/zinc/13/38/16/607133816.db2.gz VDAMTFQQXPWINO-UHFFFAOYSA-N -1 3 347.419 3.630 20 0 EHADHM CCCCC[C@H]1CCCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821049645 607193944 /nfs/dbraw/zinc/19/39/44/607193944.db2.gz MDFBMLMZMFKEGC-ZDUSSCGKSA-N -1 3 346.410 3.582 20 0 EHADHM CCCCC[C@H]1CCCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821049645 607193945 /nfs/dbraw/zinc/19/39/45/607193945.db2.gz MDFBMLMZMFKEGC-ZDUSSCGKSA-N -1 3 346.410 3.582 20 0 EHADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000821014927 607194055 /nfs/dbraw/zinc/19/40/55/607194055.db2.gz LXDMJYAUSJPMPC-CZUORRHYSA-N -1 3 342.447 3.608 20 0 EHADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000821014927 607194056 /nfs/dbraw/zinc/19/40/56/607194056.db2.gz LXDMJYAUSJPMPC-CZUORRHYSA-N -1 3 342.447 3.608 20 0 EHADHM CC1CCC(N(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000820690416 607195504 /nfs/dbraw/zinc/19/55/04/607195504.db2.gz LLNYIIROJYQCMM-UHFFFAOYSA-N -1 3 348.838 3.563 20 0 EHADHM CC1CCC(N(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000820690416 607195505 /nfs/dbraw/zinc/19/55/05/607195505.db2.gz LLNYIIROJYQCMM-UHFFFAOYSA-N -1 3 348.838 3.563 20 0 EHADHM C[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)CC(C)(C)C ZINC000820225468 607241955 /nfs/dbraw/zinc/24/19/55/607241955.db2.gz JNGGJCGKKIVUQG-JTQLQIEISA-N -1 3 335.839 3.921 20 0 EHADHM C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)CC(C)(C)C ZINC000820225468 607241956 /nfs/dbraw/zinc/24/19/56/607241956.db2.gz JNGGJCGKKIVUQG-JTQLQIEISA-N -1 3 335.839 3.921 20 0 EHADHM Cc1ccc([C@@H](O)CSc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826284352 607842991 /nfs/dbraw/zinc/84/29/91/607842991.db2.gz RETFDELRVZGWEF-AWEZNQCLSA-N -1 3 346.843 3.654 20 0 EHADHM Cc1ccc([C@@H](O)CSc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826284352 607842992 /nfs/dbraw/zinc/84/29/92/607842992.db2.gz RETFDELRVZGWEF-AWEZNQCLSA-N -1 3 346.843 3.654 20 0 EHADHM CC(C)OC(=O)O[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824309364 607843570 /nfs/dbraw/zinc/84/35/70/607843570.db2.gz LCTSRKKFDFMSCP-MRVPVSSYSA-N -1 3 342.808 3.520 20 0 EHADHM CC(C)OC(=O)O[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824309364 607843569 /nfs/dbraw/zinc/84/35/69/607843569.db2.gz LCTSRKKFDFMSCP-MRVPVSSYSA-N -1 3 342.808 3.520 20 0 EHADHM CCC(CC)[C@@H](C)C(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825096330 608058321 /nfs/dbraw/zinc/05/83/21/608058321.db2.gz MFGGVFGZYBVHPH-KGLIPLIRSA-N -1 3 343.475 3.849 20 0 EHADHM CCC(CC)[C@@H](C)C(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825096330 608058322 /nfs/dbraw/zinc/05/83/22/608058322.db2.gz MFGGVFGZYBVHPH-KGLIPLIRSA-N -1 3 343.475 3.849 20 0 EHADHM COc1ccc(CSc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000826208066 608097130 /nfs/dbraw/zinc/09/71/30/608097130.db2.gz RDECRZYIRLSAGY-UHFFFAOYSA-N -1 3 332.816 3.821 20 0 EHADHM COc1ccc(CSc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000826208066 608097131 /nfs/dbraw/zinc/09/71/31/608097131.db2.gz RDECRZYIRLSAGY-UHFFFAOYSA-N -1 3 332.816 3.821 20 0 EHADHM CC[C@@H](C)n1ncc(Nc2cccc(F)c2-c2nnn[n-]2)c1C1CC1 ZINC000825080550 608098686 /nfs/dbraw/zinc/09/86/86/608098686.db2.gz AHHYKDRZUPPJFH-SNVBAGLBSA-N -1 3 341.394 3.794 20 0 EHADHM CC[C@@H](C)n1ncc(Nc2cccc(F)c2-c2nn[n-]n2)c1C1CC1 ZINC000825080550 608098687 /nfs/dbraw/zinc/09/86/87/608098687.db2.gz AHHYKDRZUPPJFH-SNVBAGLBSA-N -1 3 341.394 3.794 20 0 EHADHM CC[C@H](C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825038431 608182359 /nfs/dbraw/zinc/18/23/59/608182359.db2.gz BJVYTVGIGKUYRN-DYVFJYSZSA-N -1 3 336.395 3.665 20 0 EHADHM CC[C@H](C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825038431 608182361 /nfs/dbraw/zinc/18/23/61/608182361.db2.gz BJVYTVGIGKUYRN-DYVFJYSZSA-N -1 3 336.395 3.665 20 0 EHADHM C[C@@H](OC(=O)[C@H]1CCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000824713712 608184701 /nfs/dbraw/zinc/18/47/01/608184701.db2.gz KEBACSLHXCESGT-ACJLOTCBSA-N -1 3 348.406 3.591 20 0 EHADHM C[C@@H](OC(=O)[C@H]1CCCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000824713712 608184702 /nfs/dbraw/zinc/18/47/02/608184702.db2.gz KEBACSLHXCESGT-ACJLOTCBSA-N -1 3 348.406 3.591 20 0 EHADHM C[C@@H](Cc1ccsc1)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000824466853 608223195 /nfs/dbraw/zinc/22/31/95/608223195.db2.gz ZPTXLSWJHSEURM-NSHDSACASA-N -1 3 336.424 3.520 20 0 EHADHM C[C@@H](Cc1ccsc1)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000824466853 608223197 /nfs/dbraw/zinc/22/31/97/608223197.db2.gz ZPTXLSWJHSEURM-NSHDSACASA-N -1 3 336.424 3.520 20 0 EHADHM CCS[C@H]1CCC[C@H]1Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825669569 608231698 /nfs/dbraw/zinc/23/16/98/608231698.db2.gz ZXNAGODOAHCTLH-CABCVRRESA-N -1 3 340.456 3.501 20 0 EHADHM CCS[C@H]1CCC[C@H]1Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825669569 608231699 /nfs/dbraw/zinc/23/16/99/608231699.db2.gz ZXNAGODOAHCTLH-CABCVRRESA-N -1 3 340.456 3.501 20 0 EHADHM CCN(C(=O)[C@H]1CCC[C@H](C)C1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825368042 608346470 /nfs/dbraw/zinc/34/64/70/608346470.db2.gz ZOYBCJSCVQQPHY-RYUDHWBXSA-N -1 3 347.850 3.699 20 0 EHADHM CCN(C(=O)[C@H]1CCC[C@H](C)C1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825368042 608346471 /nfs/dbraw/zinc/34/64/71/608346471.db2.gz ZOYBCJSCVQQPHY-RYUDHWBXSA-N -1 3 347.850 3.699 20 0 EHADHM Clc1ccc([C@H]2CCN2Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826351518 608729549 /nfs/dbraw/zinc/72/95/49/608729549.db2.gz PQVCVUNYHXUYTQ-CYBMUJFWSA-N -1 3 331.832 3.529 20 0 EHADHM Clc1ccc([C@H]2CCN2Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826351518 608729551 /nfs/dbraw/zinc/72/95/51/608729551.db2.gz PQVCVUNYHXUYTQ-CYBMUJFWSA-N -1 3 331.832 3.529 20 0 EHADHM C[C@H]1CCN(c2ccc(F)cc2-c2nnn[n-]2)[C@@H](c2ccco2)C1 ZINC000824961416 609164757 /nfs/dbraw/zinc/16/47/57/609164757.db2.gz CLJMVXTZIHGHDN-XHDPSFHLSA-N -1 3 327.363 3.576 20 0 EHADHM C[C@H]1CCN(c2ccc(F)cc2-c2nn[n-]n2)[C@@H](c2ccco2)C1 ZINC000824961416 609164759 /nfs/dbraw/zinc/16/47/59/609164759.db2.gz CLJMVXTZIHGHDN-XHDPSFHLSA-N -1 3 327.363 3.576 20 0 EHADHM C[C@H](Nc1ccc2c(c1)CCCO2)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824658293 609277559 /nfs/dbraw/zinc/27/75/59/609277559.db2.gz VMMGCVSIVQAEDD-NSHDSACASA-N -1 3 339.374 3.504 20 0 EHADHM C[C@H](Nc1ccc2c(c1)CCCO2)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824658293 609277560 /nfs/dbraw/zinc/27/75/60/609277560.db2.gz VMMGCVSIVQAEDD-NSHDSACASA-N -1 3 339.374 3.504 20 0 EHADHM CCOc1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)ccc1C ZINC000825616006 609278110 /nfs/dbraw/zinc/27/81/10/609278110.db2.gz SKZTWQGTNAKQBX-LBPRGKRZSA-N -1 3 341.390 3.886 20 0 EHADHM CCOc1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)ccc1C ZINC000825616006 609278111 /nfs/dbraw/zinc/27/81/11/609278111.db2.gz SKZTWQGTNAKQBX-LBPRGKRZSA-N -1 3 341.390 3.886 20 0 EHADHM C[C@H](Nc1ccc2c(c1)CC(C)(C)O2)c1cccc(-c2nnn[n-]2)c1 ZINC000824657202 609279446 /nfs/dbraw/zinc/27/94/46/609279446.db2.gz PPEUWIJMDNVQMB-LBPRGKRZSA-N -1 3 335.411 3.753 20 0 EHADHM C[C@H](Nc1ccc2c(c1)CC(C)(C)O2)c1cccc(-c2nn[n-]n2)c1 ZINC000824657202 609279448 /nfs/dbraw/zinc/27/94/48/609279448.db2.gz PPEUWIJMDNVQMB-LBPRGKRZSA-N -1 3 335.411 3.753 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(C)c(C)cc1Cl ZINC000826267706 609281088 /nfs/dbraw/zinc/28/10/88/609281088.db2.gz RFCRJQDSRNBHFJ-UHFFFAOYSA-N -1 3 341.802 3.698 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C)c(C)cc1Cl ZINC000826267706 609281090 /nfs/dbraw/zinc/28/10/90/609281090.db2.gz RFCRJQDSRNBHFJ-UHFFFAOYSA-N -1 3 341.802 3.698 20 0 EHADHM C[C@@H](SCc1ccc(Cl)cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824754632 609328638 /nfs/dbraw/zinc/32/86/38/609328638.db2.gz IVSHYMBBVJRZPY-SNVBAGLBSA-N -1 3 331.832 3.910 20 0 EHADHM C[C@@H](SCc1ccc(Cl)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824754632 609328640 /nfs/dbraw/zinc/32/86/40/609328640.db2.gz IVSHYMBBVJRZPY-SNVBAGLBSA-N -1 3 331.832 3.910 20 0 EHADHM CSc1cccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826231075 609346785 /nfs/dbraw/zinc/34/67/85/609346785.db2.gz VUICADKMYWHFNT-SNVBAGLBSA-N -1 3 329.404 3.901 20 0 EHADHM CSc1cccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826231075 609346787 /nfs/dbraw/zinc/34/67/87/609346787.db2.gz VUICADKMYWHFNT-SNVBAGLBSA-N -1 3 329.404 3.901 20 0 EHADHM Cc1nc2cc(N[C@H](C)c3cccc(-c4nnn[n-]4)c3)ccc2s1 ZINC000826329219 609351578 /nfs/dbraw/zinc/35/15/78/609351578.db2.gz UQZMHYJIRMYSSG-SNVBAGLBSA-N -1 3 336.424 3.958 20 0 EHADHM Cc1nc2cc(N[C@H](C)c3cccc(-c4nn[n-]n4)c3)ccc2s1 ZINC000826329219 609351580 /nfs/dbraw/zinc/35/15/80/609351580.db2.gz UQZMHYJIRMYSSG-SNVBAGLBSA-N -1 3 336.424 3.958 20 0 EHADHM CSc1ccc(Cl)cc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000826230761 609476309 /nfs/dbraw/zinc/47/63/09/609476309.db2.gz JDQBUFZLRPMLSA-UHFFFAOYSA-N -1 3 349.822 3.993 20 0 EHADHM CSc1ccc(Cl)cc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000826230761 609476310 /nfs/dbraw/zinc/47/63/10/609476310.db2.gz JDQBUFZLRPMLSA-UHFFFAOYSA-N -1 3 349.822 3.993 20 0 EHADHM CC(C)Oc1ccc(NCc2cccc3cc[nH]c32)cc1-c1nnn[n-]1 ZINC000824329802 609492409 /nfs/dbraw/zinc/49/24/09/609492409.db2.gz WASMWYQOKINYPH-UHFFFAOYSA-N -1 3 348.410 3.747 20 0 EHADHM CC(C)Oc1ccc(NCc2cccc3cc[nH]c32)cc1-c1nn[n-]n1 ZINC000824329802 609492411 /nfs/dbraw/zinc/49/24/11/609492411.db2.gz WASMWYQOKINYPH-UHFFFAOYSA-N -1 3 348.410 3.747 20 0 EHADHM C[C@H]1CC(C)(C)c2ccccc2N1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824876870 609622835 /nfs/dbraw/zinc/62/28/35/609622835.db2.gz URQVUHNGNPNUHH-ZDUSSCGKSA-N -1 3 347.422 3.583 20 0 EHADHM C[C@H]1CC(C)(C)c2ccccc2N1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824876870 609622836 /nfs/dbraw/zinc/62/28/36/609622836.db2.gz URQVUHNGNPNUHH-ZDUSSCGKSA-N -1 3 347.422 3.583 20 0 EHADHM CC(C)c1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000468400507 944633186 /nfs/dbraw/zinc/63/31/86/944633186.db2.gz XJMNZTGEEBPPMI-UHFFFAOYSA-N -1 3 341.802 3.896 20 0 EHADHM CC(C)c1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000468400507 944633198 /nfs/dbraw/zinc/63/31/98/944633198.db2.gz XJMNZTGEEBPPMI-UHFFFAOYSA-N -1 3 341.802 3.896 20 0 EHADHM CC(C)[C@H](C)C(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735701222 944692752 /nfs/dbraw/zinc/69/27/52/944692752.db2.gz KKROOLULNANDOB-ZDUSSCGKSA-N -1 3 336.395 3.731 20 0 EHADHM CC(C)[C@H](C)C(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735701222 944692759 /nfs/dbraw/zinc/69/27/59/944692759.db2.gz KKROOLULNANDOB-ZDUSSCGKSA-N -1 3 336.395 3.731 20 0 EHADHM CCCCCC[C@@H](C)CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736443605 944823786 /nfs/dbraw/zinc/82/37/86/944823786.db2.gz APHLGAFSRHEMJI-CYBMUJFWSA-N -1 3 347.438 3.965 20 0 EHADHM CCCCCC[C@@H](C)CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736443605 944823797 /nfs/dbraw/zinc/82/37/97/944823797.db2.gz APHLGAFSRHEMJI-CYBMUJFWSA-N -1 3 347.438 3.965 20 0 EHADHM C[C@H]1c2ccccc2CN1c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820825800 945561311 /nfs/dbraw/zinc/56/13/11/945561311.db2.gz DSPJGRRGVGJRQH-JTQLQIEISA-N -1 3 345.328 3.967 20 0 EHADHM C[C@H]1c2ccccc2CN1c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820825800 945561320 /nfs/dbraw/zinc/56/13/20/945561320.db2.gz DSPJGRRGVGJRQH-JTQLQIEISA-N -1 3 345.328 3.967 20 0 EHADHM CC(C)=CC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824177663 946610941 /nfs/dbraw/zinc/61/09/41/946610941.db2.gz ICCIRBWQJULKOJ-CQSZACIVSA-N -1 3 347.422 3.677 20 0 EHADHM CC(C)=CC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824177663 946610948 /nfs/dbraw/zinc/61/09/48/946610948.db2.gz ICCIRBWQJULKOJ-CQSZACIVSA-N -1 3 347.422 3.677 20 0 EHADHM CC(C)c1nc([C@@H](C)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824358850 946670091 /nfs/dbraw/zinc/67/00/91/946670091.db2.gz QOUUAHCZTMAVFW-VXGBXAGGSA-N -1 3 342.472 3.858 20 0 EHADHM C[C@@H](N[C@H](c1ccco1)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824539857 946779539 /nfs/dbraw/zinc/77/95/39/946779539.db2.gz QDZJSCPLLZTYIW-KUHUBIRLSA-N -1 3 345.406 3.900 20 0 EHADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1c(F)cccc1Cl ZINC000825782838 947330835 /nfs/dbraw/zinc/33/08/35/947330835.db2.gz RHFWZWCODDCJAD-UHFFFAOYSA-N -1 3 342.765 3.696 20 0 EHADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1c(F)cccc1Cl ZINC000825782838 947330846 /nfs/dbraw/zinc/33/08/46/947330846.db2.gz RHFWZWCODDCJAD-UHFFFAOYSA-N -1 3 342.765 3.696 20 0 EHADHM Clc1ccc(CSc2cccc(Cl)c2-c2nnn[n-]2)nc1 ZINC000826352195 948101537 /nfs/dbraw/zinc/10/15/37/948101537.db2.gz RHIFWGCIRRAQQA-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM Clc1ccc(CSc2cccc(Cl)c2-c2nn[n-]n2)nc1 ZINC000826352195 948101542 /nfs/dbraw/zinc/10/15/42/948101542.db2.gz RHIFWGCIRRAQQA-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM Clc1cccc(SCc2nc3ccccc3[nH]2)c1-c1nnn[n-]1 ZINC000826353537 948104208 /nfs/dbraw/zinc/10/42/08/948104208.db2.gz TZCBVIOHTVMQCJ-UHFFFAOYSA-N -1 3 342.815 3.689 20 0 EHADHM Clc1cccc(SCc2nc3ccccc3[nH]2)c1-c1nn[n-]n1 ZINC000826353537 948104213 /nfs/dbraw/zinc/10/42/13/948104213.db2.gz TZCBVIOHTVMQCJ-UHFFFAOYSA-N -1 3 342.815 3.689 20 0 EHADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)C(C)(C)CC2)C1CCC1 ZINC001573754357 948742131 /nfs/dbraw/zinc/74/21/31/948742131.db2.gz FKJCSTKVSSNKQR-SECBINFHSA-N -1 3 345.472 3.527 20 0 EHADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)C(C)(C)CC2)C1CCC1 ZINC001573754357 948742137 /nfs/dbraw/zinc/74/21/37/948742137.db2.gz FKJCSTKVSSNKQR-SECBINFHSA-N -1 3 345.472 3.527 20 0 EHADHM CC(C)C1(C)CCN(c2ncc(-c3nnn[n-]3)c3ccsc32)CC1 ZINC001574088015 948907303 /nfs/dbraw/zinc/90/73/03/948907303.db2.gz CTJUOBYWGLAPCA-UHFFFAOYSA-N -1 3 342.472 3.739 20 0 EHADHM CC(C)C1(C)CCN(c2ncc(-c3nn[n-]n3)c3ccsc32)CC1 ZINC001574088015 948907307 /nfs/dbraw/zinc/90/73/07/948907307.db2.gz CTJUOBYWGLAPCA-UHFFFAOYSA-N -1 3 342.472 3.739 20 0 EHADHM C[C@H]1CCCC[C@@H]1C(=O)Nc1cc2ccccc2cc1-c1nnn[n-]1 ZINC001576167281 949602983 /nfs/dbraw/zinc/60/29/83/949602983.db2.gz BZIZASVJEQEOGC-WFASDCNBSA-N -1 3 335.411 3.785 20 0 EHADHM C[C@H]1CCCC[C@@H]1C(=O)Nc1cc2ccccc2cc1-c1nn[n-]n1 ZINC001576167281 949602995 /nfs/dbraw/zinc/60/29/95/949602995.db2.gz BZIZASVJEQEOGC-WFASDCNBSA-N -1 3 335.411 3.785 20 0 EHADHM C[C@@H](OC(=O)C[C@H]1CCCC[C@H]1C)c1cccc(-c2nnn[n-]2)c1 ZINC001576171948 949783624 /nfs/dbraw/zinc/78/36/24/949783624.db2.gz RQZDBJUXSUSKST-MGPQQGTHSA-N -1 3 328.416 3.687 20 0 EHADHM C[C@@H](OC(=O)C[C@H]1CCCC[C@H]1C)c1cccc(-c2nn[n-]n2)c1 ZINC001576171948 949783633 /nfs/dbraw/zinc/78/36/33/949783633.db2.gz RQZDBJUXSUSKST-MGPQQGTHSA-N -1 3 328.416 3.687 20 0 EHADHM CC(C)(C)CCSc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC001573845773 950239800 /nfs/dbraw/zinc/23/98/00/950239800.db2.gz LLGBIFYSRWJIGU-UHFFFAOYSA-N -1 3 331.367 3.809 20 0 EHADHM CC(C)(C)CCSc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC001573845773 950239815 /nfs/dbraw/zinc/23/98/15/950239815.db2.gz LLGBIFYSRWJIGU-UHFFFAOYSA-N -1 3 331.367 3.809 20 0 EHADHM O=c1cc(CN[C@H](CC(F)(F)F)c2ccccc2)nc(C2CC2)[n-]1 ZINC000459397175 1032064923 /nfs/dbraw/zinc/06/49/23/1032064923.db2.gz RHBFBPBSDIWRLR-CQSZACIVSA-N -1 3 337.345 3.843 20 0 EHADHM O=C([O-])c1ccc(CNCc2ccc(N3CCCCCC3)nc2)s1 ZINC000903677634 956857598 /nfs/dbraw/zinc/85/75/98/956857598.db2.gz TYOFMNDNTYSXIZ-UHFFFAOYSA-N -1 3 345.468 3.512 20 0 EHADHM C[C@H](c1ccc(Br)cc1)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000086782729 957986354 /nfs/dbraw/zinc/98/63/54/957986354.db2.gz QTRNPFNZDMGSFC-IAQYHMDHSA-N -1 3 326.234 3.697 20 0 EHADHM C[C@@H]1C[C@H](C)CN(Cc2ccc(C(=O)[O-])cc2Br)C1 ZINC000226718344 959895306 /nfs/dbraw/zinc/89/53/06/959895306.db2.gz UVXPXLZGSPZLGO-PHIMTYICSA-N -1 3 326.234 3.625 20 0 EHADHM COc1cccc(C2CCN(Cc3cc(C(=O)[O-])ccc3F)CC2)c1 ZINC001231461266 960614233 /nfs/dbraw/zinc/61/42/33/960614233.db2.gz WSTPNGZCLQRBOY-UHFFFAOYSA-N -1 3 343.398 3.912 20 0 EHADHM Cc1ccc(-c2nc(CN3C[C@H](C(=O)[O-])C[C@H](C)C3)cs2)cc1 ZINC000263322908 1125481632 /nfs/dbraw/zinc/48/16/32/1125481632.db2.gz JXWQNTLVYUTGTM-DZGCQCFKSA-N -1 3 330.453 3.661 20 0 EHADHM CC(C)(C)OCc1cccc(CNCc2cccc(C(=O)[O-])c2)c1 ZINC000263446294 962631185 /nfs/dbraw/zinc/63/11/85/962631185.db2.gz XYTRWNORNVCOQX-UHFFFAOYSA-N -1 3 327.424 3.990 20 0 EHADHM C[C@H](c1ccc(Br)cc1)N1CCC[C@H](CC(=O)[O-])C1 ZINC000086756843 967574726 /nfs/dbraw/zinc/57/47/26/967574726.db2.gz QXZHQAHVGZSCRS-VXGBXAGGSA-N -1 3 326.234 3.697 20 0 EHADHM O=C([O-])C[C@H]1CCCN(Cc2ccc(Sc3ccccn3)o2)C1 ZINC000666581223 968850160 /nfs/dbraw/zinc/85/01/60/968850160.db2.gz DKKXMHMDNKDHEN-CYBMUJFWSA-N -1 3 332.425 3.513 20 0 EHADHM COc1ccccc1-c1nc(CN2CCCC[C@H]2CCC(=O)[O-])co1 ZINC000872160965 969350472 /nfs/dbraw/zinc/35/04/72/969350472.db2.gz PVLPFQXBSAPLCW-HNNXBMFYSA-N -1 3 344.411 3.570 20 0 EHADHM CCc1cnccc1[C@@H](C)NCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459412032 1032080999 /nfs/dbraw/zinc/08/09/99/1032080999.db2.gz PCJSGLGAMQEZJB-CQSZACIVSA-N -1 3 334.423 3.657 20 0 EHADHM Cc1cc(CNCc2ccc(C(=O)[O-])cc2)ccc1Br ZINC000426700808 974044176 /nfs/dbraw/zinc/04/41/76/974044176.db2.gz UWZMXRGBYHLLON-UHFFFAOYSA-N -1 3 334.213 3.746 20 0 EHADHM COc1cc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)ccc1SC ZINC000426751858 974045793 /nfs/dbraw/zinc/04/57/93/974045793.db2.gz YOYXXTZHSMEIGZ-GOSISDBHSA-N -1 3 345.464 3.949 20 0 EHADHM O=C([O-])C[C@H]1CSCCN1Cc1ccc(Cl)c2ccccc12 ZINC000563278572 974524938 /nfs/dbraw/zinc/52/49/38/974524938.db2.gz SVDSTBALTSPDNY-ZDUSSCGKSA-N -1 3 335.856 3.885 20 0 EHADHM CC(C)(C)c1csc(CN2CC[C@](C(=O)[O-])(c3ccccc3)C2)n1 ZINC000565110228 974572731 /nfs/dbraw/zinc/57/27/31/974572731.db2.gz CMUWDTMXDIZPEC-LJQANCHMSA-N -1 3 344.480 3.669 20 0 EHADHM CC(C)(C)c1nc(CN2CC[C@](C(=O)[O-])(c3ccccc3)C2)cs1 ZINC000566567010 974617077 /nfs/dbraw/zinc/61/70/77/974617077.db2.gz SUFMSKSVVUDTGN-LJQANCHMSA-N -1 3 344.480 3.669 20 0 EHADHM CCc1nc(C)c(CN2CCC(Cc3ccccc3C(=O)[O-])CC2)o1 ZINC000568290379 974667336 /nfs/dbraw/zinc/66/73/36/974667336.db2.gz IHWIGKALEHFEMC-UHFFFAOYSA-N -1 3 342.439 3.698 20 0 EHADHM O=C([O-])[C@@H]1CC12CCN(Cc1cc(Cl)ccc1OCC1CC1)CC2 ZINC000577759630 974842549 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Cc1cc(NC(=O)c2c([O-])cccc2O)ccc1Oc1cccnc1 ZINC000092119931 1023355291 /nfs/dbraw/zinc/35/52/91/1023355291.db2.gz YZQSJSRGROVSBG-UHFFFAOYSA-N -1 3 336.347 3.846 20 0 EHADHM CCn1cc(C[N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)cn1 ZINC000843592833 1023446747 /nfs/dbraw/zinc/44/67/47/1023446747.db2.gz GHZLMNRGXKXUNR-UHFFFAOYSA-N -1 3 348.180 3.618 20 0 EHADHM CC[C@@H]1[C@@H](C)CCN1C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000548479127 1023450028 /nfs/dbraw/zinc/45/00/28/1023450028.db2.gz DPGYUDSFQXPSOP-YVEFUNNKSA-N -1 3 340.427 3.810 20 0 EHADHM CC(=O)c1cccc(NC(=O)[C@H](c2ccncc2)C2CCCC2)c1[O-] ZINC000897764358 1033155164 /nfs/dbraw/zinc/15/51/64/1033155164.db2.gz DWPNOVOIMGTGJX-SFHVURJKSA-N -1 3 338.407 3.902 20 0 EHADHM Cc1cc(Cl)c([N-]S(=O)(=O)c2cncc(F)c2)cc1Cl ZINC000443463931 1023994821 /nfs/dbraw/zinc/99/48/21/1023994821.db2.gz KMLWGGNJKNEZLN-UHFFFAOYSA-N -1 3 335.187 3.637 20 0 EHADHM CCCCOc1cc(CN2CCC(CCC(=O)[O-])CC2)ccc1OC ZINC000665342129 1024024365 /nfs/dbraw/zinc/02/43/65/1024024365.db2.gz 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339.863 3.655 20 0 EHADHM COc1cccc([C@@H](CC(=O)[O-])NCc2cc(C)ccc2C)c1OC ZINC000277434817 1025089705 /nfs/dbraw/zinc/08/97/05/1025089705.db2.gz UEQOFASDJPMEFO-QGZVFWFLSA-N -1 3 343.423 3.626 20 0 EHADHM CCc1ccccc1CCSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000435791942 1025139278 /nfs/dbraw/zinc/13/92/78/1025139278.db2.gz SMODJPQNYZCQJF-UHFFFAOYSA-N -1 3 344.480 3.961 20 0 EHADHM O=C(Nc1ncccc1[O-])c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC000435818808 1025153830 /nfs/dbraw/zinc/15/38/30/1025153830.db2.gz NYSIIMFEDKVYTG-UHFFFAOYSA-N -1 3 349.177 3.532 20 0 EHADHM O=C(c1ccc(O)cc1[O-])N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000034775609 1025210973 /nfs/dbraw/zinc/21/09/73/1025210973.db2.gz ZBSLTGRVSBSUQC-OAQYLSRUSA-N -1 3 345.398 3.886 20 0 EHADHM O=C(Nc1ccc(Br)cc1[O-])C1Cc2ccccc2C1 ZINC000515548766 1025341616 /nfs/dbraw/zinc/34/16/16/1025341616.db2.gz HXIHENROVNYVFV-UHFFFAOYSA-N -1 3 332.197 3.508 20 0 EHADHM O=C(N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)c1cc([O-])ccc1Cl ZINC001167550928 1025404780 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CCc1ccc(C(=O)N2CC[C@](F)(c3ccccc3C)C2)c([O-])c1 ZINC000436517877 1025847470 /nfs/dbraw/zinc/84/74/70/1025847470.db2.gz YZPCUPDNDVHWEZ-HXUWFJFHSA-N -1 3 327.399 3.974 20 0 EHADHM CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cccc(C)c2[O-])c(C)c1 ZINC000436546489 1025849823 /nfs/dbraw/zinc/84/98/23/1025849823.db2.gz FXRRXPKPFWWPJM-AWEZNQCLSA-N -1 3 340.423 3.790 20 0 EHADHM CC(C)(C)[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000522011988 1025873693 /nfs/dbraw/zinc/87/36/93/1025873693.db2.gz BDXDLKLLDVUPNH-MRXNPFEDSA-N -1 3 325.412 3.577 20 0 EHADHM CCCOc1ccc([C@@H](C)NC(=O)c2ccccc2[O-])cc1OC ZINC000436560249 1025884164 /nfs/dbraw/zinc/88/41/64/1025884164.db2.gz ANXXGJOILVETBW-CYBMUJFWSA-N -1 3 329.396 3.681 20 0 EHADHM COCCOc1cc(C)ccc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436559651 1025885757 /nfs/dbraw/zinc/88/57/57/1025885757.db2.gz AUUHJABAGCYDCG-UHFFFAOYSA-N -1 3 329.396 3.595 20 0 EHADHM COc1ccc(C(=O)N(Cc2ccc(C)c(C)c2)C2CC2)c([O-])c1 ZINC000436563781 1025890761 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CC(=O)c1ccc(C(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)cc1[O-] ZINC000436627773 1025954699 /nfs/dbraw/zinc/95/46/99/1025954699.db2.gz YCXSPNJPKDKUHW-UHFFFAOYSA-N -1 3 349.390 3.991 20 0 EHADHM CC(C)c1ccc(C(=O)NCc2ccccc2Cn2ccnc2)c([O-])c1 ZINC000436650559 1025976783 /nfs/dbraw/zinc/97/67/83/1025976783.db2.gz RXFKTHSESWMYDE-UHFFFAOYSA-N -1 3 349.434 3.690 20 0 EHADHM Cc1ccc([C@@H](NC(=O)c2ccc(C)cc2[O-])c2ccccn2)cc1 ZINC000436645491 1025994283 /nfs/dbraw/zinc/99/42/83/1025994283.db2.gz DCIJFCBYBVBHFU-HXUWFJFHSA-N -1 3 332.403 3.923 20 0 EHADHM O=C(N[C@H](c1ccccc1)c1cccc(F)c1)c1ccc(O)cc1[O-] ZINC000436679415 1026030118 /nfs/dbraw/zinc/03/01/18/1026030118.db2.gz KGIQBLWAZSZHID-LJQANCHMSA-N -1 3 337.350 3.756 20 0 EHADHM CC(C)(C)c1ccc2c(c1)CN(C(=O)c1c([O-])cccc1O)CC2 ZINC000436680720 1026031911 /nfs/dbraw/zinc/03/19/11/1026031911.db2.gz OCMWRFBKVGXKRS-UHFFFAOYSA-N -1 3 325.408 3.594 20 0 EHADHM Cc1ccc(C(=O)Nc2ccccc2OC[C@H]2CCCCO2)c([O-])c1 ZINC000436709663 1026050052 /nfs/dbraw/zinc/05/00/52/1026050052.db2.gz OPJNFAYVGPLQKM-OAHLLOKOSA-N -1 3 341.407 3.901 20 0 EHADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC[C@H]1CF ZINC000436726176 1026073218 /nfs/dbraw/zinc/07/32/18/1026073218.db2.gz WUSWCRVJBOMYMR-KRWDZBQOSA-N -1 3 327.399 3.752 20 0 EHADHM Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC000436723645 1026099809 /nfs/dbraw/zinc/09/98/09/1026099809.db2.gz LZXYDAGWXSCKSF-CQSZACIVSA-N -1 3 344.842 3.610 20 0 EHADHM Cc1nc2cc(F)cc(C(=O)Nc3ccc(Cl)cc3[O-])c2nc1C ZINC000436737491 1026104677 /nfs/dbraw/zinc/10/46/77/1026104677.db2.gz IXPYDGGRKSCDNF-UHFFFAOYSA-N -1 3 345.761 3.997 20 0 EHADHM C[C@@H]1CCN(c2cc(C(=O)Nc3ccc(Cl)cc3[O-])ccn2)C1 ZINC000436742179 1026110322 /nfs/dbraw/zinc/11/03/22/1026110322.db2.gz VIGQRNDBCJTLDX-LLVKDONJSA-N -1 3 331.803 3.539 20 0 EHADHM C[C@@H](CNC(=O)c1c([O-])cccc1O)c1ccc(C(F)(F)F)cc1 ZINC000443804420 1026116132 /nfs/dbraw/zinc/11/61/32/1026116132.db2.gz UTTSVRWOKIUHQY-JTQLQIEISA-N -1 3 339.313 3.650 20 0 EHADHM CC(=O)Nc1ccc(F)c(NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000436753312 1026141919 /nfs/dbraw/zinc/14/19/19/1026141919.db2.gz DOZHAUFVUIJMOY-UHFFFAOYSA-N -1 3 342.370 3.621 20 0 EHADHM COc1cc(OC)c(NC(=O)c2ccc(C)c(C)c2[O-])cc1Cl ZINC000436755577 1026146281 /nfs/dbraw/zinc/14/62/81/1026146281.db2.gz NVVUUNKRPFXFIT-UHFFFAOYSA-N -1 3 335.787 3.932 20 0 EHADHM O=C(N=c1cc(-c2ccccc2)o[n-]1)c1cc(-c2cccc(F)c2)no1 ZINC000530641686 1026178588 /nfs/dbraw/zinc/17/85/88/1026178588.db2.gz GPNMSROCFNXDCJ-UHFFFAOYSA-N -1 3 349.321 3.810 20 0 EHADHM Cc1nc(-c2ccc(NC(=O)NC3C(C)(C)C3(C)C)cc2)cc(=O)[n-]1 ZINC000530728828 1026233524 /nfs/dbraw/zinc/23/35/24/1026233524.db2.gz XGSWIQVFVPYUCB-UHFFFAOYSA-N -1 3 340.427 3.714 20 0 EHADHM CCc1cccc(C(=O)Nc2nc(-c3ccccn3)cs2)c1[O-] ZINC000530721336 1026246512 /nfs/dbraw/zinc/24/65/12/1026246512.db2.gz GSHCVPGVIINQAL-UHFFFAOYSA-N -1 3 325.393 3.725 20 0 EHADHM CC(=O)c1cccc(NC(=O)CCOc2cccc(Cl)c2)c1[O-] ZINC000582442099 1026252688 /nfs/dbraw/zinc/25/26/88/1026252688.db2.gz 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COc1ccc(C2(C(=O)Nc3cccc([O-])c3F)CCCC2)cc1 ZINC000534209088 1034235718 /nfs/dbraw/zinc/23/57/18/1034235718.db2.gz HHSUKJOSHLEZRO-UHFFFAOYSA-N -1 3 329.371 3.990 20 0 EHADHM CC(C)Cc1csc2[n-]c(COCc3ccccc3)nc(=O)c12 ZINC000057771546 1034237677 /nfs/dbraw/zinc/23/76/77/1034237677.db2.gz NZQRTOOHUCJYJO-UHFFFAOYSA-N -1 3 328.437 3.900 20 0 EHADHM COC[C@@H](/N=C/c1cc(Br)ccc1[O-])c1ccccc1 ZINC000171252678 1034276870 /nfs/dbraw/zinc/27/68/70/1034276870.db2.gz JHQYVVBNZBOCKM-BFERYNQYSA-N -1 3 334.213 3.961 20 0 EHADHM CCC[C@@H](C(=O)Nc1cnc(C(=O)OCC)[n-]1)c1ccc(Cl)cc1 ZINC000597564741 1034821873 /nfs/dbraw/zinc/82/18/73/1034821873.db2.gz XGCRTNSEDOFHHT-CYBMUJFWSA-N -1 3 349.818 3.762 20 0 EHADHM CCC[C@@H](C(=O)Nc1c[n-]c(C(=O)OCC)n1)c1ccc(Cl)cc1 ZINC000597564741 1034821888 /nfs/dbraw/zinc/82/18/88/1034821888.db2.gz XGCRTNSEDOFHHT-CYBMUJFWSA-N -1 3 349.818 3.762 20 0 EHADHM [O-]c1cc(Br)cnc1CN[C@H](c1cccs1)C1CC1 ZINC000892488873 1034822700 /nfs/dbraw/zinc/82/27/00/1034822700.db2.gz YTEPWLMHZYFALA-AWEZNQCLSA-N -1 3 339.258 3.852 20 0 EHADHM Clc1ccc([C@@H](N=c2ncnc3[nH][n-]cc2-3)C2CCCC2)cc1 ZINC000511385934 1035255298 /nfs/dbraw/zinc/25/52/98/1035255298.db2.gz TZAVHWKMTJYACR-HNNXBMFYSA-N -1 3 327.819 3.723 20 0 EHADHM CSc1ccc(S(=O)(=O)[N-]c2ccncc2C)cc1Cl ZINC000185618571 1035501915 /nfs/dbraw/zinc/50/19/15/1035501915.db2.gz IBWKBSUMZJRHPV-UHFFFAOYSA-N -1 3 328.846 3.566 20 0 EHADHM CC(C)CCC(=O)N[N-]C(=O)c1sccc1-c1ccc(F)cc1 ZINC000066572117 1035746916 /nfs/dbraw/zinc/74/69/16/1035746916.db2.gz GRMNSCMIBOINNA-UHFFFAOYSA-N -1 3 334.416 3.751 20 0 EHADHM CC(C)n1cc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)cn1 ZINC000066585454 1035819397 /nfs/dbraw/zinc/81/93/97/1035819397.db2.gz ODFAWQGVHQWYKC-BQYQJAHWSA-N -1 3 325.821 3.530 20 0 EHADHM O=C(Nc1cccc([O-])c1F)c1c[nH]nc1-c1ccccc1Cl ZINC000534945918 1035820754 /nfs/dbraw/zinc/82/07/54/1035820754.db2.gz WZYRSEROSCESLU-UHFFFAOYSA-N -1 3 331.734 3.827 20 0 EHADHM C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cccc2n[n-]nc21 ZINC000540963451 1035842715 /nfs/dbraw/zinc/84/27/15/1035842715.db2.gz DZEOVWWLAULPCC-VIFPVBQESA-N -1 3 349.221 3.626 20 0 EHADHM O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1cccc2n[n-]nc21 ZINC000540963442 1035842941 /nfs/dbraw/zinc/84/29/41/1035842941.db2.gz BIWYTABDZDDJTO-LJQANCHMSA-N -1 3 342.402 3.672 20 0 EHADHM O=S(=O)([N-]c1ccccc1F)c1ccc(F)c(Br)c1 ZINC000174649086 1036042525 /nfs/dbraw/zinc/04/25/25/1036042525.db2.gz JYNMPRUKIQDMNJ-UHFFFAOYSA-N -1 3 348.168 3.528 20 0 EHADHM COc1cccc(C(=O)Nc2cccc(CC(F)(F)F)c2)c1[O-] ZINC000174680580 1036051911 /nfs/dbraw/zinc/05/19/11/1036051911.db2.gz WYQNNZWRRJHNJT-UHFFFAOYSA-N -1 3 325.286 3.758 20 0 EHADHM Cc1cccnc1/C=C\C(=O)Nc1ccc(Br)cc1[O-] ZINC000492605693 1036061724 /nfs/dbraw/zinc/06/17/24/1036061724.db2.gz UCGWAMYRUUIZCX-SREVYHEPSA-N -1 3 333.185 3.510 20 0 EHADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)cc1O ZINC000174739482 1036063107 /nfs/dbraw/zinc/06/31/07/1036063107.db2.gz YJAHKVLZOLYPEF-UHFFFAOYSA-N -1 3 335.425 3.597 20 0 EHADHM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000464371558 1036386603 /nfs/dbraw/zinc/38/66/03/1036386603.db2.gz CFJSVGAGZFFSMX-ZCFIWIBFSA-N -1 3 336.162 3.613 20 0 EHADHM CSc1nc(NC(=O)CCCc2ccc(C(C)(C)C)cc2)n[n-]1 ZINC000589691321 1036594905 /nfs/dbraw/zinc/59/49/05/1036594905.db2.gz ACVWWDIZRCWHKQ-UHFFFAOYSA-N -1 3 332.473 3.786 20 0 EHADHM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000462343668 1036840770 /nfs/dbraw/zinc/84/07/70/1036840770.db2.gz SAYUCUFPMXFIDQ-IONNQARKSA-N -1 3 340.308 3.532 20 0 EHADHM CC1(/C=C\C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CCOCC1 ZINC000493390789 1037312735 /nfs/dbraw/zinc/31/27/35/1037312735.db2.gz QZROORJFBUDNNL-PLNGDYQASA-N -1 3 329.318 3.722 20 0 EHADHM O=C(NCc1ccc([O-])c(F)c1)c1cnc(Cc2ccccc2)s1 ZINC000088388634 1037355869 /nfs/dbraw/zinc/35/58/69/1037355869.db2.gz AZWMJPCVIQHETO-UHFFFAOYSA-N -1 3 342.395 3.509 20 0 EHADHM C[C@@H]1CCN(CCOc2c(Cl)cccc2Cl)[C@@H](C(=O)[O-])C1 ZINC000229304332 1037365479 /nfs/dbraw/zinc/36/54/79/1037365479.db2.gz PACNGNQDIUWMFP-ZWNOBZJWSA-N -1 3 332.227 3.557 20 0 EHADHM Cc1noc([C@H](C)SCc2cc(=O)[n-]c(-c3ccccc3)n2)n1 ZINC000591380819 1037380404 /nfs/dbraw/zinc/38/04/04/1037380404.db2.gz YZBXMMPQUCUBKV-JTQLQIEISA-N -1 3 328.397 3.535 20 0 EHADHM CN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)c1ccccc1 ZINC000007674288 1037531877 /nfs/dbraw/zinc/53/18/77/1037531877.db2.gz MAIHBZNRQDCOLV-UHFFFAOYSA-N -1 3 337.404 3.881 20 0 EHADHM COc1ccc([O-])c(C(=O)Nc2cccc(OC3CCCC3)c2)c1 ZINC000491520992 1037534342 /nfs/dbraw/zinc/53/43/42/1037534342.db2.gz JKVNYSBTYMQIKP-UHFFFAOYSA-N -1 3 327.380 3.975 20 0 EHADHM O=C(Nc1ccccc1N1CCCCCC1)c1cccc2n[n-]nc21 ZINC000183352984 1037944652 /nfs/dbraw/zinc/94/46/52/1037944652.db2.gz IJXDPDNMYCVLKQ-UHFFFAOYSA-N -1 3 335.411 3.591 20 0 EHADHM CC[C@H](CNC(=O)c1cc([O-])ccc1Cl)Oc1ccccc1F ZINC000431861688 1038490614 /nfs/dbraw/zinc/49/06/14/1038490614.db2.gz YWLLDDUGQARQMI-GFCCVEGCSA-N -1 3 337.778 3.772 20 0 EHADHM CSc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1 ZINC000538949249 1038610141 /nfs/dbraw/zinc/61/01/41/1038610141.db2.gz MYFASBJHGGNGCL-UHFFFAOYSA-N -1 3 335.450 3.534 20 0 EHADHM CSc1ccc([O-])c(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C)C2)c1 ZINC000667175673 1038617405 /nfs/dbraw/zinc/61/74/05/1038617405.db2.gz MYIZWWOUCBWBHS-UGSOOPFHSA-N -1 3 343.448 3.716 20 0 EHADHM O=S(=O)([N-][C@H]1CCCC(F)(F)C1)c1ccc(C(F)(F)F)s1 ZINC000462097713 1038756148 /nfs/dbraw/zinc/75/61/48/1038756148.db2.gz ACRURRAUYQFXIO-ZETCQYMHSA-N -1 3 349.346 3.623 20 0 EHADHM CCc1nc(C(C)C)ccc1CN[C@H](C(=O)[O-])c1ccc(OC)cc1 ZINC000905382370 1038839295 /nfs/dbraw/zinc/83/92/95/1038839295.db2.gz XUBDLCMXCSJCNK-IBGZPJMESA-N -1 3 342.439 3.692 20 0 EHADHM CCSc1cccc(-c2noc(-c3cc4c(cc3[O-])OCO4)n2)c1 ZINC000436784603 1038889003 /nfs/dbraw/zinc/88/90/03/1038889003.db2.gz MFFQXDFPDFZEGZ-UHFFFAOYSA-N -1 3 342.376 3.950 20 0 EHADHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000552070191 1038938996 /nfs/dbraw/zinc/93/89/96/1038938996.db2.gz CJOMNZTUXCWUCC-MRXNPFEDSA-N -1 3 327.380 3.699 20 0 EHADHM Cc1cccc(CN(Cc2ccccn2)C(=O)c2ccccc2[O-])c1 ZINC000155535391 1039002354 /nfs/dbraw/zinc/00/23/54/1039002354.db2.gz RYGNLLUTHSZNDB-UHFFFAOYSA-N -1 3 332.403 3.938 20 0 EHADHM Cc1cccc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c1[O-] ZINC000195644119 1039060002 /nfs/dbraw/zinc/06/00/02/1039060002.db2.gz RFVKCANHZDTIOV-MRXNPFEDSA-N -1 3 327.380 3.511 20 0 EHADHM Cc1noc([C@H](OC(=O)c2cccc(Cl)c2[O-])c2ccccc2)n1 ZINC001126831487 1039084070 /nfs/dbraw/zinc/08/40/70/1039084070.db2.gz URFNXLCZDUAYIO-OAHLLOKOSA-N -1 3 344.754 3.683 20 0 EHADHM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000488371151 1039127032 /nfs/dbraw/zinc/12/70/32/1039127032.db2.gz XHTGBTZCHDCOAF-VHSXEESVSA-N -1 3 338.333 3.752 20 0 EHADHM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000488371151 1039127036 /nfs/dbraw/zinc/12/70/36/1039127036.db2.gz XHTGBTZCHDCOAF-VHSXEESVSA-N -1 3 338.333 3.752 20 0 EHADHM CC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)c1[O-] ZINC000552287046 1039138900 /nfs/dbraw/zinc/13/89/00/1039138900.db2.gz GUKXMDODSKJTLC-KBPBESRZSA-N -1 3 331.318 3.615 20 0 EHADHM [O-]c1cc2c(cc1-c1nc(-c3ccc4ccccc4c3)no1)OCO2 ZINC000436883268 1039162791 /nfs/dbraw/zinc/16/27/91/1039162791.db2.gz CSAUDHZXORBFIZ-UHFFFAOYSA-N -1 3 332.315 3.991 20 0 EHADHM Cc1ccc(-c2cccnc2)cc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436901091 1039171590 /nfs/dbraw/zinc/17/15/90/1039171590.db2.gz PUGGYRBPTBZNRX-UHFFFAOYSA-N -1 3 348.358 3.744 20 0 EHADHM CC(C)[C@@H](C)N(C)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000905919755 1039185162 /nfs/dbraw/zinc/18/51/62/1039185162.db2.gz QQYSEMTUGDMQTJ-SNVBAGLBSA-N -1 3 327.450 3.607 20 0 EHADHM O=C(Nc1cccc(Oc2cnccn2)c1)c1cc([O-])ccc1Cl ZINC000431908232 1039213297 /nfs/dbraw/zinc/21/32/97/1039213297.db2.gz ZKXLKDGWSIHTME-UHFFFAOYSA-N -1 3 341.754 3.880 20 0 EHADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(Cl)c(OC)cc1OC ZINC000569070286 1039258236 /nfs/dbraw/zinc/25/82/36/1039258236.db2.gz XIZHSHGUBPVASD-SNVBAGLBSA-N -1 3 335.853 3.678 20 0 EHADHM C[C@@H](c1noc(-c2cc(=O)[n-]c(C3CC3)n2)n1)c1c(F)cccc1F ZINC000906100358 1039284710 /nfs/dbraw/zinc/28/47/10/1039284710.db2.gz CVPJOIIEHKUUGO-MRVPVSSYSA-N -1 3 344.321 3.540 20 0 EHADHM CC(F)(F)c1ccc(-c2noc(-c3cc(=O)[n-]c(C4CC4)n3)n2)cc1 ZINC000906115338 1039313673 /nfs/dbraw/zinc/31/36/73/1039313673.db2.gz JZKHCKOCXGXZSO-UHFFFAOYSA-N -1 3 344.321 3.888 20 0 EHADHM CCC[C@@H](C)N(C)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000906131256 1039331559 /nfs/dbraw/zinc/33/15/59/1039331559.db2.gz VLBMGPJQGOQRKF-SNVBAGLBSA-N -1 3 327.450 3.751 20 0 EHADHM CCCCn1ncc([N-]S(=O)(=O)CCc2ccccc2)c1C(C)C ZINC000480250292 1039355662 /nfs/dbraw/zinc/35/56/62/1039355662.db2.gz REMJONRIIGKWGF-UHFFFAOYSA-N -1 3 349.500 3.791 20 0 EHADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(C2CCCC2)cc1 ZINC000485643417 1039374166 /nfs/dbraw/zinc/37/41/66/1039374166.db2.gz LDJCXSZLVSEYEN-UHFFFAOYSA-N -1 3 333.395 3.777 20 0 EHADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(C2CCCC2)cc1 ZINC000485643417 1039374180 /nfs/dbraw/zinc/37/41/80/1039374180.db2.gz LDJCXSZLVSEYEN-UHFFFAOYSA-N -1 3 333.395 3.777 20 0 EHADHM CN(CCC(C)(C)C)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000911525680 1039403651 /nfs/dbraw/zinc/40/36/51/1039403651.db2.gz TZTPKZRDQMDELG-UHFFFAOYSA-N -1 3 341.477 3.998 20 0 EHADHM O=C(N=c1cc2ccccn2[n-]1)N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000554526402 1039449178 /nfs/dbraw/zinc/44/91/78/1039449178.db2.gz TWDGFJPIVRTZGE-AWEZNQCLSA-N -1 3 348.328 3.571 20 0 EHADHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000488917082 1039470967 /nfs/dbraw/zinc/47/09/67/1039470967.db2.gz RNRJALQRYWAPCE-MWLCHTKSSA-N -1 3 339.354 3.702 20 0 EHADHM COc1cc(C)ccc1[N-]S(=O)(=O)C1=Cc2ccccc2OCC1 ZINC000186961282 1039502729 /nfs/dbraw/zinc/50/27/29/1039502729.db2.gz BSLZIPZUUVVHMX-UHFFFAOYSA-N -1 3 345.420 3.569 20 0 EHADHM CC(C)[C@@H](CC(F)(F)F)NCc1ncc(Br)cc1[O-] ZINC000893889706 1039805736 /nfs/dbraw/zinc/80/57/36/1039805736.db2.gz CKBRHAHPBCNPIJ-SECBINFHSA-N -1 3 341.171 3.616 20 0 EHADHM O=C(Nc1cnn([C@H]2CCCCO2)c1)c1cc([O-])c2ccccc2c1 ZINC000912563557 1039982871 /nfs/dbraw/zinc/98/28/71/1039982871.db2.gz RCIMXZKCCOWRGV-GOSISDBHSA-N -1 3 337.379 3.693 20 0 EHADHM Cc1ccc(-c2noc(-c3cc(Cl)n[n-]3)n2)cc1Br ZINC001213498764 1039983207 /nfs/dbraw/zinc/98/32/07/1039983207.db2.gz UWFNERDEFCNESI-UHFFFAOYSA-N -1 3 339.580 3.851 20 0 EHADHM CC(C)(CCCNCc1cccc(F)c1Br)C(=O)[O-] ZINC000417553570 1039994641 /nfs/dbraw/zinc/99/46/41/1039994641.db2.gz AWSJDNLWQJMXCS-UHFFFAOYSA-N -1 3 332.213 3.569 20 0 EHADHM Cc1ccc(CN[C@@]2(C(=O)[O-])CCOc3ccccc32)cc1Cl ZINC000417573765 1040009234 /nfs/dbraw/zinc/00/92/34/1040009234.db2.gz YDUVBVQEWSTZKP-SFHVURJKSA-N -1 3 331.799 3.501 20 0 EHADHM CC(C)=CCSC[C@@H](NCc1cc(Cl)ccc1F)C(=O)[O-] ZINC000417632179 1040095218 /nfs/dbraw/zinc/09/52/18/1040095218.db2.gz WMMTWIKBOBVAQO-CQSZACIVSA-N -1 3 331.840 3.721 20 0 EHADHM COc1cccc(C(F)(F)C(=O)[N-][C@H](C)c2ccc(Cl)cn2)c1 ZINC000907579706 1040101248 /nfs/dbraw/zinc/10/12/48/1040101248.db2.gz XQJHABYGDOCDOH-SNVBAGLBSA-N -1 3 340.757 3.713 20 0 EHADHM Cc1ccc(CN2CCCC[C@H]2CC(=O)[O-])cc1Br ZINC000097902052 1040328690 /nfs/dbraw/zinc/32/86/90/1040328690.db2.gz AXHWKIXKFZDDPY-ZDUSSCGKSA-N -1 3 326.234 3.587 20 0 EHADHM O=C([O-])[C@@H]1CCN(Cc2csc(-c3ccsc3)n2)[C@H]2CCC[C@H]21 ZINC000629373861 1040383024 /nfs/dbraw/zinc/38/30/24/1040383024.db2.gz NCWDEOUZLCQMRX-ZNMIVQPWSA-N -1 3 348.493 3.947 20 0 EHADHM Cc1cc(S(=O)(=O)[N-][C@H](c2ccncc2)C2CC2)sc1Cl ZINC000908389907 1040427891 /nfs/dbraw/zinc/42/78/91/1040427891.db2.gz KUNTZGJXJPTJMT-ZDUSSCGKSA-N -1 3 342.873 3.535 20 0 EHADHM CC(C)c1cc(C(=O)[N-]c2cc(F)c(OC(F)F)cc2F)on1 ZINC000490273353 1040451301 /nfs/dbraw/zinc/45/13/01/1040451301.db2.gz QQWQUIBAHBOEFP-UHFFFAOYSA-N -1 3 332.253 3.930 20 0 EHADHM CCO[C@@H]1C[C@H](NCc2cccc([O-])c2Cl)[C@H]1Oc1ccccc1 ZINC000512672051 1040481417 /nfs/dbraw/zinc/48/14/17/1040481417.db2.gz FNDPTVKECMDZNK-KVSKMBFKSA-N -1 3 347.842 3.760 20 0 EHADHM O=C(/C=C/c1ccc(SC(F)F)cc1)[N-]OCC(F)(F)F 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20 0 EHADHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2C)cc1 ZINC000511688486 1041464493 /nfs/dbraw/zinc/46/44/93/1041464493.db2.gz RURIKTOGTTWJGW-CQSZACIVSA-N -1 3 349.452 3.982 20 0 EHADHM CCC(=O)Nc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000468818039 1041632353 /nfs/dbraw/zinc/63/23/53/1041632353.db2.gz CXSHURDXZUGEND-UHFFFAOYSA-N -1 3 344.386 3.841 20 0 EHADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc(Cl)cc2Cl)n1 ZINC000660744589 1041796165 /nfs/dbraw/zinc/79/61/65/1041796165.db2.gz CPVSIZDXHHUMRY-UHFFFAOYSA-N -1 3 326.227 3.822 20 0 EHADHM CN(CC[C@H](C(=O)[O-])c1ccccc1)Cc1nc2ccccc2s1 ZINC000652380640 1042436232 /nfs/dbraw/zinc/43/62/32/1042436232.db2.gz CVQYIKVKZBZDHU-HNNXBMFYSA-N -1 3 340.448 3.987 20 0 EHADHM Cc1ccc(-c2csc(CN3CCCC[C@H]3CC(=O)[O-])n2)cc1 ZINC000652463546 1042489094 /nfs/dbraw/zinc/48/90/94/1042489094.db2.gz KFAPCBDVJDMPHW-HNNXBMFYSA-N -1 3 330.453 3.948 20 0 EHADHM C[C@@H](c1ccccc1Cl)N(C)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000093929865 1042594633 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O=C(N[C@H]1CCCC[C@H]1c1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000512256959 1044431636 /nfs/dbraw/zinc/43/16/36/1044431636.db2.gz DNLXTZOSLWBHGR-WMZOPIPTSA-N -1 3 346.430 3.984 20 0 EHADHM CCC(C)(C)c1ccc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000512264231 1044447594 /nfs/dbraw/zinc/44/75/94/1044447594.db2.gz BWUHTYKBTNHJPH-UHFFFAOYSA-N -1 3 335.411 3.807 20 0 EHADHM Cc1oc(-c2ccco2)nc1CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000153522536 1125514312 /nfs/dbraw/zinc/51/43/12/1125514312.db2.gz CVUWTQGYBLDNAW-UHFFFAOYSA-N -1 3 332.743 3.783 20 0 EHADHM CCc1ccc([O-])c(C(=O)Nc2ccc(OC(F)F)cc2F)c1 ZINC000622585768 1126724919 /nfs/dbraw/zinc/72/49/19/1126724919.db2.gz JHICLOVCBUDGBA-UHFFFAOYSA-N -1 3 325.286 3.947 20 0 EHADHM Cc1ncccc1N(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000622624928 1126733043 /nfs/dbraw/zinc/73/30/43/1126733043.db2.gz FRGAOHGXQYIXLP-UHFFFAOYSA-N -1 3 332.403 3.963 20 0 EHADHM O=C(Nc1cc(F)ccc1[O-])c1cnn(-c2ccccc2)c1C1CC1 ZINC000174902545 1126862896 /nfs/dbraw/zinc/86/28/96/1126862896.db2.gz UMMCPFCOHLUAJQ-UHFFFAOYSA-N -1 3 337.354 3.847 20 0 EHADHM Cc1cc(=O)[n-]c([C@H](C)N(C)Cc2cccc(OC(F)(F)F)c2)n1 ZINC000192622695 1126924838 /nfs/dbraw/zinc/92/48/38/1126924838.db2.gz ODVFGBIMFFFENF-NSHDSACASA-N -1 3 341.333 3.582 20 0 EHADHM O=C(Nc1ccc(Br)cc1[O-])c1nccc2ccccc21 ZINC000623475418 1126963671 /nfs/dbraw/zinc/96/36/71/1126963671.db2.gz XAAHVUMKJJZUNX-UHFFFAOYSA-N -1 3 343.180 3.955 20 0 EHADHM Cc1cc(C(=O)Nc2cccc([O-])c2F)c2c(n1)onc2C(C)C ZINC000179155832 1127046908 /nfs/dbraw/zinc/04/69/08/1127046908.db2.gz FJXYNNZSAUVRHB-UHFFFAOYSA-N -1 3 329.331 3.752 20 0 EHADHM Cc1cccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1F ZINC000180018581 1127110393 /nfs/dbraw/zinc/11/03/93/1127110393.db2.gz CAPJXWFFCPDIBR-UHFFFAOYSA-N -1 3 334.347 3.622 20 0 EHADHM Cc1nn(Cc2ccccc2)c(Cl)c1C=Cc1nccc(=O)[n-]1 ZINC000764440896 1127494345 /nfs/dbraw/zinc/49/43/45/1127494345.db2.gz CFILCKNOJMZZKO-FPLPWBNLSA-N -1 3 326.787 3.559 20 0 EHADHM CCCCc1nc(NC(=O)C2CCC=CCC2)c(C(=O)OCC)[n-]1 ZINC001127965265 1127757198 /nfs/dbraw/zinc/75/71/98/1127757198.db2.gz PLBMXHYJZAJDQW-UHFFFAOYSA-N -1 3 333.432 3.614 20 0 EHADHM Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)[N-]c1nncs1 ZINC000031273328 1127832145 /nfs/dbraw/zinc/83/21/45/1127832145.db2.gz YDOHLRNBACPQPS-UHFFFAOYSA-N -1 3 344.343 3.727 20 0 EHADHM CCCCOc1ccc(CNC(=O)c2ccccc2[O-])cc1OC ZINC000032749752 1127857494 /nfs/dbraw/zinc/85/74/94/1127857494.db2.gz OCNGGTHWFYITRR-UHFFFAOYSA-N -1 3 329.396 3.510 20 0 EHADHM C[C@H](CC(=O)c1ccccc1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000472322115 1127931515 /nfs/dbraw/zinc/93/15/15/1127931515.db2.gz BKSCZTILYAXVCR-CQSZACIVSA-N -1 3 333.387 3.937 20 0 EHADHM Cc1ccc(CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C(C)C)s1 ZINC000057444330 1128049729 /nfs/dbraw/zinc/04/97/29/1128049729.db2.gz JYNFKPXVYDBNDA-UHFFFAOYSA-N -1 3 340.448 3.949 20 0 EHADHM O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1ccccc1[O-] ZINC000058770557 1128079379 /nfs/dbraw/zinc/07/93/79/1128079379.db2.gz FMSCNIUGQANOID-OAHLLOKOSA-N -1 3 333.334 3.801 20 0 EHADHM Cc1ccc(C(=O)N[C@@H](C)Cc2nc3ccccc3s2)c([O-])c1 ZINC000063534883 1128147084 /nfs/dbraw/zinc/14/70/84/1128147084.db2.gz IGOBRNVITTZAME-LBPRGKRZSA-N -1 3 326.421 3.671 20 0 EHADHM CCC(=O)Nc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000065619042 1128196796 /nfs/dbraw/zinc/19/67/96/1128196796.db2.gz WOQFBQAYSXOMMJ-UHFFFAOYSA-N -1 3 338.407 3.872 20 0 EHADHM COC[C@@H](Cc1ccccc1)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000473229098 1128225977 /nfs/dbraw/zinc/22/59/77/1128225977.db2.gz BQIUCLWNVCOLDA-LJQANCHMSA-N -1 3 349.430 3.875 20 0 EHADHM C[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)C(C)(C)C ZINC000765778040 1128357701 /nfs/dbraw/zinc/35/77/01/1128357701.db2.gz DIDMTXHHVGXZBK-SNVBAGLBSA-N -1 3 343.265 3.636 20 0 EHADHM Cc1cccc([O-])c1C(=O)N1CCC(OCCc2ccccc2)CC1 ZINC000624717427 1128487859 /nfs/dbraw/zinc/48/78/59/1128487859.db2.gz SXJLEXILELEKAW-UHFFFAOYSA-N -1 3 339.435 3.565 20 0 EHADHM COc1cccc(F)c1[C@H](C)[N-]C(=O)C(F)(F)c1ccccc1F ZINC000765833285 1128530649 /nfs/dbraw/zinc/53/06/49/1128530649.db2.gz GGDKIZMSRICGAN-JTQLQIEISA-N -1 3 341.304 3.943 20 0 EHADHM CN(C[C@@H]1OCCc2ccccc21)C(=O)c1cc([O-])c2ccccc2c1 ZINC000353742443 1128647557 /nfs/dbraw/zinc/64/75/57/1128647557.db2.gz VRVPHAAUAOJXPQ-NRFANRHFSA-N -1 3 347.414 3.931 20 0 EHADHM CC(C)N(Cc1ccccc1F)C(=O)NCc1ccc([O-])c(F)c1 ZINC000265727832 1128651797 /nfs/dbraw/zinc/65/17/97/1128651797.db2.gz ARYWZYOPVBKUBL-UHFFFAOYSA-N -1 3 334.366 3.791 20 0 EHADHM CCC[C@H]1CCc2nc(NC(=O)c3cccc4n[n-]nc43)sc2C1 ZINC000542821463 1128665140 /nfs/dbraw/zinc/66/51/40/1128665140.db2.gz RPQIUGQWJKUUIQ-JTQLQIEISA-N -1 3 341.440 3.572 20 0 EHADHM O=C(NCc1ccc2c(c1)OCCCO2)c1cc([O-])c2ccccc2c1 ZINC000354001764 1128679623 /nfs/dbraw/zinc/67/96/23/1128679623.db2.gz KCCVZCHVOALUPD-UHFFFAOYSA-N -1 3 349.386 3.637 20 0 EHADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1OC ZINC000007050715 1128845949 /nfs/dbraw/zinc/84/59/49/1128845949.db2.gz YANVMIYNANLHIV-UHFFFAOYSA-N -1 3 349.452 3.936 20 0 EHADHM CCc1ccc(C(=O)NC[C@@H]2CC=CC[C@H]2C(F)(F)F)c([O-])c1 ZINC001648945927 1120245223 /nfs/dbraw/zinc/24/52/23/1120245223.db2.gz HFVGBQCCPUVJNG-GXTWGEPZSA-N -1 3 327.346 3.829 20 0 EHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3C[C@@]3(C)C(C)C)c2)n1 ZINC000185649020 1120423762 /nfs/dbraw/zinc/42/37/62/1120423762.db2.gz AWAZZPKJZANIHE-JXFKEZNVSA-N -1 3 339.439 3.620 20 0 EHADHM CC1(C)CN(C(=O)NCc2ccc([O-])c(F)c2)CC[C@H]1C(F)(F)F ZINC000189181320 1120549151 /nfs/dbraw/zinc/54/91/51/1120549151.db2.gz PBPZTQIIFPGCDH-CYBMUJFWSA-N -1 3 348.340 3.651 20 0 EHADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@@H]1C1CCOCC1 ZINC000355657698 1128925811 /nfs/dbraw/zinc/92/58/11/1128925811.db2.gz TUOMCIQNRPLUDN-GOSISDBHSA-N -1 3 325.408 3.577 20 0 EHADHM CCc1ccc([O-])c(C(=O)N2CC3(CCOCC3)c3ccccc32)c1 ZINC000189832617 1120614032 /nfs/dbraw/zinc/61/40/32/1120614032.db2.gz MSWDIHZKSSXNHL-UHFFFAOYSA-N -1 3 337.419 3.663 20 0 EHADHM COc1cccc(-c2cc(C(=O)[N-]c3cccc4ocnc43)on2)c1 ZINC001128193711 1128947639 /nfs/dbraw/zinc/94/76/39/1128947639.db2.gz UOEJBBOFQQAIHC-UHFFFAOYSA-N -1 3 335.319 3.744 20 0 EHADHM COCCN(C(=O)c1cc([O-])c2ccccc2c1)[C@@H]1CC[C@H](C)C1 ZINC000356164404 1128953639 /nfs/dbraw/zinc/95/36/39/1128953639.db2.gz HAQLTXZSTKOHDY-WMLDXEAASA-N -1 3 327.424 3.823 20 0 EHADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000914778831 1120979696 /nfs/dbraw/zinc/97/96/96/1120979696.db2.gz HMROOPWLPCNMGV-CQSZACIVSA-N -1 3 331.799 3.729 20 0 EHADHM CC(C)[C@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)N1CCCC[C@@H]1C ZINC000914890608 1121039496 /nfs/dbraw/zinc/03/94/96/1121039496.db2.gz BXCRHJKZWYCNND-WFASDCNBSA-N -1 3 348.468 3.812 20 0 EHADHM CC(C)c1ccc2cc(C(=O)Nc3n[n-]c(-c4ccco4)n3)[nH]c2c1 ZINC000915259167 1121286634 /nfs/dbraw/zinc/28/66/34/1121286634.db2.gz URLUIBRPLLPJLH-UHFFFAOYSA-N -1 3 335.367 3.922 20 0 EHADHM O=c1[n-]c(SC2CCSCC2)nc2c1cnn2-c1ccccc1 ZINC000915418724 1121394153 /nfs/dbraw/zinc/39/41/53/1121394153.db2.gz MGVVLLSBBNKZHH-UHFFFAOYSA-N -1 3 344.465 3.509 20 0 EHADHM O=C(Nc1ccc2nnc(C3CCC3)n2c1)c1cc([O-])ccc1Cl ZINC000347463884 1121856238 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ZINC000825304798 1137172397 /nfs/dbraw/zinc/17/23/97/1137172397.db2.gz KCJBFWAAAVHZSF-UHFFFAOYSA-N -1 3 329.444 3.593 20 0 EHADHM O=C([N-][C@@H]1CCc2ccc(Cl)cc21)C(F)(F)c1nccs1 ZINC000863635391 1137195669 /nfs/dbraw/zinc/19/56/69/1137195669.db2.gz JMTXTVPQWDEGIT-LLVKDONJSA-N -1 3 328.771 3.692 20 0 EHADHM CC(C)c1c[n-]c(S(=O)(=O)Cc2cc3ccccc3nc2Cl)n1 ZINC000864441318 1137227594 /nfs/dbraw/zinc/22/75/94/1137227594.db2.gz GXPCIVIHWXWAOM-UHFFFAOYSA-N -1 3 349.843 3.709 20 0 EHADHM CCOc1cc(F)cc(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000864510098 1137231050 /nfs/dbraw/zinc/23/10/50/1137231050.db2.gz RUXOHJLXZBMELD-UGSOOPFHSA-N -1 3 331.387 3.776 20 0 EHADHM COc1ccc(CN[C@@H](CC(=O)[O-])c2ccncc2)cc1C(C)(C)C ZINC000864516835 1137231723 /nfs/dbraw/zinc/23/17/23/1137231723.db2.gz RFZUQHRWIQAAET-KRWDZBQOSA-N -1 3 342.439 3.693 20 0 EHADHM CC[C@@H](C)CO[N-]C(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000794854267 1137299085 /nfs/dbraw/zinc/29/90/85/1137299085.db2.gz QOHDSQMGCUSJKT-SNVBAGLBSA-N -1 3 339.233 3.567 20 0 EHADHM Nc1ccc(-c2ccc(NC(=O)Cc3ccc([O-])c(F)c3)cc2)cc1 ZINC001144629110 1137320526 /nfs/dbraw/zinc/32/05/26/1137320526.db2.gz UPFSRBMNEOUTRL-UHFFFAOYSA-N -1 3 336.366 3.962 20 0 EHADHM Cc1nc2ccccc2c(C(=O)NC2CC3(C2)CC(F)(F)C3)c1[O-] ZINC001149206644 1137324602 /nfs/dbraw/zinc/32/46/02/1137324602.db2.gz SOQCTWASCVVJAN-UHFFFAOYSA-N -1 3 332.350 3.557 20 0 EHADHM CCC[C@@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc(Cl)cc1 ZINC000866628927 1137371241 /nfs/dbraw/zinc/37/12/41/1137371241.db2.gz UOQJFLRHIJNMRR-OAHLLOKOSA-N -1 3 347.846 3.539 20 0 EHADHM CCc1ccc(C(=O)NC[C@H](OC2CCCC2)C(F)(F)F)c([O-])c1 ZINC001146518852 1137391159 /nfs/dbraw/zinc/39/11/59/1137391159.db2.gz WLUMMFZKGYNBIB-HNNXBMFYSA-N -1 3 345.361 3.575 20 0 EHADHM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001146668659 1137392921 /nfs/dbraw/zinc/39/29/21/1137392921.db2.gz BAZMYCTZEFAHBZ-JHJVBQTASA-N -1 3 344.842 3.880 20 0 EHADHM COc1ccccc1CO[N-]C(=O)CCc1ccc(C(F)F)cc1 ZINC000868042854 1137395123 /nfs/dbraw/zinc/39/51/23/1137395123.db2.gz ZNWZSHVECFXWJY-UHFFFAOYSA-N -1 3 335.350 3.813 20 0 EHADHM COc1cccc(C(C)(C)C(=O)Nc2cccc(C(C)=O)c2[O-])c1 ZINC000868350651 1137407152 /nfs/dbraw/zinc/40/71/52/1137407152.db2.gz ZGCYHYOAYNFHRQ-UHFFFAOYSA-N -1 3 327.380 3.520 20 0 EHADHM Cc1ccc(C(=O)NCCC(C(F)(F)F)C(F)(F)F)c([O-])c1 ZINC001148507143 1137427356 /nfs/dbraw/zinc/42/73/56/1137427356.db2.gz BAXMVHVXZZQCCJ-UHFFFAOYSA-N -1 3 329.240 3.561 20 0 EHADHM O=Cc1ccc(F)c(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)c1 ZINC001148549883 1137427574 /nfs/dbraw/zinc/42/75/74/1137427574.db2.gz WYUYNBHTWOIBCK-XQRVVYSFSA-N -1 3 343.339 3.505 20 0 EHADHM CC[C@@H](NC(=O)c1ccc([O-])c(C(C)=O)c1)c1ccc(F)c(F)c1 ZINC001148670208 1137431487 /nfs/dbraw/zinc/43/14/87/1137431487.db2.gz HPUJXJFTSLSSMC-MRXNPFEDSA-N -1 3 333.334 3.754 20 0 EHADHM Cc1ccc(Oc2cccc(NC(=O)c3cc(=O)[n-]cn3)c2)c(C)c1 ZINC001171949514 1137522649 /nfs/dbraw/zinc/52/26/49/1137522649.db2.gz HCWDNDWZYUBQNH-UHFFFAOYSA-N -1 3 335.363 3.844 20 0 EHADHM O=C(Cc1cccc(OC(F)(F)F)c1)[N-]OCCCC(F)(F)F ZINC000871213827 1137527593 /nfs/dbraw/zinc/52/75/93/1137527593.db2.gz ZZTDQSRZOITOBE-UHFFFAOYSA-N -1 3 345.239 3.518 20 0 EHADHM C/C=C/COc1cccc(CC(=O)[N-]OCCCC(F)(F)F)c1 ZINC000871215955 1137527913 /nfs/dbraw/zinc/52/79/13/1137527913.db2.gz KDCNKXYJBBYMSR-NSCUHMNNSA-N -1 3 331.334 3.574 20 0 EHADHM O=C([N-]c1cc(F)c(F)c(F)c1F)c1csc([C@@H]2CCCO2)n1 ZINC000871268641 1137530932 /nfs/dbraw/zinc/53/09/32/1137530932.db2.gz NAJVJZWOKKUAIQ-VIFPVBQESA-N -1 3 346.305 3.803 20 0 EHADHM FC(F)(F)c1nn[n-]c1-c1nc(-c2ccc3ccccc3c2)no1 ZINC001212652772 1137548851 /nfs/dbraw/zinc/54/88/51/1137548851.db2.gz HBCWKQLDHCFSDL-UHFFFAOYSA-N -1 3 331.257 3.694 20 0 EHADHM FC(F)(F)c1[n-]nnc1-c1nc(-c2ccc3ccccc3c2)no1 ZINC001212652772 1137548853 /nfs/dbraw/zinc/54/88/53/1137548853.db2.gz HBCWKQLDHCFSDL-UHFFFAOYSA-N -1 3 331.257 3.694 20 0 EHADHM COc1ccc(CCC(=O)[N-]OCc2nc(C(C)(C)C)cs2)cc1 ZINC000871797884 1137558580 /nfs/dbraw/zinc/55/85/80/1137558580.db2.gz HTOLDCHISBCJKS-UHFFFAOYSA-N -1 3 348.468 3.630 20 0 EHADHM C[C@@H](N[C@@H]1CCCN(C2CCCCC2)C1=O)c1cccc([O-])c1F ZINC000872065298 1137569199 /nfs/dbraw/zinc/56/91/99/1137569199.db2.gz XWVCWWAIHCJBKS-CZUORRHYSA-N -1 3 334.435 3.506 20 0 EHADHM C[C@@H](N[C@H](CO)c1cccc(C(F)(F)F)c1)c1cccc([O-])c1F ZINC000872093442 1137570914 /nfs/dbraw/zinc/57/09/14/1137570914.db2.gz VVXUKOPGWXXTML-QMTHXVAHSA-N -1 3 343.320 3.934 20 0 EHADHM O=C([O-])c1csc(CN2CCC(OCCc3ccccc3)CC2)c1 ZINC000872156562 1137574319 /nfs/dbraw/zinc/57/43/19/1137574319.db2.gz CIEPZSAKUDASFS-UHFFFAOYSA-N -1 3 345.464 3.670 20 0 EHADHM CCCOc1ccc(CNCc2ccccc2C(=O)[O-])cc1OCC ZINC000874044935 1137609685 /nfs/dbraw/zinc/60/96/85/1137609685.db2.gz LOYFJSCDLGZLSN-UHFFFAOYSA-N -1 3 343.423 3.862 20 0 EHADHM CC(=O)c1cc(F)c([N-]C(=O)c2cnn(C(C)C)c2Cl)c(F)c1 ZINC000875501144 1137634289 /nfs/dbraw/zinc/63/42/89/1137634289.db2.gz ZOSJHJZDRTZNMM-UHFFFAOYSA-N -1 3 341.745 3.851 20 0 EHADHM [O-]c1ccccc1-c1nnc(CN2CCC[C@@H]2c2cccs2)o1 ZINC000877902918 1137694856 /nfs/dbraw/zinc/69/48/56/1137694856.db2.gz IQVFUSCLKVCMJX-CYBMUJFWSA-N -1 3 327.409 3.841 20 0 EHADHM C[C@H]1c2ccc(F)cc2CCN1Cc1nnc(-c2ccccc2[O-])o1 ZINC000878120613 1137703263 /nfs/dbraw/zinc/70/32/63/1137703263.db2.gz JZRWNCSGYRYURC-LBPRGKRZSA-N -1 3 339.370 3.701 20 0 EHADHM Cc1ccc(C)c(NC(=O)COC(=O)c2cc3ccsc3[n-]2)c1 ZINC000023345684 1137748791 /nfs/dbraw/zinc/74/87/91/1137748791.db2.gz HTTGGLTVTYUIFR-UHFFFAOYSA-N -1 3 328.393 3.642 20 0 EHADHM O=C1[N-]C(=O)/C(=C/c2ccc(-c3ccncc3)cc2F)c2ccccc21 ZINC000130804075 1137842404 /nfs/dbraw/zinc/84/24/04/1137842404.db2.gz QTTAIOIPQZTTGN-WOJGMQOQSA-N -1 3 344.345 3.698 20 0 EHADHM CC(C)c1ccccc1NC(=O)[C@H](C)[S@](=O)c1ccc([O-])cc1 ZINC000108085544 1137888682 /nfs/dbraw/zinc/88/86/82/1137888682.db2.gz IDOJGVXPSLOIDR-ZAMGYDSWSA-N -1 3 331.437 3.650 20 0 EHADHM Cc1cccc(C)c1NC(=O)CCC[S@@](=O)c1ccc([O-])cc1 ZINC000108086703 1137888690 /nfs/dbraw/zinc/88/86/90/1137888690.db2.gz CNPUYARKVVLZQI-QHCPKHFHSA-N -1 3 331.437 3.536 20 0 EHADHM C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1ccccc1[O-] ZINC000110515043 1137901600 /nfs/dbraw/zinc/90/16/00/1137901600.db2.gz CXCUUFOFISJZBB-YVEFUNNKSA-N -1 3 331.799 3.648 20 0 EHADHM CC(C)c1nc([C@H]2CCCN2C(=O)c2ccc(C(C)C)cc2[O-])no1 ZINC000331852780 1137923033 /nfs/dbraw/zinc/92/30/33/1137923033.db2.gz RRDHIGUBAFWPQQ-OAHLLOKOSA-N -1 3 343.427 3.999 20 0 EHADHM CC(=O)N(C)c1ccccc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000332649454 1137950114 /nfs/dbraw/zinc/95/01/14/1137950114.db2.gz YXPISAFOYSRUKB-UHFFFAOYSA-N -1 3 338.407 3.506 20 0 EHADHM CCC[C@H](CC(C)C)C(=O)OCc1nnc(-c2ccccc2[O-])o1 ZINC000884540526 1137962564 /nfs/dbraw/zinc/96/25/64/1137962564.db2.gz GBWRFPYRUHXHSL-CYBMUJFWSA-N -1 3 332.400 3.948 20 0 EHADHM O=C(OCc1nnc(-c2ccccc2[O-])o1)[C@H]1CCCC[C@@H]1C1CC1 ZINC000884561756 1137963158 /nfs/dbraw/zinc/96/31/58/1137963158.db2.gz JMTDAMMBDCULQV-KGLIPLIRSA-N -1 3 342.395 3.702 20 0 EHADHM O=C(OCc1nnc(-c2ccccc2[O-])o1)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000884585803 1137963815 /nfs/dbraw/zinc/96/38/15/1137963815.db2.gz USLRUOJCSZHYAE-LAQFHYBYSA-N -1 3 342.395 3.702 20 0 EHADHM CC1(C)C[C@@H](c2ccccc2)CN1C(=O)c1nnc2ccccc2c1[O-] ZINC000885238281 1137990744 /nfs/dbraw/zinc/99/07/44/1137990744.db2.gz ZKRXHDSRVJHFEH-OAHLLOKOSA-N -1 3 347.418 3.744 20 0 EHADHM CC(C)[C@@H](C(=O)Nc1cc(F)c([O-])cc1Cl)N1CCCCC1 ZINC000885675042 1138017821 /nfs/dbraw/zinc/01/78/21/1138017821.db2.gz ZZQAHWRALJECMB-HNNXBMFYSA-N -1 3 328.815 3.634 20 0 EHADHM O=C(NCC[C@@H]1CCC2(CCC2)O1)c1cc2sccc2c([O-])c1 ZINC000886053871 1138035816 /nfs/dbraw/zinc/03/58/16/1138035816.db2.gz RDWPYRPTQRNYIL-ZDUSSCGKSA-N -1 3 331.437 3.829 20 0 EHADHM COC(=O)c1cc(NC(=O)c2cc3sccc3c([O-])c2)ccc1C ZINC001137232979 1138182293 /nfs/dbraw/zinc/18/22/93/1138182293.db2.gz NGFNBBRQRMNPNP-UHFFFAOYSA-N -1 3 341.388 3.954 20 0 EHADHM Cc1ccc(C(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccco2)c([O-])c1 ZINC000092603923 1138230222 /nfs/dbraw/zinc/23/02/22/1138230222.db2.gz DEHWIGWLNSNVJA-MAUKXSAKSA-N -1 3 343.423 3.802 20 0 EHADHM Cc1ccc(C(=O)Nc2ccccc2NC(=O)N2CCCC2)c([O-])c1 ZINC000094015818 1138243492 /nfs/dbraw/zinc/24/34/92/1138243492.db2.gz OYTKUWUUCCJXAV-UHFFFAOYSA-N -1 3 339.395 3.581 20 0 EHADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2ccccc2C)c1 ZINC000121907221 1138252000 /nfs/dbraw/zinc/25/20/00/1138252000.db2.gz BZOWCXYSAWMVGQ-GOSISDBHSA-N -1 3 338.407 3.636 20 0 EHADHM CCc1cc(=O)[n-]c(CS[C@@H](C)C(=O)Nc2c(C)cccc2C)n1 ZINC000125696055 1138314532 /nfs/dbraw/zinc/31/45/32/1138314532.db2.gz AUXOQPHIIUHPKF-ZDUSSCGKSA-N -1 3 345.468 3.622 20 0 EHADHM O=C(c1ccccc1[O-])N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000128068946 1138379577 /nfs/dbraw/zinc/37/95/77/1138379577.db2.gz JEXGYKDALMOPHZ-CYBMUJFWSA-N -1 3 342.464 3.747 20 0 EHADHM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@@H](C1CC1)N1CCCC1 ZINC000128559297 1138392742 /nfs/dbraw/zinc/39/27/42/1138392742.db2.gz OQCDBTPESZVTTA-CYBMUJFWSA-N -1 3 329.227 3.512 20 0 EHADHM O=C(c1ccccc1[O-])N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000264610860 1138575940 /nfs/dbraw/zinc/57/59/40/1138575940.db2.gz NLXUSUVBNDLJNM-GOSISDBHSA-N -1 3 345.826 3.631 20 0 EHADHM COc1ccc2[nH]cc(CC(=O)Nc3cc(Cl)ccc3[O-])c2c1 ZINC000337521213 1138593686 /nfs/dbraw/zinc/59/36/86/1138593686.db2.gz PMACFGRNRDZOBA-UHFFFAOYSA-N -1 3 330.771 3.717 20 0 EHADHM CCc1csc(CC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)n1 ZINC000338222813 1138792755 /nfs/dbraw/zinc/79/27/55/1138792755.db2.gz MDXVVADNKQLGJG-UHFFFAOYSA-N -1 3 330.331 3.611 20 0 EHADHM C[C@H](O)C[C@H]1CCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000179949636 1139795220 /nfs/dbraw/zinc/79/52/20/1139795220.db2.gz YCKQXYSGNSFWLX-LSDHHAIUSA-N -1 3 341.407 3.560 20 0 EHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)[C@@H](C)CC)c2)n1 ZINC000183177043 1140018617 /nfs/dbraw/zinc/01/86/17/1140018617.db2.gz MLRPHPQTJFHNII-STQMWFEESA-N -1 3 327.428 3.620 20 0 EHADHM CC(C)(C)OCc1cc(C(=O)[N-]c2ccc(F)c(F)c2F)no1 ZINC000184616884 1140111502 /nfs/dbraw/zinc/11/15/02/1140111502.db2.gz QXBZZMOVUUFDAT-UHFFFAOYSA-N -1 3 328.290 3.659 20 0 EHADHM C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccccc1[O-] ZINC000187081139 1140236862 /nfs/dbraw/zinc/23/68/62/1140236862.db2.gz KPHXIWCLKRUBQP-PXAZEXFGSA-N -1 3 331.799 3.648 20 0 EHADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](C)c2ccc(-c3cccnc3)cc2)n1 ZINC000192762106 1140549013 /nfs/dbraw/zinc/54/90/13/1140549013.db2.gz DLNPJBHBNBXEJF-CABCVRRESA-N -1 3 334.423 3.964 20 0 EHADHM Cc1cccnc1C(F)(F)C(=O)[N-]Cc1ccc(C(F)(F)F)cc1 ZINC000195317373 1140636603 /nfs/dbraw/zinc/63/66/03/1140636603.db2.gz BJHWESDODOECFV-UHFFFAOYSA-N -1 3 344.283 3.817 20 0 EHADHM CCO[C@@H](CCNC(=O)c1cc(=O)c2ccccc2[n-]1)C1CCCC1 ZINC000266981814 1140746780 /nfs/dbraw/zinc/74/67/80/1140746780.db2.gz DIPYHSFZTVKZDA-IBGZPJMESA-N -1 3 342.439 3.656 20 0 EHADHM CSc1cccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c1C ZINC000271610442 1141406311 /nfs/dbraw/zinc/40/63/11/1141406311.db2.gz KEVJDTSSEJKQMN-UHFFFAOYSA-N -1 3 329.347 3.843 20 0 EHADHM Cc1ccc(-c2nc([C@@H](NC(=O)OC(C)(C)C)C(C)C)no2)c([O-])c1 ZINC000273887284 1141440122 /nfs/dbraw/zinc/44/01/22/1141440122.db2.gz OULGFTORDQCXON-AWEZNQCLSA-N -1 3 347.415 3.972 20 0 EHADHM CC(C)OC(=O)C[C@@H]1CCCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000274325369 1141497566 /nfs/dbraw/zinc/49/75/66/1141497566.db2.gz DSFLQXCNWTYUSV-HNNXBMFYSA-N -1 3 347.455 3.710 20 0 EHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)c3ccccn3)c2)n1 ZINC000339261207 1141542478 /nfs/dbraw/zinc/54/24/78/1141542478.db2.gz WFBZVUACRFCGMD-CYBMUJFWSA-N -1 3 348.406 3.549 20 0 EHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2cc(C)sc2C)c1 ZINC000055223008 214291304 /nfs/dbraw/zinc/29/13/04/214291304.db2.gz HPGYIIACJYNNSQ-JTQLQIEISA-N -1 3 332.425 3.520 20 0 EHADHM Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)c([O-])c1C ZINC000130981635 223193209 /nfs/dbraw/zinc/19/32/09/223193209.db2.gz ZBMXQYNZBBIPIZ-RDTXWAMCSA-N -1 3 325.408 3.611 20 0 EHADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1cccc(Cl)c1 ZINC000023864166 212397374 /nfs/dbraw/zinc/39/73/74/212397374.db2.gz GMQVXYAACRUUHZ-MRVPVSSYSA-N -1 3 349.761 3.797 20 0 EHADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000020628523 212156801 /nfs/dbraw/zinc/15/68/01/212156801.db2.gz KSTVEAPWGDBSKW-UHFFFAOYSA-N -1 3 346.452 3.644 20 0 EHADHM COc1cc(C)c([C@@H](C)NC(=O)c2ccc(C)cc2[O-])cc1OC ZINC000097335175 219012722 /nfs/dbraw/zinc/01/27/22/219012722.db2.gz AVGBEJXXQPYQAF-CYBMUJFWSA-N -1 3 329.396 3.517 20 0 EHADHM Clc1ccc2c(c1Cl)CC[C@@H]2Nc1ncccc1-c1nnn[n-]1 ZINC000737573045 598829334 /nfs/dbraw/zinc/82/93/34/598829334.db2.gz IWQYENQBFTUUFJ-LBPRGKRZSA-N -1 3 347.209 3.668 20 0 EHADHM Clc1ccc2c(c1Cl)CC[C@@H]2Nc1ncccc1-c1nn[n-]n1 ZINC000737573045 598829335 /nfs/dbraw/zinc/82/93/35/598829335.db2.gz IWQYENQBFTUUFJ-LBPRGKRZSA-N -1 3 347.209 3.668 20 0 EHADHM c1cc(CNc2ccc(COC3CCCC3)cc2)cc(-c2nnn[n-]2)c1 ZINC000738412202 598888151 /nfs/dbraw/zinc/88/81/51/598888151.db2.gz CGINSCMVISLHHQ-UHFFFAOYSA-N -1 3 349.438 3.938 20 0 EHADHM c1cc(CNc2ccc(COC3CCCC3)cc2)cc(-c2nn[n-]n2)c1 ZINC000738412202 598888152 /nfs/dbraw/zinc/88/81/52/598888152.db2.gz CGINSCMVISLHHQ-UHFFFAOYSA-N -1 3 349.438 3.938 20 0 EHADHM CC[C@H](CC1CCCC1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000736349322 598923032 /nfs/dbraw/zinc/92/30/32/598923032.db2.gz FRDQKHXHSNHBGS-OAHLLOKOSA-N -1 3 328.416 3.516 20 0 EHADHM CC[C@H](CC1CCCC1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000736349322 598923034 /nfs/dbraw/zinc/92/30/34/598923034.db2.gz FRDQKHXHSNHBGS-OAHLLOKOSA-N -1 3 328.416 3.516 20 0 EHADHM CC[C@@H](CC1CCCC1)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000736349320 598923093 /nfs/dbraw/zinc/92/30/93/598923093.db2.gz FRDQKHXHSNHBGS-HNNXBMFYSA-N -1 3 328.416 3.516 20 0 EHADHM CC[C@@H](CC1CCCC1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000736349320 598923096 /nfs/dbraw/zinc/92/30/96/598923096.db2.gz FRDQKHXHSNHBGS-HNNXBMFYSA-N -1 3 328.416 3.516 20 0 EHADHM CCc1cc(Oc2ncc(-c3nnn[n-]3)cc2Cl)ccc1Cl ZINC000736678345 598934839 /nfs/dbraw/zinc/93/48/39/598934839.db2.gz XYKVWSZABVCIBC-UHFFFAOYSA-N -1 3 336.182 3.923 20 0 EHADHM CCc1cc(Oc2ncc(-c3nn[n-]n3)cc2Cl)ccc1Cl ZINC000736678345 598934841 /nfs/dbraw/zinc/93/48/41/598934841.db2.gz XYKVWSZABVCIBC-UHFFFAOYSA-N -1 3 336.182 3.923 20 0 EHADHM CC(C)OCc1ccc(Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000735902945 598938000 /nfs/dbraw/zinc/93/80/00/598938000.db2.gz BMIPRHZCIDTFHB-UHFFFAOYSA-N -1 3 344.806 3.584 20 0 EHADHM CC(C)OCc1ccc(Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000735902945 598938002 /nfs/dbraw/zinc/93/80/02/598938002.db2.gz BMIPRHZCIDTFHB-UHFFFAOYSA-N -1 3 344.806 3.584 20 0 EHADHM CC(C)CN(Cc1ccccc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000735832304 598939457 /nfs/dbraw/zinc/93/94/57/598939457.db2.gz ZGGCMKZHBMNUFX-UHFFFAOYSA-N -1 3 342.834 3.578 20 0 EHADHM CC(C)CN(Cc1ccccc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000735832304 598939458 /nfs/dbraw/zinc/93/94/58/598939458.db2.gz ZGGCMKZHBMNUFX-UHFFFAOYSA-N -1 3 342.834 3.578 20 0 EHADHM O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)C1CC=CC1 ZINC000738175586 598941510 /nfs/dbraw/zinc/94/15/10/598941510.db2.gz PJPCWQNYOCEHMD-UHFFFAOYSA-N -1 3 347.378 3.564 20 0 EHADHM O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)C1CC=CC1 ZINC000738175586 598941511 /nfs/dbraw/zinc/94/15/11/598941511.db2.gz PJPCWQNYOCEHMD-UHFFFAOYSA-N -1 3 347.378 3.564 20 0 EHADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CC[C@H](c3ccccc3)[C@H](C)C2)n1 ZINC000822191618 599051493 /nfs/dbraw/zinc/05/14/93/599051493.db2.gz MCFZRWRAYVZKSY-PBHICJAKSA-N -1 3 348.454 3.509 20 0 EHADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CC[C@H](c3ccccc3)[C@H](C)C2)n1 ZINC000822191618 599051496 /nfs/dbraw/zinc/05/14/96/599051496.db2.gz MCFZRWRAYVZKSY-PBHICJAKSA-N -1 3 348.454 3.509 20 0 EHADHM Fc1cccc(N2CC[C@@H]2c2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC000822792394 599063277 /nfs/dbraw/zinc/06/32/77/599063277.db2.gz VFXDEAQLJCFZOP-CYBMUJFWSA-N -1 3 329.766 3.611 20 0 EHADHM Fc1cccc(N2CC[C@@H]2c2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000822792394 599063279 /nfs/dbraw/zinc/06/32/79/599063279.db2.gz VFXDEAQLJCFZOP-CYBMUJFWSA-N -1 3 329.766 3.611 20 0 EHADHM C[C@H](CNc1ccc(F)cc1-c1nnn[n-]1)Oc1cccc(Cl)c1 ZINC000820281267 599064170 /nfs/dbraw/zinc/06/41/70/599064170.db2.gz UOGYIFRMZXAMNE-SNVBAGLBSA-N -1 3 347.781 3.539 20 0 EHADHM C[C@H](CNc1ccc(F)cc1-c1nn[n-]n1)Oc1cccc(Cl)c1 ZINC000820281267 599064173 /nfs/dbraw/zinc/06/41/73/599064173.db2.gz UOGYIFRMZXAMNE-SNVBAGLBSA-N -1 3 347.781 3.539 20 0 EHADHM C[C@@H](CNc1ccc(Cl)cc1-c1nnn[n-]1)Oc1ccccc1F ZINC000820281805 599067683 /nfs/dbraw/zinc/06/76/83/599067683.db2.gz YDQRQPCBCZSLQQ-JTQLQIEISA-N -1 3 347.781 3.539 20 0 EHADHM C[C@@H](CNc1ccc(Cl)cc1-c1nn[n-]n1)Oc1ccccc1F ZINC000820281805 599067686 /nfs/dbraw/zinc/06/76/86/599067686.db2.gz YDQRQPCBCZSLQQ-JTQLQIEISA-N -1 3 347.781 3.539 20 0 EHADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)Oc1ccc(F)cc1 ZINC000820276806 599069833 /nfs/dbraw/zinc/06/98/33/599069833.db2.gz ZYTWAGIGCDUHGP-JTQLQIEISA-N -1 3 347.781 3.539 20 0 EHADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)Oc1ccc(F)cc1 ZINC000820276806 599069835 /nfs/dbraw/zinc/06/98/35/599069835.db2.gz ZYTWAGIGCDUHGP-JTQLQIEISA-N -1 3 347.781 3.539 20 0 EHADHM O=C(/C=C\C1CC1)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822922507 599147551 /nfs/dbraw/zinc/14/75/51/599147551.db2.gz GVXBLKDOXDZMFM-BASWHVEKSA-N -1 3 347.378 3.564 20 0 EHADHM O=C(/C=C\C1CC1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822922507 599147554 /nfs/dbraw/zinc/14/75/54/599147554.db2.gz GVXBLKDOXDZMFM-BASWHVEKSA-N -1 3 347.378 3.564 20 0 EHADHM CN(Cc1ccc(Cl)s1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000821610916 599151017 /nfs/dbraw/zinc/15/10/17/599151017.db2.gz KDDLJBTZIZORNV-UHFFFAOYSA-N -1 3 340.239 3.871 20 0 EHADHM CN(Cc1ccc(Cl)s1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000821610916 599151021 /nfs/dbraw/zinc/15/10/21/599151021.db2.gz KDDLJBTZIZORNV-UHFFFAOYSA-N -1 3 340.239 3.871 20 0 EHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)C=CC2CCCCC2)s1 ZINC000736679473 599248849 /nfs/dbraw/zinc/24/88/49/599248849.db2.gz UPQGOSXUZTWOBP-CMDGGOBGSA-N -1 3 331.445 3.566 20 0 EHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)/C=C/C2CCCCC2)s1 ZINC000736679473 599248850 /nfs/dbraw/zinc/24/88/50/599248850.db2.gz UPQGOSXUZTWOBP-CMDGGOBGSA-N -1 3 331.445 3.566 20 0 EHADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821014419 607288902 /nfs/dbraw/zinc/28/89/02/607288902.db2.gz GVKOSNXACNUCFZ-LRDDRELGSA-N -1 3 342.447 3.608 20 0 EHADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821014419 607288903 /nfs/dbraw/zinc/28/89/03/607288903.db2.gz GVKOSNXACNUCFZ-LRDDRELGSA-N -1 3 342.447 3.608 20 0 EHADHM Cc1cccc(C2(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)CCC2)c1 ZINC000822299626 607295158 /nfs/dbraw/zinc/29/51/58/607295158.db2.gz PGSYRGQTGWLSHJ-UHFFFAOYSA-N -1 3 347.422 3.544 20 0 EHADHM Cc1cccc(C2(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)CCC2)c1 ZINC000822299626 607295159 /nfs/dbraw/zinc/29/51/59/607295159.db2.gz PGSYRGQTGWLSHJ-UHFFFAOYSA-N -1 3 347.422 3.544 20 0 EHADHM Cc1c(NC(=O)[C@@H](C)c2ccc(Cl)s2)cccc1-c1nnn[n-]1 ZINC000822061678 607295751 /nfs/dbraw/zinc/29/57/51/607295751.db2.gz USIAADNOKNOYHF-VIFPVBQESA-N -1 3 347.831 3.632 20 0 EHADHM Cc1c(NC(=O)[C@@H](C)c2ccc(Cl)s2)cccc1-c1nn[n-]n1 ZINC000822061678 607295752 /nfs/dbraw/zinc/29/57/52/607295752.db2.gz USIAADNOKNOYHF-VIFPVBQESA-N -1 3 347.831 3.632 20 0 EHADHM Cc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1-c1ncco1 ZINC000822254324 607318585 /nfs/dbraw/zinc/31/85/85/607318585.db2.gz GYUUQMDVZMSANQ-UHFFFAOYSA-N -1 3 338.396 3.504 20 0 EHADHM Cc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1-c1ncco1 ZINC000822254324 607318586 /nfs/dbraw/zinc/31/85/86/607318586.db2.gz GYUUQMDVZMSANQ-UHFFFAOYSA-N -1 3 338.396 3.504 20 0 EHADHM Cc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1-c1ncco1 ZINC000822254711 607318671 /nfs/dbraw/zinc/31/86/71/607318671.db2.gz PIWPAEZCNRKJAI-UHFFFAOYSA-N -1 3 338.396 3.504 20 0 EHADHM COc1cc([C@H](C)NCc2cccc(C(=O)[O-])c2)ccc1SC ZINC000820759536 598192119 /nfs/dbraw/zinc/19/21/19/598192119.db2.gz YOMOICYDISGFSC-LBPRGKRZSA-N -1 3 331.437 3.966 20 0 EHADHM C[C@H](OCCCNc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000736164423 598235465 /nfs/dbraw/zinc/23/54/65/598235465.db2.gz OLPUXFKYFJKLEY-ZDUSSCGKSA-N -1 3 341.390 3.586 20 0 EHADHM Fc1cccc(N2CCC[C@@H]2CCc2ccccc2)c1-c1nnn[n-]1 ZINC000737659316 598240382 /nfs/dbraw/zinc/24/03/82/598240382.db2.gz CLDFKIHORYBZPE-OAHLLOKOSA-N -1 3 337.402 3.607 20 0 EHADHM Fc1cccc(N2CCC[C@@H]2CCc2ccccc2)c1-c1nn[n-]n1 ZINC000737659316 598240384 /nfs/dbraw/zinc/24/03/84/598240384.db2.gz CLDFKIHORYBZPE-OAHLLOKOSA-N -1 3 337.402 3.607 20 0 EHADHM CN(Cc1ccccc1)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736829079 598274100 /nfs/dbraw/zinc/27/41/00/598274100.db2.gz WHBYZGYTOIKYON-UHFFFAOYSA-N -1 3 333.317 3.522 20 0 EHADHM CN(Cc1ccccc1)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736829079 598274102 /nfs/dbraw/zinc/27/41/02/598274102.db2.gz WHBYZGYTOIKYON-UHFFFAOYSA-N -1 3 333.317 3.522 20 0 EHADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)c1c(Cl)cccc1Cl ZINC000736025324 598298557 /nfs/dbraw/zinc/29/85/57/598298557.db2.gz GAHKCPDMBHZXGV-SECBINFHSA-N -1 3 349.225 3.784 20 0 EHADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)c1c(Cl)cccc1Cl ZINC000736025324 598298559 /nfs/dbraw/zinc/29/85/59/598298559.db2.gz GAHKCPDMBHZXGV-SECBINFHSA-N -1 3 349.225 3.784 20 0 EHADHM Clc1cc(-c2nnn[n-]2)cnc1NCc1ccc2ccccc2c1 ZINC000737557045 598392673 /nfs/dbraw/zinc/39/26/73/598392673.db2.gz BBJKPBOOSMOMTK-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM Clc1cc(-c2nn[n-]n2)cnc1NCc1ccc2ccccc2c1 ZINC000737557045 598392675 /nfs/dbraw/zinc/39/26/75/598392675.db2.gz BBJKPBOOSMOMTK-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM O=C(CC1=CCCCC1)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000737812486 598394775 /nfs/dbraw/zinc/39/47/75/598394775.db2.gz FJXJEMAAJSWOIF-UHFFFAOYSA-N -1 3 343.456 3.636 20 0 EHADHM O=C(CC1=CCCCC1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000737812486 598394778 /nfs/dbraw/zinc/39/47/78/598394778.db2.gz FJXJEMAAJSWOIF-UHFFFAOYSA-N -1 3 343.456 3.636 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1NCCCc1c[nH]c2ccccc12 ZINC000737639821 598467883 /nfs/dbraw/zinc/46/78/83/598467883.db2.gz GRCLOTJOXXGMGR-UHFFFAOYSA-N -1 3 336.374 3.532 20 0 EHADHM Fc1ccc(NCc2cccc(C(F)(F)F)c2)c(-c2nnn[n-]2)c1 ZINC000737656856 598629236 /nfs/dbraw/zinc/62/92/36/598629236.db2.gz QBXRIZCWAHLCAF-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Fc1ccc(NCc2cccc(C(F)(F)F)c2)c(-c2nn[n-]n2)c1 ZINC000737656856 598629238 /nfs/dbraw/zinc/62/92/38/598629238.db2.gz QBXRIZCWAHLCAF-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Clc1cc(NCCSc2ccccc2)ccc1-c1nnn[n-]1 ZINC000737563859 598637916 /nfs/dbraw/zinc/63/79/16/598637916.db2.gz HHTAKGWBRBBHMK-UHFFFAOYSA-N -1 3 331.832 3.724 20 0 EHADHM Clc1cc(NCCSc2ccccc2)ccc1-c1nn[n-]n1 ZINC000737563859 598637918 /nfs/dbraw/zinc/63/79/18/598637918.db2.gz HHTAKGWBRBBHMK-UHFFFAOYSA-N -1 3 331.832 3.724 20 0 EHADHM Cc1cccc2c1CC[C@H]2Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737408636 598672461 /nfs/dbraw/zinc/67/24/61/598672461.db2.gz KQIJIPYDRBTKBO-MRXNPFEDSA-N -1 3 325.803 3.928 20 0 EHADHM Cc1cccc2c1CC[C@H]2Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737408636 598672463 /nfs/dbraw/zinc/67/24/63/598672463.db2.gz KQIJIPYDRBTKBO-MRXNPFEDSA-N -1 3 325.803 3.928 20 0 EHADHM Fc1ccc2c(c1)[C@@H](Nc1ccc(-c3nnn[n-]3)c(Cl)c1)CCO2 ZINC000737667357 598674676 /nfs/dbraw/zinc/67/46/76/598674676.db2.gz PPWWRVVWHHRWSN-AWEZNQCLSA-N -1 3 345.765 3.595 20 0 EHADHM Fc1ccc2c(c1)[C@@H](Nc1ccc(-c3nn[n-]n3)c(Cl)c1)CCO2 ZINC000737667357 598674678 /nfs/dbraw/zinc/67/46/78/598674678.db2.gz PPWWRVVWHHRWSN-AWEZNQCLSA-N -1 3 345.765 3.595 20 0 EHADHM CCc1cccc2c(CCNc3ccc(-c4nn[n-]n4)cc3)c[nH]c21 ZINC000736696557 598678510 /nfs/dbraw/zinc/67/85/10/598678510.db2.gz ZFQBQISILVTRPK-UHFFFAOYSA-N -1 3 332.411 3.565 20 0 EHADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cccc2ccccc21 ZINC000738236059 598704038 /nfs/dbraw/zinc/70/40/38/598704038.db2.gz QWIFVJKCDISOHN-UHFFFAOYSA-N -1 3 348.337 3.516 20 0 EHADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cccc2ccccc21 ZINC000738236059 598704039 /nfs/dbraw/zinc/70/40/39/598704039.db2.gz QWIFVJKCDISOHN-UHFFFAOYSA-N -1 3 348.337 3.516 20 0 EHADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737421180 598764632 /nfs/dbraw/zinc/76/46/32/598764632.db2.gz KKJGCBSBHXOKJE-SFHVURJKSA-N -1 3 349.438 3.692 20 0 EHADHM Cc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737421180 598764633 /nfs/dbraw/zinc/76/46/33/598764633.db2.gz KKJGCBSBHXOKJE-SFHVURJKSA-N -1 3 349.438 3.692 20 0 EHADHM Fc1ccc([C@H]2CCCN2c2cccc(F)c2-c2nnn[n-]2)cc1F ZINC000737647150 598795694 /nfs/dbraw/zinc/79/56/94/598795694.db2.gz BZDYBRNSRLCOFS-CQSZACIVSA-N -1 3 345.328 3.626 20 0 EHADHM Fc1ccc([C@H]2CCCN2c2cccc(F)c2-c2nn[n-]n2)cc1F ZINC000737647150 598795695 /nfs/dbraw/zinc/79/56/95/598795695.db2.gz BZDYBRNSRLCOFS-CQSZACIVSA-N -1 3 345.328 3.626 20 0 EHADHM C[C@H](c1cc2ccccc2o1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC000736197246 598814458 /nfs/dbraw/zinc/81/44/58/598814458.db2.gz MFXNLPZVERFJLC-LLVKDONJSA-N -1 3 337.358 3.949 20 0 EHADHM C[C@H](c1cc2ccccc2o1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC000736197246 598814461 /nfs/dbraw/zinc/81/44/61/598814461.db2.gz MFXNLPZVERFJLC-LLVKDONJSA-N -1 3 337.358 3.949 20 0 EHADHM CC[C@H](CC(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736332802 598818892 /nfs/dbraw/zinc/81/88/92/598818892.db2.gz OIDYBMFRTKHNGG-LSDHHAIUSA-N -1 3 343.475 3.849 20 0 EHADHM CC[C@H](CC(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736332802 598818893 /nfs/dbraw/zinc/81/88/93/598818893.db2.gz OIDYBMFRTKHNGG-LSDHHAIUSA-N -1 3 343.475 3.849 20 0 EHADHM CC(C)(C)[C@@H]1OCCC[C@H]1CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735597670 599304914 /nfs/dbraw/zinc/30/49/14/599304914.db2.gz RRJTUBGRIKXTRW-XHDPSFHLSA-N -1 3 349.866 3.773 20 0 EHADHM CC(C)(C)[C@@H]1OCCC[C@H]1CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735597670 599304917 /nfs/dbraw/zinc/30/49/17/599304917.db2.gz RRJTUBGRIKXTRW-XHDPSFHLSA-N -1 3 349.866 3.773 20 0 EHADHM CC(C)c1ccc(CCC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735924324 599306064 /nfs/dbraw/zinc/30/60/64/599306064.db2.gz QOOZCYAQWFUNCC-UHFFFAOYSA-N -1 3 349.438 3.586 20 0 EHADHM CC(C)c1ccc(CCC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735924324 599306066 /nfs/dbraw/zinc/30/60/66/599306066.db2.gz QOOZCYAQWFUNCC-UHFFFAOYSA-N -1 3 349.438 3.586 20 0 EHADHM CC(C)OCc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820146925 599370378 /nfs/dbraw/zinc/37/03/78/599370378.db2.gz UXNRHRWTTUXIAY-CQSZACIVSA-N -1 3 337.427 3.965 20 0 EHADHM CC(C)OCc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820146925 599370380 /nfs/dbraw/zinc/37/03/80/599370380.db2.gz UXNRHRWTTUXIAY-CQSZACIVSA-N -1 3 337.427 3.965 20 0 EHADHM C[C@@H](OCCCNc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000820519794 599466727 /nfs/dbraw/zinc/46/67/27/599466727.db2.gz WUGYGDKCHCBEJP-CYBMUJFWSA-N -1 3 341.390 3.586 20 0 EHADHM C[C@@H](OCCCNc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000820519794 599466728 /nfs/dbraw/zinc/46/67/28/599466728.db2.gz WUGYGDKCHCBEJP-CYBMUJFWSA-N -1 3 341.390 3.586 20 0 EHADHM CCCOCc1ccccc1CNc1ccc(F)cc1-c1nnn[n-]1 ZINC000821128128 599481691 /nfs/dbraw/zinc/48/16/91/599481691.db2.gz PEIKKPOMNNHOTG-UHFFFAOYSA-N -1 3 341.390 3.545 20 0 EHADHM CCCOCc1ccccc1CNc1ccc(F)cc1-c1nn[n-]n1 ZINC000821128128 599481694 /nfs/dbraw/zinc/48/16/94/599481694.db2.gz PEIKKPOMNNHOTG-UHFFFAOYSA-N -1 3 341.390 3.545 20 0 EHADHM C[C@H](NC(=O)CC/C=C/c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820323033 599533334 /nfs/dbraw/zinc/53/33/34/599533334.db2.gz WJNXBYUKINQWIY-RNOHYWCBSA-N -1 3 347.422 3.538 20 0 EHADHM C[C@H](NC(=O)CC/C=C/c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820323033 599533335 /nfs/dbraw/zinc/53/33/35/599533335.db2.gz WJNXBYUKINQWIY-RNOHYWCBSA-N -1 3 347.422 3.538 20 0 EHADHM Fc1ccc(N2CC[C@@H](c3ccc(Cl)cc3)C2)c(-c2nnn[n-]2)c1 ZINC000822778111 599551164 /nfs/dbraw/zinc/55/11/64/599551164.db2.gz DFVSFCRFPKBIDQ-GFCCVEGCSA-N -1 3 343.793 3.653 20 0 EHADHM Fc1ccc(N2CC[C@@H](c3ccc(Cl)cc3)C2)c(-c2nn[n-]n2)c1 ZINC000822778111 599551166 /nfs/dbraw/zinc/55/11/66/599551166.db2.gz DFVSFCRFPKBIDQ-GFCCVEGCSA-N -1 3 343.793 3.653 20 0 EHADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(C)(C)C ZINC000819866716 599632559 /nfs/dbraw/zinc/63/25/59/599632559.db2.gz OZIIGJIDMXQNEE-QMMMGPOBSA-N -1 3 341.337 3.506 20 0 EHADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(C)(C)C ZINC000819866716 599632560 /nfs/dbraw/zinc/63/25/60/599632560.db2.gz OZIIGJIDMXQNEE-QMMMGPOBSA-N -1 3 341.337 3.506 20 0 EHADHM CC(C)Oc1cccc(CN(CC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC000736494649 599864112 /nfs/dbraw/zinc/86/41/12/599864112.db2.gz QRNWZEQAKVACJU-UHFFFAOYSA-N -1 3 349.377 3.839 20 0 EHADHM O=C([O-])c1cccc(CN(Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000263498967 599996142 /nfs/dbraw/zinc/99/61/42/599996142.db2.gz UUBLUJHPWDYNHE-MRXNPFEDSA-N -1 3 331.437 3.628 20 0 EHADHM COc1ccc(C2(NCc3cc(C(=O)[O-])oc3C)CCCC2)cc1 ZINC000737980380 600284489 /nfs/dbraw/zinc/28/44/89/600284489.db2.gz GPCZLVNCXDVGKE-UHFFFAOYSA-N -1 3 329.396 3.854 20 0 EHADHM CC[C@](NCc1cnc(-c2ccccc2)nc1)(C(=O)[O-])c1ccccc1 ZINC000736920823 600302763 /nfs/dbraw/zinc/30/27/63/600302763.db2.gz SUZFTPPQCSJIAR-OAQYLSRUSA-N -1 3 347.418 3.623 20 0 EHADHM COc1cc([C@H](C)N[C@@H](C(=O)[O-])c2ccccc2)ccc1OC(C)C ZINC000737869050 600422659 /nfs/dbraw/zinc/42/26/59/600422659.db2.gz YGDNXZROFZATCL-IFXJQAMLSA-N -1 3 343.423 3.959 20 0 EHADHM O=C([O-])[C@@H](NCc1ccccc1OCC(F)(F)F)c1ccccc1 ZINC000738525893 600428027 /nfs/dbraw/zinc/42/80/27/600428027.db2.gz ONZFWBDUHYNPGB-HNNXBMFYSA-N -1 3 339.313 3.543 20 0 EHADHM CC[C@H](NCCOc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC000736917432 600452825 /nfs/dbraw/zinc/45/28/25/600452825.db2.gz MQBUHCAKWJWZSY-KRWDZBQOSA-N -1 3 335.350 3.783 20 0 EHADHM CCc1ccc(-c2nc(CNC3(C(=O)[O-])CCCC3)cs2)cc1 ZINC000737255612 600558371 /nfs/dbraw/zinc/55/83/71/600558371.db2.gz HVTQRHQNHYKKGX-UHFFFAOYSA-N -1 3 330.453 3.860 20 0 EHADHM c1cc(SCc2noc(C3CCCCC3)n2)cc(-c2nnn[n-]2)c1 ZINC000823762700 607467667 /nfs/dbraw/zinc/46/76/67/607467667.db2.gz SXGGCORYUJXRRK-UHFFFAOYSA-N -1 3 342.428 3.590 20 0 EHADHM c1cc(SCc2noc(C3CCCCC3)n2)cc(-c2nn[n-]n2)c1 ZINC000823762700 607467668 /nfs/dbraw/zinc/46/76/68/607467668.db2.gz SXGGCORYUJXRRK-UHFFFAOYSA-N -1 3 342.428 3.590 20 0 EHADHM O=C([O-])[C@H](c1ccccc1F)N1CCS[C@@H](c2ccccc2)C1 ZINC000833174904 601014682 /nfs/dbraw/zinc/01/46/82/601014682.db2.gz YNFMORWUHARGCQ-SJORKVTESA-N -1 3 331.412 3.742 20 0 EHADHM O=C([O-])c1ccc(CNCc2ccc(Br)c(F)c2)cc1 ZINC000426683179 601154602 /nfs/dbraw/zinc/15/46/02/601154602.db2.gz PHMKHOZKCKZJME-UHFFFAOYSA-N -1 3 338.176 3.576 20 0 EHADHM CCC1CCC(NCc2csc(-c3ccco3)n2)(C(=O)[O-])CC1 ZINC000829107542 601496136 /nfs/dbraw/zinc/49/61/36/601496136.db2.gz NOGRWWWYQCKEKK-UHFFFAOYSA-N -1 3 334.441 3.916 20 0 EHADHM O=C([O-])c1ccc(CN(Cc2cccc(O)c2)CC2CC2)cc1F ZINC000833315171 601625986 /nfs/dbraw/zinc/62/59/86/601625986.db2.gz STUGNBLWIZUIJH-UHFFFAOYSA-N -1 3 329.371 3.642 20 0 EHADHM CCC(CC)(CC(=O)[O-])NCc1nnc(-c2ccccc2Cl)o1 ZINC000828804434 601633971 /nfs/dbraw/zinc/63/39/71/601633971.db2.gz MJWJRMWUOZHWDL-UHFFFAOYSA-N -1 3 337.807 3.513 20 0 EHADHM CN(C)c1cccc([C@@H]2CCCN2Cc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000830643825 601640514 /nfs/dbraw/zinc/64/05/14/601640514.db2.gz MTJFKCXVIXORRW-IBGZPJMESA-N -1 3 342.414 3.927 20 0 EHADHM O=C([O-])c1cc(CNCc2ccc(OCc3ccccc3)cc2)c[nH]1 ZINC000833298174 601832065 /nfs/dbraw/zinc/83/20/65/601832065.db2.gz UFCIBXJCEHNCGH-UHFFFAOYSA-N -1 3 336.391 3.582 20 0 EHADHM Cc1cccc(C2(O)CCN(Cc3ccsc3C(=O)[O-])CC2)c1C ZINC000832965672 601833845 /nfs/dbraw/zinc/83/38/45/601833845.db2.gz LWOYHHBPLPJQRR-UHFFFAOYSA-N -1 3 345.464 3.547 20 0 EHADHM Cc1nc([C@H](C)N2CC[C@H](C(=O)[O-])C2)oc1-c1ccc(Cl)cc1 ZINC000576234146 602015116 /nfs/dbraw/zinc/01/51/16/602015116.db2.gz XFRFJAPNOCHZJM-AAEUAGOBSA-N -1 3 334.803 3.771 20 0 EHADHM COc1cc(OC)cc([C@H](N[C@@H](C)c2cccc(Cl)c2)C(=O)[O-])c1 ZINC000832050095 602164029 /nfs/dbraw/zinc/16/40/29/602164029.db2.gz MICZBBOECMGHBX-GTNSWQLSSA-N -1 3 349.814 3.834 20 0 EHADHM O=C([O-])N(CCCNCc1csc(-c2ccc(F)cc2)n1)C1CC1 ZINC000740489641 602649469 /nfs/dbraw/zinc/64/94/69/602649469.db2.gz RZDORULXGLAWOZ-UHFFFAOYSA-N -1 3 349.431 3.571 20 0 EHADHM Cc1ccc(-c2nc(CNCC[C@@H]3CCN(C(=O)[O-])C3)cs2)cc1 ZINC000740092533 602876861 /nfs/dbraw/zinc/87/68/61/602876861.db2.gz KQHKXIARKPGEPG-CQSZACIVSA-N -1 3 345.468 3.598 20 0 EHADHM CN(C)Cc1cccc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)c1 ZINC000739615336 603218479 /nfs/dbraw/zinc/21/84/79/603218479.db2.gz RJHDKGUHNFKWJS-UHFFFAOYSA-N -1 3 347.802 3.744 20 0 EHADHM C[C@H](NCc1ccc(NC(=O)[O-])nc1)c1ccc2c(c1)CCCC2 ZINC000825503705 603532378 /nfs/dbraw/zinc/53/23/78/603532378.db2.gz XJIIUPFNVWPLBZ-ZDUSSCGKSA-N -1 3 325.412 3.901 20 0 EHADHM C[C@H](Oc1ccc(CN2C[C@@H](C)[C@H]2c2ccccc2)cc1)C(=O)[O-] ZINC000833537336 604680019 /nfs/dbraw/zinc/68/00/19/604680019.db2.gz INGMLZRYNLZDFK-VCBZYWHSSA-N -1 3 325.408 3.732 20 0 EHADHM COCc1cccc(CN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC000565104619 604971187 /nfs/dbraw/zinc/97/11/87/604971187.db2.gz KDRXSDLJVUBDIU-UHFFFAOYSA-N -1 3 349.377 3.588 20 0 EHADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000833546978 605047105 /nfs/dbraw/zinc/04/71/05/605047105.db2.gz OCDDYRKTTWROCL-SWLSCSKDSA-N -1 3 345.370 3.915 20 0 EHADHM Cc1noc(C)c1CCN[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833757706 605064852 /nfs/dbraw/zinc/06/48/52/605064852.db2.gz OTXKFHIKRHFBRC-AWEZNQCLSA-N -1 3 343.210 3.556 20 0 EHADHM CC(C)Oc1ccccc1[C@H](C)NCc1ccccc1CC(=O)[O-] ZINC000833507238 605070425 /nfs/dbraw/zinc/07/04/25/605070425.db2.gz CPRVOGBKKNNOEF-HNNXBMFYSA-N -1 3 327.424 3.952 20 0 EHADHM C[C@@]1(NCc2nnc(-c3ccccc3Cl)o2)CCCC[C@@H]1C(=O)[O-] ZINC000833571386 605071847 /nfs/dbraw/zinc/07/18/47/605071847.db2.gz XTVBXLFIPINNDE-SJKOYZFVSA-N -1 3 349.818 3.513 20 0 EHADHM C/C(=C/CN[C@H](COc1ccccc1F)c1ccccc1)C(=O)[O-] ZINC000833382833 605089264 /nfs/dbraw/zinc/08/92/64/605089264.db2.gz IQRPXXXQPIUWHU-VWILAXROSA-N -1 3 329.371 3.566 20 0 EHADHM COCC1(C)CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC000566361382 605131315 /nfs/dbraw/zinc/13/13/15/605131315.db2.gz JNJYIJTUTRZLTK-CQSZACIVSA-N -1 3 346.254 3.868 20 0 EHADHM CCc1oc(C(=O)[O-])cc1CN[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000833680487 605177016 /nfs/dbraw/zinc/17/70/16/605177016.db2.gz KEBNTCTWEHEKQI-AWEZNQCLSA-N -1 3 342.439 3.991 20 0 EHADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2ccccc2OC(F)(F)F)C1 ZINC000325399884 605551659 /nfs/dbraw/zinc/55/16/59/605551659.db2.gz YCLLHPVEJRIZOQ-ZDUSSCGKSA-N -1 3 345.361 3.908 20 0 EHADHM C[C@@H](CN(Cc1ccc(-c2ccncc2)cc1F)C1CC1)C(=O)[O-] ZINC000833516312 605750488 /nfs/dbraw/zinc/75/04/88/605750488.db2.gz ILKZPBLEIRDETB-ZDUSSCGKSA-N -1 3 328.387 3.573 20 0 EHADHM CCc1csc([C@@H]2CCCN(Cc3cc(C(=O)[O-])ccc3F)C2)n1 ZINC000833676987 605832690 /nfs/dbraw/zinc/83/26/90/605832690.db2.gz YHVPDBXVAZSTPO-CYBMUJFWSA-N -1 3 348.443 3.922 20 0 EHADHM CCc1csc([C@H]2CCCN(Cc3cc(C(=O)[O-])ccc3F)C2)n1 ZINC000833676988 605832796 /nfs/dbraw/zinc/83/27/96/605832796.db2.gz YHVPDBXVAZSTPO-ZDUSSCGKSA-N -1 3 348.443 3.922 20 0 EHADHM Cc1cc(C=Cc2ccc(-c3nnn[n-]3)cn2)ccc1Br ZINC000822198620 606050629 /nfs/dbraw/zinc/05/06/29/606050629.db2.gz CLHPWCBRLMBVEO-GORDUTHDSA-N -1 3 342.200 3.503 20 0 EHADHM Cc1cc(C=Cc2ccc(-c3nn[n-]n3)cn2)ccc1Br ZINC000822198620 606050634 /nfs/dbraw/zinc/05/06/34/606050634.db2.gz CLHPWCBRLMBVEO-GORDUTHDSA-N -1 3 342.200 3.503 20 0 EHADHM CCN(Cc1cnc(Cl)s1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821230455 606153727 /nfs/dbraw/zinc/15/37/27/606153727.db2.gz KSGZFUBZXCVQCY-JTQLQIEISA-N -1 3 348.863 3.560 20 0 EHADHM CC(C)c1cnc(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1C ZINC000820198501 606172675 /nfs/dbraw/zinc/17/26/75/606172675.db2.gz YMYADWAORUEVKE-LLVKDONJSA-N -1 3 328.445 3.577 20 0 EHADHM CC(C)c1cnc(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1C ZINC000820198501 606172676 /nfs/dbraw/zinc/17/26/76/606172676.db2.gz YMYADWAORUEVKE-LLVKDONJSA-N -1 3 328.445 3.577 20 0 EHADHM CC(C)[C@@H](CNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccnc1 ZINC000820021722 606229246 /nfs/dbraw/zinc/22/92/46/606229246.db2.gz XUUHOTYIKYHSLK-OAHLLOKOSA-N -1 3 342.834 3.767 20 0 EHADHM CC(C)[C@@H](CNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccnc1 ZINC000820021722 606229248 /nfs/dbraw/zinc/22/92/48/606229248.db2.gz XUUHOTYIKYHSLK-OAHLLOKOSA-N -1 3 342.834 3.767 20 0 EHADHM c1cc(-c2nc(CSc3cccc(-c4nnn[n-]4)c3)cs2)co1 ZINC000823761970 606326652 /nfs/dbraw/zinc/32/66/52/606326652.db2.gz CIFBTCBXISBMFK-UHFFFAOYSA-N -1 3 341.421 3.876 20 0 EHADHM c1cc(-c2nc(CSc3cccc(-c4nn[n-]n4)c3)cs2)co1 ZINC000823761970 606326654 /nfs/dbraw/zinc/32/66/54/606326654.db2.gz CIFBTCBXISBMFK-UHFFFAOYSA-N -1 3 341.421 3.876 20 0 EHADHM COc1cccc([C@H](C)Sc2nc(C)cc(C)c2-c2nnn[n-]2)c1 ZINC000821857915 606333184 /nfs/dbraw/zinc/33/31/84/606333184.db2.gz BHHZMQWPKWHIHW-LBPRGKRZSA-N -1 3 341.440 3.740 20 0 EHADHM COc1cccc([C@H](C)Sc2nc(C)cc(C)c2-c2nn[n-]n2)c1 ZINC000821857915 606333186 /nfs/dbraw/zinc/33/31/86/606333186.db2.gz BHHZMQWPKWHIHW-LBPRGKRZSA-N -1 3 341.440 3.740 20 0 EHADHM COc1cccc([C@@H](C)Sc2nc(C)cc(C)c2-c2nnn[n-]2)c1 ZINC000821857901 606333340 /nfs/dbraw/zinc/33/33/40/606333340.db2.gz BHHZMQWPKWHIHW-GFCCVEGCSA-N -1 3 341.440 3.740 20 0 EHADHM COc1cccc([C@@H](C)Sc2nc(C)cc(C)c2-c2nn[n-]n2)c1 ZINC000821857901 606333341 /nfs/dbraw/zinc/33/33/41/606333341.db2.gz BHHZMQWPKWHIHW-GFCCVEGCSA-N -1 3 341.440 3.740 20 0 EHADHM C[C@@H](OC(=O)c1cccc(C(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513061 606343123 /nfs/dbraw/zinc/34/31/23/606343123.db2.gz SZYJHVZBGJCEKV-SNVBAGLBSA-N -1 3 344.321 3.722 20 0 EHADHM C[C@@H](OC(=O)c1cccc(C(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513061 606343125 /nfs/dbraw/zinc/34/31/25/606343125.db2.gz SZYJHVZBGJCEKV-SNVBAGLBSA-N -1 3 344.321 3.722 20 0 EHADHM C[C@@H](CC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000820225136 606350485 /nfs/dbraw/zinc/35/04/85/606350485.db2.gz BQWQQRHZTBKTKN-KBPBESRZSA-N -1 3 336.395 3.665 20 0 EHADHM C[C@@H](CC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820225136 606350486 /nfs/dbraw/zinc/35/04/86/606350486.db2.gz BQWQQRHZTBKTKN-KBPBESRZSA-N -1 3 336.395 3.665 20 0 EHADHM c1cnc(Nc2ccc(NC3CCCCC3)cc2)c(-c2nnn[n-]2)c1 ZINC000823810366 606433338 /nfs/dbraw/zinc/43/33/38/606433338.db2.gz XPGLUJTWSUNLFG-UHFFFAOYSA-N -1 3 335.415 3.750 20 0 EHADHM c1cnc(Nc2ccc(NC3CCCCC3)cc2)c(-c2nn[n-]n2)c1 ZINC000823810366 606433340 /nfs/dbraw/zinc/43/33/40/606433340.db2.gz XPGLUJTWSUNLFG-UHFFFAOYSA-N -1 3 335.415 3.750 20 0 EHADHM c1ccc(OC2CCCC2)c(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823752328 606449827 /nfs/dbraw/zinc/44/98/27/606449827.db2.gz XSUSILGOEGSQMJ-UHFFFAOYSA-N -1 3 335.411 3.800 20 0 EHADHM c1ccc(OC2CCCC2)c(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823752328 606449829 /nfs/dbraw/zinc/44/98/29/606449829.db2.gz XSUSILGOEGSQMJ-UHFFFAOYSA-N -1 3 335.411 3.800 20 0 EHADHM CC[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(C)cc1 ZINC000820937964 606462641 /nfs/dbraw/zinc/46/26/41/606462641.db2.gz FXPWCDWLPQMLIF-CYBMUJFWSA-N -1 3 328.397 3.545 20 0 EHADHM CC[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(C)cc1 ZINC000820937964 606462643 /nfs/dbraw/zinc/46/26/43/606462643.db2.gz FXPWCDWLPQMLIF-CYBMUJFWSA-N -1 3 328.397 3.545 20 0 EHADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCCC2(C1)CCCCCC2 ZINC000823472225 606521724 /nfs/dbraw/zinc/52/17/24/606521724.db2.gz DRVWMILVGSVUAL-UHFFFAOYSA-N -1 3 345.472 3.505 20 0 EHADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCCC2(C1)CCCCCC2 ZINC000823472225 606521726 /nfs/dbraw/zinc/52/17/26/606521726.db2.gz DRVWMILVGSVUAL-UHFFFAOYSA-N -1 3 345.472 3.505 20 0 EHADHM CCN(C(=O)[C@@H](C)C1CCCC1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149116 606531407 /nfs/dbraw/zinc/53/14/07/606531407.db2.gz SEKRZZIMALJHMK-KBPBESRZSA-N -1 3 341.459 3.603 20 0 EHADHM CCN(C(=O)[C@@H](C)C1CCCC1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149116 606531410 /nfs/dbraw/zinc/53/14/10/606531410.db2.gz SEKRZZIMALJHMK-KBPBESRZSA-N -1 3 341.459 3.603 20 0 EHADHM FC(F)(F)[C@@H]1CCC[C@H](CNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000822714363 606595472 /nfs/dbraw/zinc/59/54/72/606595472.db2.gz MEXSSTKVDPBGPF-CMPLNLGQSA-N -1 3 325.338 3.647 20 0 EHADHM CCN(C(=O)/C=C1\CC[C@H](C)C1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821149151 606619031 /nfs/dbraw/zinc/61/90/31/606619031.db2.gz STSGSWDJIWEPQT-IABSEIGFSA-N -1 3 339.443 3.523 20 0 EHADHM CCN(C(=O)/C=C1\CC[C@H](C)C1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821149151 606619033 /nfs/dbraw/zinc/61/90/33/606619033.db2.gz STSGSWDJIWEPQT-IABSEIGFSA-N -1 3 339.443 3.523 20 0 EHADHM c1sc(C2CCCC2)nc1CNc1cccc(-c2nnn[n-]2)c1 ZINC000823757685 606657066 /nfs/dbraw/zinc/65/70/66/606657066.db2.gz SYVGFTMRIOLHFM-UHFFFAOYSA-N -1 3 326.429 3.593 20 0 EHADHM c1sc(C2CCCC2)nc1CNc1cccc(-c2nn[n-]n2)c1 ZINC000823757685 606657067 /nfs/dbraw/zinc/65/70/67/606657067.db2.gz SYVGFTMRIOLHFM-UHFFFAOYSA-N -1 3 326.429 3.593 20 0 EHADHM O=C(C=C1CCC1)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822916831 606674658 /nfs/dbraw/zinc/67/46/58/606674658.db2.gz FNCPFXLEZGHHQR-UHFFFAOYSA-N -1 3 347.378 3.708 20 0 EHADHM O=C(C=C1CCC1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822916831 606674659 /nfs/dbraw/zinc/67/46/59/606674659.db2.gz FNCPFXLEZGHHQR-UHFFFAOYSA-N -1 3 347.378 3.708 20 0 EHADHM c1ccc2c(c1)OC1(CCCC1)C[C@H]2Nc1ccc(-c2nnn[n-]2)nc1 ZINC000823802237 607034531 /nfs/dbraw/zinc/03/45/31/607034531.db2.gz KIIGYVGICKQPSQ-MRXNPFEDSA-N -1 3 348.410 3.510 20 0 EHADHM c1ccc2c(c1)OC1(CCCC1)C[C@H]2Nc1ccc(-c2nn[n-]n2)nc1 ZINC000823802237 607034533 /nfs/dbraw/zinc/03/45/33/607034533.db2.gz KIIGYVGICKQPSQ-MRXNPFEDSA-N -1 3 348.410 3.510 20 0 EHADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=C1CCCCC1 ZINC000821118259 607042506 /nfs/dbraw/zinc/04/25/06/607042506.db2.gz KCWRJKSTEBRRSK-UHFFFAOYSA-N -1 3 340.431 3.518 20 0 EHADHM C[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000820225814 607189031 /nfs/dbraw/zinc/18/90/31/607189031.db2.gz PTQZNBBQJYEVTC-LLVKDONJSA-N -1 3 341.802 3.652 20 0 EHADHM C[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000820225814 607189032 /nfs/dbraw/zinc/18/90/32/607189032.db2.gz PTQZNBBQJYEVTC-LLVKDONJSA-N -1 3 341.802 3.652 20 0 EHADHM CCCCC[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821050022 607194648 /nfs/dbraw/zinc/19/46/48/607194648.db2.gz OXALAKYSIMBGIA-CYBMUJFWSA-N -1 3 346.410 3.582 20 0 EHADHM CCCCC[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821050022 607194649 /nfs/dbraw/zinc/19/46/49/607194649.db2.gz OXALAKYSIMBGIA-CYBMUJFWSA-N -1 3 346.410 3.582 20 0 EHADHM C[C@@H]1CCC[C@H](N(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820697574 607197274 /nfs/dbraw/zinc/19/72/74/607197274.db2.gz JDORHYVQQDYRPB-PWSUYJOCSA-N -1 3 348.838 3.563 20 0 EHADHM C[C@@H]1CCC[C@H](N(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820697574 607197275 /nfs/dbraw/zinc/19/72/75/607197275.db2.gz JDORHYVQQDYRPB-PWSUYJOCSA-N -1 3 348.838 3.563 20 0 EHADHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(Cl)cc2C)s1 ZINC000821465587 607237456 /nfs/dbraw/zinc/23/74/56/607237456.db2.gz JWQJZSGJSOHTCE-UHFFFAOYSA-N -1 3 347.831 3.705 20 0 EHADHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(Cl)cc2C)s1 ZINC000821465587 607237457 /nfs/dbraw/zinc/23/74/57/607237457.db2.gz JWQJZSGJSOHTCE-UHFFFAOYSA-N -1 3 347.831 3.705 20 0 EHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1coc2ccccc12 ZINC000823318955 607242631 /nfs/dbraw/zinc/24/26/31/607242631.db2.gz NWALPIKMZZVLJN-UHFFFAOYSA-N -1 3 339.742 3.519 20 0 EHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1coc2ccccc12 ZINC000823318955 607242632 /nfs/dbraw/zinc/24/26/32/607242632.db2.gz NWALPIKMZZVLJN-UHFFFAOYSA-N -1 3 339.742 3.519 20 0 EHADHM Cc1cccc([C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822288771 607243733 /nfs/dbraw/zinc/24/37/33/607243733.db2.gz JFMZEAVKBORONF-NSHDSACASA-N -1 3 341.802 3.571 20 0 EHADHM Cc1cccc([C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822288771 607243734 /nfs/dbraw/zinc/24/37/34/607243734.db2.gz JFMZEAVKBORONF-NSHDSACASA-N -1 3 341.802 3.571 20 0 EHADHM Clc1ccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000826352138 607838262 /nfs/dbraw/zinc/83/82/62/607838262.db2.gz OXXHRTZEWOCFMH-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM Clc1ccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000826352138 607838263 /nfs/dbraw/zinc/83/82/63/607838263.db2.gz OXXHRTZEWOCFMH-UHFFFAOYSA-N -1 3 336.786 3.680 20 0 EHADHM Cc1ccccc1[C@H](C)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826305524 607839663 /nfs/dbraw/zinc/83/96/63/607839663.db2.gz AAFRYKAVYRZQEO-ZDUSSCGKSA-N -1 3 330.395 3.896 20 0 EHADHM Cc1ccccc1[C@H](C)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826305524 607839664 /nfs/dbraw/zinc/83/96/64/607839664.db2.gz AAFRYKAVYRZQEO-ZDUSSCGKSA-N -1 3 330.395 3.896 20 0 EHADHM Cc1cccc(C2(C(=O)O[C@H](C)c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826296695 608182753 /nfs/dbraw/zinc/18/27/53/608182753.db2.gz GDEUYVJLNQLEGO-CQSZACIVSA-N -1 3 348.406 3.511 20 0 EHADHM Cc1cccc(C2(C(=O)O[C@H](C)c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826296695 608182754 /nfs/dbraw/zinc/18/27/54/608182754.db2.gz GDEUYVJLNQLEGO-CQSZACIVSA-N -1 3 348.406 3.511 20 0 EHADHM C[C@H]1C[C@@H]1c1ccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)o1 ZINC000824898064 608223134 /nfs/dbraw/zinc/22/31/34/608223134.db2.gz CRWSWZZXPDWBGL-NHYWBVRUSA-N -1 3 346.394 3.743 20 0 EHADHM C[C@H]1C[C@@H]1c1ccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)o1 ZINC000824898064 608223135 /nfs/dbraw/zinc/22/31/35/608223135.db2.gz CRWSWZZXPDWBGL-NHYWBVRUSA-N -1 3 346.394 3.743 20 0 EHADHM C[C@H](NC(=O)Nc1ccc(C2CC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824505828 608260051 /nfs/dbraw/zinc/26/00/51/608260051.db2.gz IAQOOUPXHSADJE-LBPRGKRZSA-N -1 3 348.410 3.627 20 0 EHADHM C[C@H](NC(=O)Nc1ccc(C2CC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824505828 608260053 /nfs/dbraw/zinc/26/00/53/608260053.db2.gz IAQOOUPXHSADJE-LBPRGKRZSA-N -1 3 348.410 3.627 20 0 EHADHM CCC[C@H](C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825234059 608303973 /nfs/dbraw/zinc/30/39/73/608303973.db2.gz VWGYODQURAWINY-AWEZNQCLSA-N -1 3 349.438 3.586 20 0 EHADHM CCC[C@H](C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825234059 608303975 /nfs/dbraw/zinc/30/39/75/608303975.db2.gz VWGYODQURAWINY-AWEZNQCLSA-N -1 3 349.438 3.586 20 0 EHADHM CCN(C(=O)[C@@H](C)C1CCCC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825363292 608344299 /nfs/dbraw/zinc/34/42/99/608344299.db2.gz WUMAJHUCUNJMDY-NSHDSACASA-N -1 3 347.850 3.699 20 0 EHADHM CCN(C(=O)[C@@H](C)C1CCCC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825363292 608344301 /nfs/dbraw/zinc/34/43/01/608344301.db2.gz WUMAJHUCUNJMDY-NSHDSACASA-N -1 3 347.850 3.699 20 0 EHADHM CCCC(C)=CC(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000825231830 608349771 /nfs/dbraw/zinc/34/97/71/608349771.db2.gz ARJUAGFOEWVJNJ-NTMALXAHSA-N -1 3 333.461 3.911 20 0 EHADHM CCCC(C)=CC(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000825231830 608349773 /nfs/dbraw/zinc/34/97/73/608349773.db2.gz ARJUAGFOEWVJNJ-NTMALXAHSA-N -1 3 333.461 3.911 20 0 EHADHM CCC/C(C)=C\C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000825231830 608349776 /nfs/dbraw/zinc/34/97/76/608349776.db2.gz ARJUAGFOEWVJNJ-NTMALXAHSA-N -1 3 333.461 3.911 20 0 EHADHM CCCC(C)=CC(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000825231829 608349989 /nfs/dbraw/zinc/34/99/89/608349989.db2.gz ARJUAGFOEWVJNJ-CSKARUKUSA-N -1 3 333.461 3.911 20 0 EHADHM CCCC(C)=CC(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000825231829 608349991 /nfs/dbraw/zinc/34/99/91/608349991.db2.gz ARJUAGFOEWVJNJ-CSKARUKUSA-N -1 3 333.461 3.911 20 0 EHADHM CCC/C(C)=C/C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000825231829 608349993 /nfs/dbraw/zinc/34/99/93/608349993.db2.gz ARJUAGFOEWVJNJ-CSKARUKUSA-N -1 3 333.461 3.911 20 0 EHADHM Fc1cccc([C@@H]2CCCN2c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000826376716 608371666 /nfs/dbraw/zinc/37/16/66/608371666.db2.gz OUSWOFMYHICUNL-HNNXBMFYSA-N -1 3 345.328 3.626 20 0 EHADHM Fc1cccc([C@@H]2CCCN2c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000826376716 608371668 /nfs/dbraw/zinc/37/16/68/608371668.db2.gz OUSWOFMYHICUNL-HNNXBMFYSA-N -1 3 345.328 3.626 20 0 EHADHM Fc1c(CNc2cc(Cl)cc(Cl)c2)cccc1-c1nnn[n-]1 ZINC000826371001 608479845 /nfs/dbraw/zinc/47/98/45/608479845.db2.gz OTFJMSKKEJIWSM-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM Fc1c(CNc2cc(Cl)cc(Cl)c2)cccc1-c1nn[n-]n1 ZINC000826371001 608479846 /nfs/dbraw/zinc/47/98/46/608479846.db2.gz OTFJMSKKEJIWSM-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM C[C@@H](NCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1Cl ZINC000824611598 608535274 /nfs/dbraw/zinc/53/52/74/608535274.db2.gz CBEANSCVQHXGES-SECBINFHSA-N -1 3 349.772 3.649 20 0 EHADHM C[C@H](NCc1cccc(-c2nnn[n-]2)c1F)c1c(F)cccc1Cl ZINC000824619698 608553241 /nfs/dbraw/zinc/55/32/41/608553241.db2.gz ZFDZWTLWPQPCPP-VIFPVBQESA-N -1 3 349.772 3.649 20 0 EHADHM C[C@H](NCc1cccc(-c2nn[n-]n2)c1F)c1c(F)cccc1Cl ZINC000824619698 608553243 /nfs/dbraw/zinc/55/32/43/608553243.db2.gz ZFDZWTLWPQPCPP-VIFPVBQESA-N -1 3 349.772 3.649 20 0 EHADHM O=Cc1c(OCc2cccc(-c3nnn[n-]3)c2F)ccc2ccccc21 ZINC000826484034 608670307 /nfs/dbraw/zinc/67/03/07/608670307.db2.gz KTOQGZZAARPUBH-UHFFFAOYSA-N -1 3 348.337 3.551 20 0 EHADHM O=Cc1c(OCc2cccc(-c3nn[n-]n3)c2F)ccc2ccccc21 ZINC000826484034 608670311 /nfs/dbraw/zinc/67/03/11/608670311.db2.gz KTOQGZZAARPUBH-UHFFFAOYSA-N -1 3 348.337 3.551 20 0 EHADHM c1nc(C2CCCC2)sc1CNc1cccc(-c2nnn[n-]2)c1 ZINC000826517097 608872987 /nfs/dbraw/zinc/87/29/87/608872987.db2.gz PZXTWOFRAGDFDB-UHFFFAOYSA-N -1 3 326.429 3.593 20 0 EHADHM c1nc(C2CCCC2)sc1CNc1cccc(-c2nn[n-]n2)c1 ZINC000826517097 608872988 /nfs/dbraw/zinc/87/29/88/608872988.db2.gz PZXTWOFRAGDFDB-UHFFFAOYSA-N -1 3 326.429 3.593 20 0 EHADHM C[C@@H](Nc1cccc(Br)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662421 609160854 /nfs/dbraw/zinc/16/08/54/609160854.db2.gz JTYDWQNXIGKMNB-SNVBAGLBSA-N -1 3 344.216 3.802 20 0 EHADHM C[C@@H](Nc1cccc(Br)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662421 609160855 /nfs/dbraw/zinc/16/08/55/609160855.db2.gz JTYDWQNXIGKMNB-SNVBAGLBSA-N -1 3 344.216 3.802 20 0 EHADHM C[C@@H](Nc1ccc(OC(F)F)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824656156 609162114 /nfs/dbraw/zinc/16/21/14/609162114.db2.gz IGJRPSFMGOKEQJ-SECBINFHSA-N -1 3 349.316 3.780 20 0 EHADHM C[C@@H](Nc1ccc(OC(F)F)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824656156 609162116 /nfs/dbraw/zinc/16/21/16/609162116.db2.gz IGJRPSFMGOKEQJ-SECBINFHSA-N -1 3 349.316 3.780 20 0 EHADHM CCc1nc2cc(N[C@H](C)c3cccc(-c4nnn[n-]4)c3)ccc2o1 ZINC000825749695 609175895 /nfs/dbraw/zinc/17/58/95/609175895.db2.gz GEHDULREQOJUBS-LLVKDONJSA-N -1 3 334.383 3.743 20 0 EHADHM CCc1nc2cc(N[C@H](C)c3cccc(-c4nn[n-]n4)c3)ccc2o1 ZINC000825749695 609175896 /nfs/dbraw/zinc/17/58/96/609175896.db2.gz GEHDULREQOJUBS-LLVKDONJSA-N -1 3 334.383 3.743 20 0 EHADHM C[C@H](Nc1ccc(Br)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824656083 609266886 /nfs/dbraw/zinc/26/68/86/609266886.db2.gz HLTBKBWRPBLRFJ-JTQLQIEISA-N -1 3 344.216 3.802 20 0 EHADHM C[C@H](Nc1ccc(Br)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824656083 609266887 /nfs/dbraw/zinc/26/68/87/609266887.db2.gz HLTBKBWRPBLRFJ-JTQLQIEISA-N -1 3 344.216 3.802 20 0 EHADHM C[C@H](SCc1ccc(Cl)cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824754631 609328924 /nfs/dbraw/zinc/32/89/24/609328924.db2.gz IVSHYMBBVJRZPY-JTQLQIEISA-N -1 3 331.832 3.910 20 0 EHADHM C[C@H](SCc1ccc(Cl)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824754631 609328926 /nfs/dbraw/zinc/32/89/26/609328926.db2.gz IVSHYMBBVJRZPY-JTQLQIEISA-N -1 3 331.832 3.910 20 0 EHADHM CCOCc1cccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000825605197 609347980 /nfs/dbraw/zinc/34/79/80/609347980.db2.gz RFTFWFVXWOKIHA-LBPRGKRZSA-N -1 3 341.390 3.715 20 0 EHADHM CCOCc1cccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000825605197 609347981 /nfs/dbraw/zinc/34/79/81/609347981.db2.gz RFTFWFVXWOKIHA-LBPRGKRZSA-N -1 3 341.390 3.715 20 0 EHADHM CC(C)Nc1cccc(F)c1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000824305982 609439087 /nfs/dbraw/zinc/43/90/87/609439087.db2.gz YRIQQEYWCXREJJ-UHFFFAOYSA-N -1 3 344.369 3.577 20 0 EHADHM CC(C)Nc1cccc(F)c1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000824305982 609439088 /nfs/dbraw/zinc/43/90/88/609439088.db2.gz YRIQQEYWCXREJJ-UHFFFAOYSA-N -1 3 344.369 3.577 20 0 EHADHM CC(C)Oc1cc(F)ccc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000824319725 609439357 /nfs/dbraw/zinc/43/93/57/609439357.db2.gz ZVPWOCJMHZCBRF-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM CC(C)Oc1cc(F)ccc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000824319725 609439359 /nfs/dbraw/zinc/43/93/59/609439359.db2.gz ZVPWOCJMHZCBRF-UHFFFAOYSA-N -1 3 345.353 3.544 20 0 EHADHM Cc1ccnc(N[C@H](C)c2cccc(OC(C)C)c2)c1-c1nnn[n-]1 ZINC000826312151 609535285 /nfs/dbraw/zinc/53/52/85/609535285.db2.gz WYCAQEFWZYKLJV-CYBMUJFWSA-N -1 3 338.415 3.530 20 0 EHADHM Cc1ccnc(N[C@H](C)c2cccc(OC(C)C)c2)c1-c1nn[n-]n1 ZINC000826312151 609535287 /nfs/dbraw/zinc/53/52/87/609535287.db2.gz WYCAQEFWZYKLJV-CYBMUJFWSA-N -1 3 338.415 3.530 20 0 EHADHM Cc1ccc2c(c1)[C@H](Nc1ncc(-c3nnn[n-]3)cc1Cl)[C@H](C)C2 ZINC000826294651 609570331 /nfs/dbraw/zinc/57/03/31/609570331.db2.gz YGQFZVDSFJJEAM-MEBBXXQBSA-N -1 3 340.818 3.569 20 0 EHADHM Cc1ccc2c(c1)[C@H](Nc1ncc(-c3nn[n-]n3)cc1Cl)[C@H](C)C2 ZINC000826294651 609570334 /nfs/dbraw/zinc/57/03/34/609570334.db2.gz YGQFZVDSFJJEAM-MEBBXXQBSA-N -1 3 340.818 3.569 20 0 EHADHM C[C@H]1CC(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C[C@H](C)C1 ZINC000824875926 609595040 /nfs/dbraw/zinc/59/50/40/609595040.db2.gz POBLCUIACGEZCY-NXEZZACHSA-N -1 3 333.823 3.531 20 0 EHADHM C[C@H]1CC(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C[C@H](C)C1 ZINC000824875926 609595041 /nfs/dbraw/zinc/59/50/41/609595041.db2.gz POBLCUIACGEZCY-NXEZZACHSA-N -1 3 333.823 3.531 20 0 EHADHM C[C@@H]1CC(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C[C@@H](C)C1 ZINC000824875927 609595111 /nfs/dbraw/zinc/59/51/11/609595111.db2.gz POBLCUIACGEZCY-UWVGGRQHSA-N -1 3 333.823 3.531 20 0 EHADHM C[C@@H]1CC(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C[C@@H](C)C1 ZINC000824875927 609595112 /nfs/dbraw/zinc/59/51/12/609595112.db2.gz POBLCUIACGEZCY-UWVGGRQHSA-N -1 3 333.823 3.531 20 0 EHADHM C[C@@H]1CC(C)(C)c2ccccc2N1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824876868 609622664 /nfs/dbraw/zinc/62/26/64/609622664.db2.gz URQVUHNGNPNUHH-CYBMUJFWSA-N -1 3 347.422 3.583 20 0 EHADHM C[C@@H]1CC(C)(C)c2ccccc2N1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824876868 609622666 /nfs/dbraw/zinc/62/26/66/609622666.db2.gz URQVUHNGNPNUHH-CYBMUJFWSA-N -1 3 347.422 3.583 20 0 EHADHM C[C@@H](C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C1CC1 ZINC000819866100 945300652 /nfs/dbraw/zinc/30/06/52/945300652.db2.gz JBTBKWHMNVJSFG-GFCCVEGCSA-N -1 3 349.394 3.644 20 0 EHADHM C[C@@H](C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C1CC1 ZINC000819866100 945300661 /nfs/dbraw/zinc/30/06/61/945300661.db2.gz JBTBKWHMNVJSFG-GFCCVEGCSA-N -1 3 349.394 3.644 20 0 EHADHM CC(C)CC1(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCC1 ZINC000820061459 945341027 /nfs/dbraw/zinc/34/10/27/945341027.db2.gz BRHMSAIBGBVGPA-UHFFFAOYSA-N -1 3 333.823 3.675 20 0 EHADHM CC(C)CC1(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCC1 ZINC000820061459 945341036 /nfs/dbraw/zinc/34/10/36/945341036.db2.gz BRHMSAIBGBVGPA-UHFFFAOYSA-N -1 3 333.823 3.675 20 0 EHADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(C2CCCC2)cc1 ZINC000463719557 944633731 /nfs/dbraw/zinc/63/37/31/944633731.db2.gz ANFPTCBLMCRYIE-UHFFFAOYSA-N -1 3 333.395 3.777 20 0 EHADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(C2CCCC2)cc1 ZINC000463719557 944633737 /nfs/dbraw/zinc/63/37/37/944633737.db2.gz ANFPTCBLMCRYIE-UHFFFAOYSA-N -1 3 333.395 3.777 20 0 EHADHM CC(C)(C)OCCCSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000824119711 946596953 /nfs/dbraw/zinc/59/69/53/946596953.db2.gz OSWCFPUZRLYGHI-UHFFFAOYSA-N -1 3 326.853 3.817 20 0 EHADHM CC(C)(C)OCCCSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000824119711 946596956 /nfs/dbraw/zinc/59/69/56/946596956.db2.gz OSWCFPUZRLYGHI-UHFFFAOYSA-N -1 3 326.853 3.817 20 0 EHADHM C[C@@H](NCc1ccccc1Cl)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824627113 946872194 /nfs/dbraw/zinc/87/21/94/946872194.db2.gz USDQYPBNPGNLSP-SNVBAGLBSA-N -1 3 331.782 3.510 20 0 EHADHM CSc1ccc(C)c(NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826230125 947674052 /nfs/dbraw/zinc/67/40/52/947674052.db2.gz FMFVCDMOAZOXNT-UHFFFAOYSA-N -1 3 329.404 3.648 20 0 EHADHM CSc1ccc(C)c(NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826230125 947674062 /nfs/dbraw/zinc/67/40/62/947674062.db2.gz FMFVCDMOAZOXNT-UHFFFAOYSA-N -1 3 329.404 3.648 20 0 EHADHM CC(=CC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC001573361631 947694287 /nfs/dbraw/zinc/69/42/87/947694287.db2.gz CZJQGDOHBBCEJM-IIANPFDCSA-N -1 3 340.408 3.636 20 0 EHADHM CC(=CC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC001573361631 947694296 /nfs/dbraw/zinc/69/42/96/947694296.db2.gz CZJQGDOHBBCEJM-IIANPFDCSA-N -1 3 340.408 3.636 20 0 EHADHM Cc1ccc([C@@H]2CCCN2c2nccc(C)c2-c2nnn[n-]2)cc1C ZINC000826286161 947824573 /nfs/dbraw/zinc/82/45/73/947824573.db2.gz UDDBTUDYCBBFOO-INIZCTEOSA-N -1 3 334.427 3.528 20 0 EHADHM Cc1ccc([C@@H]2CCCN2c2nccc(C)c2-c2nn[n-]n2)cc1C ZINC000826286161 947824582 /nfs/dbraw/zinc/82/45/82/947824582.db2.gz UDDBTUDYCBBFOO-INIZCTEOSA-N -1 3 334.427 3.528 20 0 EHADHM Cc1ccnc(N[C@H](C)c2cc3ccccc3s2)c1-c1nnn[n-]1 ZINC000826311669 947903223 /nfs/dbraw/zinc/90/32/23/947903223.db2.gz KPBDYTFVUOTHDU-LLVKDONJSA-N -1 3 336.424 3.958 20 0 EHADHM Cc1ccnc(N[C@H](C)c2cc3ccccc3s2)c1-c1nn[n-]n1 ZINC000826311669 947903231 /nfs/dbraw/zinc/90/32/31/947903231.db2.gz KPBDYTFVUOTHDU-LLVKDONJSA-N -1 3 336.424 3.958 20 0 EHADHM Cc1ccnc(N[C@@H](c2ccc(F)cc2)C2CCC2)c1-c1nnn[n-]1 ZINC000826312275 947904090 /nfs/dbraw/zinc/90/40/90/947904090.db2.gz ZXUAXJBUSBYXBQ-MRXNPFEDSA-N -1 3 338.390 3.663 20 0 EHADHM Cc1ccnc(N[C@@H](c2ccc(F)cc2)C2CCC2)c1-c1nn[n-]n1 ZINC000826312275 947904096 /nfs/dbraw/zinc/90/40/96/947904096.db2.gz ZXUAXJBUSBYXBQ-MRXNPFEDSA-N -1 3 338.390 3.663 20 0 EHADHM c1cc(NCc2ccc(-c3nnn[n-]3)cc2)cc2c1OC1(CCCC1)O2 ZINC000826514688 948440415 /nfs/dbraw/zinc/44/04/15/948440415.db2.gz ZKPPRQVOXMSGEW-UHFFFAOYSA-N -1 3 349.394 3.520 20 0 EHADHM c1cc(NCc2ccc(-c3nn[n-]n3)cc2)cc2c1OC1(CCCC1)O2 ZINC000826514688 948440420 /nfs/dbraw/zinc/44/04/20/948440420.db2.gz ZKPPRQVOXMSGEW-UHFFFAOYSA-N -1 3 349.394 3.520 20 0 EHADHM CCCc1ccc(CCCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001540505511 948549643 /nfs/dbraw/zinc/54/96/43/948549643.db2.gz HSVMFXCAOFKZEN-UHFFFAOYSA-N -1 3 349.438 3.781 20 0 EHADHM CCCc1ccc(CCCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001540505511 948549647 /nfs/dbraw/zinc/54/96/47/948549647.db2.gz HSVMFXCAOFKZEN-UHFFFAOYSA-N -1 3 349.438 3.781 20 0 EHADHM CC(C)[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1F ZINC001574079569 948769697 /nfs/dbraw/zinc/76/96/97/948769697.db2.gz KGQMFDLPRJIVME-CQSZACIVSA-N -1 3 346.797 3.863 20 0 EHADHM CC(C)[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1F ZINC001574079569 948769707 /nfs/dbraw/zinc/76/97/07/948769707.db2.gz KGQMFDLPRJIVME-CQSZACIVSA-N -1 3 346.797 3.863 20 0 EHADHM CC(C)[C@H]1CCCCCN1C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001574088161 948910125 /nfs/dbraw/zinc/91/01/25/948910125.db2.gz BGKKMFUJCMXUBN-OAHLLOKOSA-N -1 3 347.850 3.561 20 0 EHADHM CC(C)[C@H]1CCCCCN1C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001574088161 948910133 /nfs/dbraw/zinc/91/01/33/948910133.db2.gz BGKKMFUJCMXUBN-OAHLLOKOSA-N -1 3 347.850 3.561 20 0 EHADHM C[C@H](c1cccc(Br)c1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000226419831 949582692 /nfs/dbraw/zinc/58/26/92/949582692.db2.gz NCLXCEOADQZJOA-NEPJUHHUSA-N -1 3 326.234 3.697 20 0 EHADHM CC(C)(C)c1ccc(OC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC001573881915 950760880 /nfs/dbraw/zinc/76/08/80/950760880.db2.gz JJTHIRDSDHJDPY-UHFFFAOYSA-N -1 3 340.358 3.523 20 0 EHADHM CC(C)(C)c1ccc(OC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC001573881915 950760894 /nfs/dbraw/zinc/76/08/94/950760894.db2.gz JJTHIRDSDHJDPY-UHFFFAOYSA-N -1 3 340.358 3.523 20 0 EHADHM CC(C)CCCCCCNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001574195521 950995170 /nfs/dbraw/zinc/99/51/70/950995170.db2.gz QUIFPQBWUCRLOB-SEYXRHQNSA-N -1 3 341.459 3.603 20 0 EHADHM CC(C)CCCCCCNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001574195521 950995187 /nfs/dbraw/zinc/99/51/87/950995187.db2.gz QUIFPQBWUCRLOB-SEYXRHQNSA-N -1 3 341.459 3.603 20 0 EHADHM CC(C)(C)CC[C@@H](NCc1cc(O)ccc1Br)C(=O)[O-] ZINC000414663747 953407759 /nfs/dbraw/zinc/40/77/59/953407759.db2.gz SHLSTADYDGQETN-CYBMUJFWSA-N -1 3 344.249 3.524 20 0 EHADHM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000422636184 953426915 /nfs/dbraw/zinc/42/69/15/953426915.db2.gz OSTANPFNKYAAOY-DOMZBBRYSA-N -1 3 337.847 3.671 20 0 EHADHM C[C@@](NCc1ccc2ccc(F)c(F)c2n1)(C(=O)[O-])c1ccccc1 ZINC001589131659 956199511 /nfs/dbraw/zinc/19/95/11/956199511.db2.gz ZMDDODAHMPRPHE-IBGZPJMESA-N -1 3 342.345 3.603 20 0 EHADHM Cc1cccc(CN(CC(=O)[O-])CC(C)(C)C)c1Br ZINC000903706936 956901904 /nfs/dbraw/zinc/90/19/04/956901904.db2.gz OYDMANIFCNLGAK-UHFFFAOYSA-N -1 3 328.250 3.690 20 0 EHADHM COc1cc(CNCc2ccc(C(=O)[O-])cc2)cc(C(F)(F)F)c1 ZINC001594058272 958058393 /nfs/dbraw/zinc/05/83/93/958058393.db2.gz JQQGMIRWSBLOQO-UHFFFAOYSA-N -1 3 339.313 3.702 20 0 EHADHM CC(=O)Nc1cccc([C@H](C)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001588520060 958825893 /nfs/dbraw/zinc/82/58/93/958825893.db2.gz AGKIRZQDUCAWKT-YXKWSERDSA-N -1 3 338.407 3.609 20 0 EHADHM Cc1ccc(CN2CCC(CCC(=O)[O-])CC2)c(Br)c1 ZINC000161768111 959191740 /nfs/dbraw/zinc/19/17/40/959191740.db2.gz UGGCSKYCYFFKCL-UHFFFAOYSA-N -1 3 340.261 3.834 20 0 EHADHM CCc1cnc(CN(CC)Cc2cc(Br)ccc2[O-])o1 ZINC000076118572 1125475184 /nfs/dbraw/zinc/47/51/84/1125475184.db2.gz KUFIWFKSZUGRMP-UHFFFAOYSA-N -1 3 339.233 3.727 20 0 EHADHM Cc1nc(F)ccc1CN1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001574421004 961341914 /nfs/dbraw/zinc/34/19/14/961341914.db2.gz AIPJJWGPJXDFAA-UHFFFAOYSA-N -1 3 328.387 3.607 20 0 EHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cscc2Br)C1 ZINC000302691414 963100966 /nfs/dbraw/zinc/10/09/66/963100966.db2.gz SQYKGXTUVRZVGG-LLVKDONJSA-N -1 3 346.290 3.833 20 0 EHADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)[C@H](C)c3ccccc3)nc2)n1 ZINC000080688184 1032073404 /nfs/dbraw/zinc/07/34/04/1032073404.db2.gz AHXPBZIVHYLROK-GJZGRUSLSA-N -1 3 348.450 3.998 20 0 EHADHM O=C([O-])c1cccc(NC(=O)c2cccc(CN3CCCCC3)c2)c1 ZINC000909084718 969619828 /nfs/dbraw/zinc/61/98/28/969619828.db2.gz VOTFXGDXRMMQOI-UHFFFAOYSA-N -1 3 338.407 3.623 20 0 EHADHM O=C([O-])[C@]1(C(F)(F)F)CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000320160528 970622785 /nfs/dbraw/zinc/62/27/85/970622785.db2.gz ATFXRISDRWALEL-LBPRGKRZSA-N -1 3 341.251 3.544 20 0 EHADHM C[C@@H]1CCN(Cc2ccc(Oc3ccc(F)cc3)nc2)C[C@@H]1C(=O)[O-] ZINC001603429707 973167760 /nfs/dbraw/zinc/16/77/60/973167760.db2.gz FGGPAANCDRASEB-DYVFJYSZSA-N -1 3 344.386 3.556 20 0 EHADHM CC[C@H](NCCOc1ccccc1C(=O)[O-])c1cc(F)ccc1OC ZINC001603585550 973752502 /nfs/dbraw/zinc/75/25/02/973752502.db2.gz GNEKLHSYLYMLPZ-INIZCTEOSA-N -1 3 347.386 3.652 20 0 EHADHM O=C([O-])[C@H](Cc1ccccc1)NCc1csc(-c2ccsc2)n1 ZINC000426682122 974044105 /nfs/dbraw/zinc/04/41/05/974044105.db2.gz FSVGBVFYERUBDW-HNNXBMFYSA-N -1 3 344.461 3.657 20 0 EHADHM CCOc1cc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)ccc1OC ZINC000426747947 974045221 /nfs/dbraw/zinc/04/52/21/974045221.db2.gz SZTNXQMHRWJAOC-LJQANCHMSA-N -1 3 343.423 3.626 20 0 EHADHM C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000516188455 974304675 /nfs/dbraw/zinc/30/46/75/974304675.db2.gz DJYFFTNZUOAMOO-XOBRGWDASA-N -1 3 342.439 3.761 20 0 EHADHM CCOC[C@@H]1CCCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000521446886 974344834 /nfs/dbraw/zinc/34/48/34/974344834.db2.gz QPMLQZSQBZVPJZ-IAQYHMDHSA-N -1 3 346.254 3.868 20 0 EHADHM CCCCO[C@H]1C[C@@H](N(C)Cc2ccc(C(=O)[O-])cc2F)C1(C)C ZINC000563281975 974525840 /nfs/dbraw/zinc/52/58/40/974525840.db2.gz GYUYUXFCCCVZRC-SJORKVTESA-N -1 3 337.435 3.940 20 0 EHADHM O=C([O-])[C@@]1(C(F)(F)F)CCN([C@H]2CCc3c2cccc3Cl)C1 ZINC000563290784 974529727 /nfs/dbraw/zinc/52/97/27/974529727.db2.gz UGOAZTHUYSBJEK-GXTWGEPZSA-N -1 3 333.737 3.666 20 0 EHADHM CS[C@@H]1CCCCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000564092242 974543937 /nfs/dbraw/zinc/54/39/37/974543937.db2.gz HOVLRCOJXAXLAW-QMTHXVAHSA-N -1 3 331.840 3.822 20 0 EHADHM CCc1nc2c(s1)[C@@H](N(C)Cc1ccccc1C(=O)[O-])CCC2 ZINC000566073688 974593592 /nfs/dbraw/zinc/59/35/92/974593592.db2.gz IKPTVWGJVXHYPR-HNNXBMFYSA-N -1 3 330.453 3.913 20 0 EHADHM Cc1ccc(C(=O)C2CCN([C@@H](C(=O)[O-])c3ccsc3)CC2)cc1 ZINC000566358188 974607203 /nfs/dbraw/zinc/60/72/03/974607203.db2.gz SSDGGEVUJHLTJN-QGZVFWFLSA-N -1 3 343.448 3.777 20 0 EHADHM Cc1cc(CN2CCC(COc3ccccc3)CC2)oc1C(=O)[O-] ZINC000566357933 974607675 /nfs/dbraw/zinc/60/76/75/974607675.db2.gz ATJXABZJBFTDFP-UHFFFAOYSA-N -1 3 329.396 3.577 20 0 EHADHM O=C([O-])c1ccoc1CN1CCC(Cc2c(F)cccc2F)CC1 ZINC000580097901 974888969 /nfs/dbraw/zinc/88/89/69/974888969.db2.gz KRQGTMSNBIIUAE-UHFFFAOYSA-N -1 3 335.350 3.711 20 0 EHADHM O=C([O-])[C@@H]1CN(CCCSCc2ccccc2)Cc2ccccc21 ZINC000593743479 974986426 /nfs/dbraw/zinc/98/64/26/974986426.db2.gz DXKUTHNZTZPQLW-LJQANCHMSA-N -1 3 341.476 3.994 20 0 EHADHM COc1ccc([C@H]2CCN([C@H](C)c3cc(C)c(C(=O)[O-])o3)C2)cc1F ZINC000629375594 975090511 /nfs/dbraw/zinc/09/05/11/975090511.db2.gz JQVMFQUMNUWVKW-OCCSQVGLSA-N -1 3 347.386 3.984 20 0 EHADHM O=C([O-])c1cccc(CNCc2ccc(Cl)c3cccnc23)c1 ZINC000683176113 976079780 /nfs/dbraw/zinc/07/97/80/976079780.db2.gz HHZBCAGPWSMXLN-UHFFFAOYSA-N -1 3 326.783 3.876 20 0 EHADHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)N=c2cc3ccccn3[n-]2)C1 ZINC000579749987 1014369824 /nfs/dbraw/zinc/36/98/24/1014369824.db2.gz QUBXNHMCRXLHOP-CXAGYDPISA-N -1 3 338.386 3.510 20 0 EHADHM CC(C)C1CC(NCc2ccc(C(=O)[O-])cc2Br)C1 ZINC000714623581 977676188 /nfs/dbraw/zinc/67/61/88/977676188.db2.gz GIWMZIRJBYVJFG-UHFFFAOYSA-N -1 3 326.234 3.672 20 0 EHADHM C[C@@](CC(=O)[O-])(NCc1ccccc1C(F)(F)F)c1ccncc1 ZINC001592328621 977748499 /nfs/dbraw/zinc/74/84/99/977748499.db2.gz NIPGTDSQYJCMKJ-INIZCTEOSA-N -1 3 338.329 3.580 20 0 EHADHM Cc1oc2ncnc([N-]C(=O)c3cc(-c4ccccc4)on3)c2c1C ZINC000118199325 1032091663 /nfs/dbraw/zinc/09/16/63/1032091663.db2.gz ISNLWJOBULFDSB-UHFFFAOYSA-N -1 3 334.335 3.747 20 0 EHADHM CC(C)(C)c1cnc(CN[C@@H](CC(=O)[O-])Cc2ccccc2)s1 ZINC000841800190 979312219 /nfs/dbraw/zinc/31/22/19/979312219.db2.gz IPTZUZWVKZFBGL-CQSZACIVSA-N -1 3 332.469 3.616 20 0 EHADHM O=C([O-])Cc1ccccc1CN1CC=C(c2ccc(F)cc2)CC1 ZINC000846233446 979414936 /nfs/dbraw/zinc/41/49/36/979414936.db2.gz LLIXXGBADFJPJK-UHFFFAOYSA-N -1 3 325.383 3.742 20 0 EHADHM C[C@@H]1C[C@]1(NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(Cl)cc1 ZINC000459436484 1032096077 /nfs/dbraw/zinc/09/60/77/1032096077.db2.gz QNNBIUGEXANZCH-ADLMAVQZSA-N -1 3 329.831 3.738 20 0 EHADHM O=C([O-])C[C@H](NCc1cccc(OC2CCCC2)c1)c1ccncc1 ZINC000584302340 1032098403 /nfs/dbraw/zinc/09/84/03/1032098403.db2.gz ASCBPJHCEMFVIX-IBGZPJMESA-N -1 3 340.423 3.709 20 0 EHADHM CCO[C@H]1CCCN(Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1 ZINC000901415119 980260457 /nfs/dbraw/zinc/26/04/57/980260457.db2.gz FBTAIOPQTQMMDD-INIZCTEOSA-N -1 3 329.396 3.646 20 0 EHADHM CC[C@H](N[C@@H](C(=O)[O-])c1cccc(OC)c1)c1ccccc1OC ZINC001595276124 980299324 /nfs/dbraw/zinc/29/93/24/980299324.db2.gz DBDBYWDEKMMCHU-FUHWJXTLSA-N -1 3 329.396 3.570 20 0 EHADHM O=C([O-])CCCN(Cc1scnc1C1CC1)Cc1ccccc1 ZINC000901801887 980527716 /nfs/dbraw/zinc/52/77/16/980527716.db2.gz VIUVIQDKIYGGBN-UHFFFAOYSA-N -1 3 330.453 3.888 20 0 EHADHM CC[C@@H](c1cccc(OC)c1)N(C)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001595360430 980751886 /nfs/dbraw/zinc/75/18/86/980751886.db2.gz WSLOIXMIMXCEEM-ZGKFYVQTSA-N -1 3 329.396 3.969 20 0 EHADHM CCOc1ccc(CNCc2ccc(C(=O)[O-])c(Cl)c2)cc1OC ZINC000902141839 980753733 /nfs/dbraw/zinc/75/37/33/980753733.db2.gz AWPXGBNHUQHIRQ-UHFFFAOYSA-N -1 3 349.814 3.735 20 0 EHADHM CN(Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)C[C@@H]1CCCCO1 ZINC000902168627 980766072 /nfs/dbraw/zinc/76/60/72/980766072.db2.gz UYGZYPVOIXGNTL-INIZCTEOSA-N -1 3 329.396 3.646 20 0 EHADHM O=C([O-])/C=C\c1ccc(CN2CCC(OCC3CCCCC3)CC2)o1 ZINC000902197180 980778719 /nfs/dbraw/zinc/77/87/19/980778719.db2.gz ZYGADNBSECKLJG-HJWRWDBZSA-N -1 3 347.455 3.939 20 0 EHADHM CCC[C@@H](CNCc1ccc(-c2ccc(C(=O)[O-])cc2)o1)OCC ZINC000902275709 980813673 /nfs/dbraw/zinc/81/36/73/980813673.db2.gz FDGXPIZDXHGVQN-INIZCTEOSA-N -1 3 331.412 3.940 20 0 EHADHM O=C([O-])/C=C/c1ccc(CN(CCc2cccc(F)c2)C2CC2)o1 ZINC000902517217 980917499 /nfs/dbraw/zinc/91/74/99/980917499.db2.gz CTCLGZBFMOHBBO-CMDGGOBGSA-N -1 3 329.371 3.724 20 0 EHADHM Cc1cc(CN2CCC(c3c[nH]c4ccc(C(=O)[O-])cc43)CC2)on1 ZINC000902569545 980938165 /nfs/dbraw/zinc/93/81/65/980938165.db2.gz RLRLVJJGWHYKOQ-UHFFFAOYSA-N -1 3 339.395 3.542 20 0 EHADHM CCC1(c2ccc(Cl)cc2)CCN(Cc2oncc2C(=O)[O-])CC1 ZINC001595397314 980964364 /nfs/dbraw/zinc/96/43/64/980964364.db2.gz JVOWGCBRKIHWCK-UHFFFAOYSA-N -1 3 348.830 3.970 20 0 EHADHM Cc1ccc(C2(C(=O)Nc3cccc([O-])c3F)CCOCC2)cc1C ZINC000654970744 1014698773 /nfs/dbraw/zinc/69/87/73/1014698773.db2.gz LHJSFOQLAMZVMH-UHFFFAOYSA-N -1 3 343.398 3.835 20 0 EHADHM CC(C)N(Cc1cc(C(=O)[O-])ccc1Br)CC1CC1 ZINC000903888115 981021151 /nfs/dbraw/zinc/02/11/51/981021151.db2.gz 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333.359 3.827 20 0 EHADHM C[C@@H]1CCc2c(sc3ncnc(NCc4ncccc4[O-])c32)C1 ZINC000684596720 1023625711 /nfs/dbraw/zinc/62/57/11/1023625711.db2.gz WYNFKGJEKLLFMX-SNVBAGLBSA-N -1 3 326.425 3.529 20 0 EHADHM COc1cc(CN[C@H](CC(=O)[O-])c2ccsc2)ccc1SC ZINC000276988369 1023666794 /nfs/dbraw/zinc/66/67/94/1023666794.db2.gz JKHHDRNWGOKJJV-CYBMUJFWSA-N -1 3 337.466 3.784 20 0 EHADHM CC(C)c1c([N-]S(=O)(=O)CCC2CC2)cnn1-c1ccccc1 ZINC000277047148 1023722625 /nfs/dbraw/zinc/72/26/25/1023722625.db2.gz MVPNUMDDRDKHRD-UHFFFAOYSA-N -1 3 333.457 3.538 20 0 EHADHM Cc1coc(-c2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc2C)n1 ZINC000150804682 1023954784 /nfs/dbraw/zinc/95/47/84/1023954784.db2.gz SYYLXCIZXXEXQP-UHFFFAOYSA-N -1 3 346.383 3.898 20 0 EHADHM C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000192510378 1024050514 /nfs/dbraw/zinc/05/05/14/1024050514.db2.gz KMISBWRJKHXIQW-GFCCVEGCSA-N -1 3 348.362 3.624 20 0 EHADHM Cc1cccc(C(=O)Nc2ccc(C(=O)NCC(C)C)cc2C)c1[O-] ZINC000215755238 1024061328 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MVXQOVOFXHFUEI-CQSZACIVSA-N -1 3 344.436 3.813 20 0 EHADHM COc1cc(-c2noc(-c3cc4ccccc4cc3[O-])n2)ccc1O ZINC000327465694 1024948916 /nfs/dbraw/zinc/94/89/16/1024948916.db2.gz XSLPEKBWWCRLTL-UHFFFAOYSA-N -1 3 334.331 3.977 20 0 EHADHM CCc1ccc(C(=O)N2CCC(Nc3cccc(C)c3)CC2)c([O-])c1 ZINC000191756571 1025009947 /nfs/dbraw/zinc/00/99/47/1025009947.db2.gz VHETUKGPXQWRJG-UHFFFAOYSA-N -1 3 338.451 3.980 20 0 EHADHM Cc1c(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cnc2ccccc12 ZINC000435678418 1025063503 /nfs/dbraw/zinc/06/35/03/1025063503.db2.gz PEEPRRCFXSNPLD-UHFFFAOYSA-N -1 3 328.375 3.608 20 0 EHADHM COc1cccc([C@H](CC(=O)[O-])NCc2cc(C)ccc2C)c1OC ZINC000277434816 1025089886 /nfs/dbraw/zinc/08/98/86/1025089886.db2.gz UEQOFASDJPMEFO-KRWDZBQOSA-N -1 3 343.423 3.626 20 0 EHADHM Cc1cc(C(=O)[N-]c2c(F)cc(Br)cc2F)ns1 ZINC000435813672 1025164853 /nfs/dbraw/zinc/16/48/53/1025164853.db2.gz LKEUIQLSEBAYFH-UHFFFAOYSA-N -1 3 333.157 3.745 20 0 EHADHM COc1ccc(C(=O)N2CCSC[C@@H]2c2ccc(C)cc2)c([O-])c1 ZINC000116135236 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O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CC[C@H](c2ccccc2F)C1 ZINC000451384787 1025885808 /nfs/dbraw/zinc/88/58/08/1025885808.db2.gz PVYWAUNLXMHLHQ-UONOGXRCSA-N -1 3 331.362 3.665 20 0 EHADHM CC(C)c1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)c([O-])c1 ZINC000436565321 1025893136 /nfs/dbraw/zinc/89/31/36/1025893136.db2.gz IUTQRYNSTRVLGK-CVEARBPZSA-N -1 3 349.496 3.642 20 0 EHADHM Cc1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c(C)c1O ZINC000436586662 1025928317 /nfs/dbraw/zinc/92/83/17/1025928317.db2.gz UGARAKCSHDRVQQ-UHFFFAOYSA-N -1 3 327.380 3.680 20 0 EHADHM CCc1noc(-c2ccc(C)c(NC(=O)c3cccc(C)c3[O-])c2)n1 ZINC000436590813 1025929577 /nfs/dbraw/zinc/92/95/77/1025929577.db2.gz UKJQJMRGKPEXRP-UHFFFAOYSA-N -1 3 337.379 3.874 20 0 EHADHM CC(C)C[C@H](CNC(=O)c1ccccc1[O-])CC(=O)OC(C)(C)C ZINC001167566751 1025964357 /nfs/dbraw/zinc/96/43/57/1025964357.db2.gz IEIZPPRGTHXXCV-AWEZNQCLSA-N -1 3 335.444 3.516 20 0 EHADHM Cc1cccc(C(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)c1[O-] ZINC000436620981 1025971417 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338.860 3.511 20 0 EHADHM Cc1nc(-c2ccccc2)c(NC(=O)c2cccc3n[n-]nc32)s1 ZINC000525864061 1030180082 /nfs/dbraw/zinc/18/00/82/1030180082.db2.gz JXTQOTFBGRWQBC-UHFFFAOYSA-N -1 3 335.392 3.642 20 0 EHADHM CC(C)(C)CCCNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000531974646 1030185440 /nfs/dbraw/zinc/18/54/40/1030185440.db2.gz CZMJRUZECPPXKF-UHFFFAOYSA-N -1 3 343.265 3.780 20 0 EHADHM CCc1nnc([N-]C(=O)c2csc(-c3ccccc3C)n2)s1 ZINC000066268972 1030260104 /nfs/dbraw/zinc/26/01/04/1030260104.db2.gz SJPHPEHGGWDKDK-UHFFFAOYSA-N -1 3 330.438 3.785 20 0 EHADHM CC(=O)c1ccc(C(=O)Nc2c(F)cccc2N2CCCC2)cc1[O-] ZINC000668021455 1030370671 /nfs/dbraw/zinc/37/06/71/1030370671.db2.gz IYKNOAPYUHDQDM-UHFFFAOYSA-N -1 3 342.370 3.586 20 0 EHADHM CN(C)[C@H](CNCc1c(F)ccc([O-])c1F)c1ccccc1Cl ZINC000509652742 1030374552 /nfs/dbraw/zinc/37/45/52/1030374552.db2.gz PADAHRDMMVKTBO-OAHLLOKOSA-N -1 3 340.801 3.716 20 0 EHADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@@H]3CC[C@@H](C)C3)c2)n1 ZINC000121994445 1030464232 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CC[C@@H]1CCCC[C@@H]1C(=O)OCc1nnc(-c2ccccc2[O-])o1 ZINC000884485733 1137961100 /nfs/dbraw/zinc/96/11/00/1137961100.db2.gz GATVZROSARBXJT-OLZOCXBDSA-N -1 3 330.384 3.702 20 0 EHADHM O=C(Nc1ncccc1[O-])c1cc(-c2ccco2)nc2ccccc21 ZINC000215656340 1137962316 /nfs/dbraw/zinc/96/23/16/1137962316.db2.gz JRKWPYDGHMOCDC-UHFFFAOYSA-N -1 3 331.331 3.848 20 0 EHADHM CCc1cc2c(CN(CC(F)F)C(C)C)cc(=O)oc2cc1[O-] ZINC000135401083 1137968544 /nfs/dbraw/zinc/96/85/44/1137968544.db2.gz UUYXZUQBYRNYKM-UHFFFAOYSA-N -1 3 325.355 3.537 20 0 EHADHM CC[C@H]1CCC[C@]1(C)C(=O)OCc1nnc(-c2ccccc2[O-])o1 ZINC000885061441 1137981888 /nfs/dbraw/zinc/98/18/88/1137981888.db2.gz NTFIAWYKMSELEI-SGTLLEGYSA-N -1 3 330.384 3.702 20 0 EHADHM CC(C)(C)c1nc(C(=O)[N-]c2nnc(-c3ccco3)s2)cs1 ZINC000263663924 1138338902 /nfs/dbraw/zinc/33/89/02/1138338902.db2.gz KMVPGZIVFZASBK-UHFFFAOYSA-N -1 3 334.426 3.804 20 0 EHADHM Cc1cccc(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1 ZINC000337111761 1138468413 /nfs/dbraw/zinc/46/84/13/1138468413.db2.gz 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C[C@H](CC(=O)[N-]OCc1cccnc1)c1ccc(Br)cc1 ZINC000152436656 1139090782 /nfs/dbraw/zinc/09/07/82/1139090782.db2.gz UJCKDQCGSJUODZ-GFCCVEGCSA-N -1 3 349.228 3.586 20 0 EHADHM O=C(Nc1ccc(Cl)cc1[O-])C1(c2cccc(F)c2)CCOCC1 ZINC000179640768 1139771267 /nfs/dbraw/zinc/77/12/67/1139771267.db2.gz JFRXIUOEQDDMBX-UHFFFAOYSA-N -1 3 349.789 3.872 20 0 EHADHM CCc1ccc(C(=O)N2CCC[C@H]2c2ccc(COC)o2)c([O-])c1 ZINC000189805375 1140364683 /nfs/dbraw/zinc/36/46/83/1140364683.db2.gz AXLUBYJJAWLBRH-INIZCTEOSA-N -1 3 329.396 3.671 20 0 EHADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cccc(Cl)c1Br ZINC000191728264 1140481912 /nfs/dbraw/zinc/48/19/12/1140481912.db2.gz UVHABOWGOUNZTH-JTQLQIEISA-N -1 3 349.612 3.682 20 0 EHADHM O=C([N-]O[C@H]1CCCCO1)Nc1cccc(Cl)c1Br ZINC000191728264 1140481913 /nfs/dbraw/zinc/48/19/13/1140481913.db2.gz UVHABOWGOUNZTH-JTQLQIEISA-N -1 3 349.612 3.682 20 0 EHADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(OC)cc(OC)c2)CC)n1 ZINC000193618356 1140580652 /nfs/dbraw/zinc/58/06/52/1140580652.db2.gz JVVPDCHUCJLXPQ-RIYZIHGNSA-N 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CSCCc1ccc(Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737180528 598940887 /nfs/dbraw/zinc/94/08/87/598940887.db2.gz BNORECXINKIWAU-UHFFFAOYSA-N -1 3 346.847 3.564 20 0 EHADHM CSCCc1ccc(Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737180528 598940888 /nfs/dbraw/zinc/94/08/88/598940888.db2.gz BNORECXINKIWAU-UHFFFAOYSA-N -1 3 346.847 3.564 20 0 EHADHM CC[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000736371528 598975394 /nfs/dbraw/zinc/97/53/94/598975394.db2.gz VUONMDSVCCKIOU-CYBMUJFWSA-N -1 3 333.317 3.847 20 0 EHADHM CC[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)c1cc(F)ccc1F ZINC000736371528 598975396 /nfs/dbraw/zinc/97/53/96/598975396.db2.gz VUONMDSVCCKIOU-CYBMUJFWSA-N -1 3 333.317 3.847 20 0 EHADHM CC[C@@H]1CCC[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000736398437 598973937 /nfs/dbraw/zinc/97/39/37/598973937.db2.gz AEVOVAVFQGBFIL-NXEZZACHSA-N -1 3 340.353 3.661 20 0 EHADHM CC[C@@H]1CCC[C@@H](Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000736398437 598973939 /nfs/dbraw/zinc/97/39/39/598973939.db2.gz AEVOVAVFQGBFIL-NXEZZACHSA-N -1 3 340.353 3.661 20 0 EHADHM C[C@@H](CNc1ccc(Cl)cc1-c1nnn[n-]1)Oc1cccc(F)c1 ZINC000820280468 599058713 /nfs/dbraw/zinc/05/87/13/599058713.db2.gz HBVFSTUAKHQBRK-JTQLQIEISA-N -1 3 347.781 3.539 20 0 EHADHM C[C@@H](CNc1ccc(Cl)cc1-c1nn[n-]n1)Oc1cccc(F)c1 ZINC000820280468 599058714 /nfs/dbraw/zinc/05/87/14/599058714.db2.gz HBVFSTUAKHQBRK-JTQLQIEISA-N -1 3 347.781 3.539 20 0 EHADHM CCc1c(C)sc(NC(=O)[C@H]2CCC[C@H](C)C2)c1-c1nnn[n-]1 ZINC000736669739 599072116 /nfs/dbraw/zinc/07/21/16/599072116.db2.gz IZBHHIKTUIQGPJ-ONGXEEELSA-N -1 3 333.461 3.564 20 0 EHADHM CCc1c(C)sc(NC(=O)[C@H]2CCC[C@H](C)C2)c1-c1nn[n-]n1 ZINC000736669739 599072119 /nfs/dbraw/zinc/07/21/19/599072119.db2.gz IZBHHIKTUIQGPJ-ONGXEEELSA-N -1 3 333.461 3.564 20 0 EHADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)Oc1ccc(Cl)cc1 ZINC000820280297 599091334 /nfs/dbraw/zinc/09/13/34/599091334.db2.gz DAGMQGMLZLODEI-JTQLQIEISA-N -1 3 347.781 3.539 20 0 EHADHM C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)Oc1ccc(Cl)cc1 ZINC000820280297 599091337 /nfs/dbraw/zinc/09/13/37/599091337.db2.gz DAGMQGMLZLODEI-JTQLQIEISA-N -1 3 347.781 3.539 20 0 EHADHM COc1ccccc1[C@@H](C)SCc1cccc(-c2nnn[n-]2)c1 ZINC000821882484 599128541 /nfs/dbraw/zinc/12/85/41/599128541.db2.gz CATCSOXZFOCONN-GFCCVEGCSA-N -1 3 326.425 3.870 20 0 EHADHM COc1ccccc1[C@@H](C)SCc1cccc(-c2nn[n-]n2)c1 ZINC000821882484 599128542 /nfs/dbraw/zinc/12/85/42/599128542.db2.gz CATCSOXZFOCONN-GFCCVEGCSA-N -1 3 326.425 3.870 20 0 EHADHM CCCCC[C@@H](C)CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821048366 599137332 /nfs/dbraw/zinc/13/73/32/599137332.db2.gz BNSLDNNQXKLVQJ-KGLIPLIRSA-N -1 3 329.448 3.650 20 0 EHADHM CCCCC[C@@H](C)CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821048366 599137334 /nfs/dbraw/zinc/13/73/34/599137334.db2.gz BNSLDNNQXKLVQJ-KGLIPLIRSA-N -1 3 329.448 3.650 20 0 EHADHM O=C(/C=C/C1CC1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822921934 599154637 /nfs/dbraw/zinc/15/46/37/599154637.db2.gz APVGLAZHVZSKOY-IZZDOVSWSA-N -1 3 347.378 3.564 20 0 EHADHM O=C(/C=C/C1CC1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822921934 599154639 /nfs/dbraw/zinc/15/46/39/599154639.db2.gz APVGLAZHVZSKOY-IZZDOVSWSA-N -1 3 347.378 3.564 20 0 EHADHM CCCCCC[C@H](C)CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821051031 599181042 /nfs/dbraw/zinc/18/10/42/599181042.db2.gz XHCKWVPMCMYNSV-ZDUSSCGKSA-N -1 3 347.438 3.619 20 0 EHADHM CCCCCC[C@H](C)CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821051031 599181044 /nfs/dbraw/zinc/18/10/44/599181044.db2.gz XHCKWVPMCMYNSV-ZDUSSCGKSA-N -1 3 347.438 3.619 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000737290968 599187507 /nfs/dbraw/zinc/18/75/07/599187507.db2.gz ZLEJMZVXILXNEX-LLVKDONJSA-N -1 3 341.802 3.571 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000737290968 599187508 /nfs/dbraw/zinc/18/75/08/599187508.db2.gz ZLEJMZVXILXNEX-LLVKDONJSA-N -1 3 341.802 3.571 20 0 EHADHM O=C([O-])c1ccc(CNCc2ccc(OCc3ccccn3)cc2)cc1 ZINC000426691285 597135305 /nfs/dbraw/zinc/13/53/05/597135305.db2.gz HARFATXCFGSQQU-UHFFFAOYSA-N -1 3 348.402 3.649 20 0 EHADHM Cc1c(NC(=O)c2cccc3ccccc32)cccc1-c1nnn[n-]1 ZINC000822116234 607295294 /nfs/dbraw/zinc/29/52/94/607295294.db2.gz OLJSZADRYKLZBB-UHFFFAOYSA-N -1 3 329.363 3.581 20 0 EHADHM Cc1c(NC(=O)c2cccc3ccccc32)cccc1-c1nn[n-]n1 ZINC000822116234 607295295 /nfs/dbraw/zinc/29/52/95/607295295.db2.gz OLJSZADRYKLZBB-UHFFFAOYSA-N -1 3 329.363 3.581 20 0 EHADHM Clc1cc2cccnc2c(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000822567741 607311661 /nfs/dbraw/zinc/31/16/61/607311661.db2.gz GBZAESRLWPTPIF-UHFFFAOYSA-N -1 3 342.815 3.742 20 0 EHADHM C[C@@H](Nc1nc(C(F)(F)F)cs1)c1cccc(-c2nnn[n-]2)c1 ZINC000820462569 607304482 /nfs/dbraw/zinc/30/44/82/607304482.db2.gz YRSYTPZSCALRRQ-SSDOTTSWSA-N -1 3 340.334 3.515 20 0 EHADHM C[C@@H](Nc1nc(C(F)(F)F)cs1)c1cccc(-c2nn[n-]n2)c1 ZINC000820462569 607304483 /nfs/dbraw/zinc/30/44/83/607304483.db2.gz YRSYTPZSCALRRQ-SSDOTTSWSA-N -1 3 340.334 3.515 20 0 EHADHM CC[C@H](NC1CCC(C(=O)[O-])CC1)c1nc(C(F)(F)F)cs1 ZINC000820284797 598115474 /nfs/dbraw/zinc/11/54/74/598115474.db2.gz CEFZIWOKGMWGHL-RTBKNWGFSA-N -1 3 336.379 3.846 20 0 EHADHM O=C([O-])c1cccc(CNCc2cccc(OCc3ccccn3)c2)c1 ZINC000821552788 598194586 /nfs/dbraw/zinc/19/45/86/598194586.db2.gz RXVOXRNYHALEOF-UHFFFAOYSA-N -1 3 348.402 3.649 20 0 EHADHM FC(F)(F)c1ccccc1[C@@H]1C[C@H]1Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737635868 598245652 /nfs/dbraw/zinc/24/56/52/598245652.db2.gz OFCUHXWUZOXTMD-DZGCQCFKSA-N -1 3 345.328 3.854 20 0 EHADHM CCc1cccc2c1OCC[C@H]2Nc1ccc(-c2nn[n-]n2)cc1F ZINC000736694762 598248177 /nfs/dbraw/zinc/24/81/77/598248177.db2.gz BRZMNEYVASEUKN-OAHLLOKOSA-N -1 3 339.374 3.504 20 0 EHADHM COc1cccc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)c1 ZINC000737133312 598274105 /nfs/dbraw/zinc/27/41/05/598274105.db2.gz ZRFVCAXXPWCIAO-UHFFFAOYSA-N -1 3 349.316 3.506 20 0 EHADHM CC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC000736400953 598276312 /nfs/dbraw/zinc/27/63/12/598276312.db2.gz FOIUQNPATZEXBH-SNVBAGLBSA-N -1 3 325.338 3.512 20 0 EHADHM CCc1c(C)sc(NC(=O)C[C@H](CC)C(C)C)c1-c1nnn[n-]1 ZINC000736669269 598283115 /nfs/dbraw/zinc/28/31/15/598283115.db2.gz BRSSAWWZLUMRKJ-NSHDSACASA-N -1 3 335.477 3.810 20 0 EHADHM CCc1c(C)sc(NC(=O)C[C@H](CC)C(C)C)c1-c1nn[n-]n1 ZINC000736669269 598283116 /nfs/dbraw/zinc/28/31/16/598283116.db2.gz BRSSAWWZLUMRKJ-NSHDSACASA-N -1 3 335.477 3.810 20 0 EHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc(C(F)F)cc1 ZINC000738164310 598326440 /nfs/dbraw/zinc/32/64/40/598326440.db2.gz VAKOXNPAFCECBO-UHFFFAOYSA-N -1 3 349.728 3.710 20 0 EHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc(C(F)F)cc1 ZINC000738164310 598326442 /nfs/dbraw/zinc/32/64/42/598326442.db2.gz VAKOXNPAFCECBO-UHFFFAOYSA-N -1 3 349.728 3.710 20 0 EHADHM CC(C)(C)c1ccccc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819959090 607350489 /nfs/dbraw/zinc/35/04/89/607350489.db2.gz XUOHGYOAVUEHKG-UHFFFAOYSA-N -1 3 339.374 3.556 20 0 EHADHM CC(C)(C)c1ccccc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819959090 607350491 /nfs/dbraw/zinc/35/04/91/607350491.db2.gz XUOHGYOAVUEHKG-UHFFFAOYSA-N -1 3 339.374 3.556 20 0 EHADHM CCc1ccc([C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000736685975 598386616 /nfs/dbraw/zinc/38/66/16/598386616.db2.gz NJADPVGUENTYST-SNVBAGLBSA-N -1 3 328.807 3.651 20 0 EHADHM CCc1ccc([C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000736685975 598386617 /nfs/dbraw/zinc/38/66/17/598386617.db2.gz NJADPVGUENTYST-SNVBAGLBSA-N -1 3 328.807 3.651 20 0 EHADHM CC(C)c1ccc(CCC(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000735923036 598573374 /nfs/dbraw/zinc/57/33/74/598573374.db2.gz IXDWMOSPWAPYAM-UHFFFAOYSA-N -1 3 335.411 3.561 20 0 EHADHM CC(C)c1ccc(CCC(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000735923036 598573375 /nfs/dbraw/zinc/57/33/75/598573375.db2.gz IXDWMOSPWAPYAM-UHFFFAOYSA-N -1 3 335.411 3.561 20 0 EHADHM c1csc(-c2cnc(CSc3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000738447885 598583008 /nfs/dbraw/zinc/58/30/08/598583008.db2.gz KDOBDQTWSPGZAA-UHFFFAOYSA-N -1 3 341.421 3.876 20 0 EHADHM c1csc(-c2cnc(CSc3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000738447885 598583009 /nfs/dbraw/zinc/58/30/09/598583009.db2.gz KDOBDQTWSPGZAA-UHFFFAOYSA-N -1 3 341.421 3.876 20 0 EHADHM Fc1ccc(N[C@H](c2ccccc2)c2ccccn2)c(-c2nnn[n-]2)c1 ZINC000737660270 598631118 /nfs/dbraw/zinc/63/11/18/598631118.db2.gz PMMMBANJHNXAMD-GOSISDBHSA-N -1 3 346.369 3.602 20 0 EHADHM Fc1ccc(N[C@H](c2ccccc2)c2ccccn2)c(-c2nn[n-]n2)c1 ZINC000737660270 598631120 /nfs/dbraw/zinc/63/11/20/598631120.db2.gz PMMMBANJHNXAMD-GOSISDBHSA-N -1 3 346.369 3.602 20 0 EHADHM Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1Cl ZINC000737314366 598650712 /nfs/dbraw/zinc/65/07/12/598650712.db2.gz CCUJHLWXPPZAIU-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1Cl ZINC000737314366 598650713 /nfs/dbraw/zinc/65/07/13/598650713.db2.gz CCUJHLWXPPZAIU-UHFFFAOYSA-N -1 3 348.193 3.734 20 0 EHADHM C[C@H]1C[C@H]1c1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000736236261 598654672 /nfs/dbraw/zinc/65/46/72/598654672.db2.gz IVMBNSTZIKBTOM-TVQRCGJNSA-N -1 3 329.791 3.849 20 0 EHADHM C[C@H]1C[C@H]1c1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000736236261 598654674 /nfs/dbraw/zinc/65/46/74/598654674.db2.gz IVMBNSTZIKBTOM-TVQRCGJNSA-N -1 3 329.791 3.849 20 0 EHADHM CC[C@@H](C)CN(C)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000736323166 598666933 /nfs/dbraw/zinc/66/69/33/598666933.db2.gz UYINLTOIZPZERT-CQSZACIVSA-N -1 3 349.438 3.652 20 0 EHADHM CC[C@@H](C)CN(C)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000736323166 598666935 /nfs/dbraw/zinc/66/69/35/598666935.db2.gz UYINLTOIZPZERT-CQSZACIVSA-N -1 3 349.438 3.652 20 0 EHADHM Clc1cc(N2CC[C@@H](c3ccccc3)C2)ccc1-c1nnn[n-]1 ZINC000737564966 598668586 /nfs/dbraw/zinc/66/85/86/598668586.db2.gz LMMUWFJXHRKQOH-CYBMUJFWSA-N -1 3 325.803 3.514 20 0 EHADHM Clc1cc(N2CC[C@@H](c3ccccc3)C2)ccc1-c1nn[n-]n1 ZINC000737564966 598668588 /nfs/dbraw/zinc/66/85/88/598668588.db2.gz LMMUWFJXHRKQOH-CYBMUJFWSA-N -1 3 325.803 3.514 20 0 EHADHM CCCC[C@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(OC)cc1 ZINC000736439029 598674061 /nfs/dbraw/zinc/67/40/61/598674061.db2.gz ROGWJOFAPWMZMJ-INIZCTEOSA-N -1 3 338.415 3.614 20 0 EHADHM CCCC[C@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(OC)cc1 ZINC000736439029 598674063 /nfs/dbraw/zinc/67/40/63/598674063.db2.gz ROGWJOFAPWMZMJ-INIZCTEOSA-N -1 3 338.415 3.614 20 0 EHADHM CCOc1ccccc1CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736654823 598695058 /nfs/dbraw/zinc/69/50/58/598695058.db2.gz YZZMTUZBILLSCY-UHFFFAOYSA-N -1 3 344.415 3.838 20 0 EHADHM CCOc1ccccc1CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736654823 598695059 /nfs/dbraw/zinc/69/50/59/598695059.db2.gz YZZMTUZBILLSCY-UHFFFAOYSA-N -1 3 344.415 3.838 20 0 EHADHM CC(C)Sc1ccc([C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735921404 598755662 /nfs/dbraw/zinc/75/56/62/598755662.db2.gz RZILIGWYELUPLA-GFCCVEGCSA-N -1 3 340.456 3.935 20 0 EHADHM CC(C)Sc1ccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735921404 598755663 /nfs/dbraw/zinc/75/56/63/598755663.db2.gz RZILIGWYELUPLA-GFCCVEGCSA-N -1 3 340.456 3.935 20 0 EHADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1cccc(C(F)F)c1 ZINC000738163890 598791333 /nfs/dbraw/zinc/79/13/33/598791333.db2.gz QYFZVEQTASPJOC-UHFFFAOYSA-N -1 3 349.728 3.710 20 0 EHADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1cccc(C(F)F)c1 ZINC000738163890 598791334 /nfs/dbraw/zinc/79/13/34/598791334.db2.gz QYFZVEQTASPJOC-UHFFFAOYSA-N -1 3 349.728 3.710 20 0 EHADHM c1csc(Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000738419542 598796972 /nfs/dbraw/zinc/79/69/72/598796972.db2.gz PHHJJPGAUUESDZ-UHFFFAOYSA-N -1 3 336.380 3.859 20 0 EHADHM Clc1ccc([C@@H](Nc2ncccc2-c2nnn[n-]2)C2CCC2)cc1 ZINC000737571250 598798013 /nfs/dbraw/zinc/79/80/13/598798013.db2.gz YAXNGTCHYZRHFV-HNNXBMFYSA-N -1 3 340.818 3.868 20 0 EHADHM Clc1ccc([C@@H](Nc2ncccc2-c2nn[n-]n2)C2CCC2)cc1 ZINC000737571250 598798015 /nfs/dbraw/zinc/79/80/15/598798015.db2.gz YAXNGTCHYZRHFV-HNNXBMFYSA-N -1 3 340.818 3.868 20 0 EHADHM Clc1ccc([C@H](Nc2ccc(-c3nnn[n-]3)cn2)C2CCC2)cc1 ZINC000737570105 598798060 /nfs/dbraw/zinc/79/80/60/598798060.db2.gz BHARJVKUFLAGTK-MRXNPFEDSA-N -1 3 340.818 3.868 20 0 EHADHM Clc1ccc([C@H](Nc2ccc(-c3nn[n-]n3)cn2)C2CCC2)cc1 ZINC000737570105 598798062 /nfs/dbraw/zinc/79/80/62/598798062.db2.gz BHARJVKUFLAGTK-MRXNPFEDSA-N -1 3 340.818 3.868 20 0 EHADHM CC(C)Oc1ccc(F)cc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735915189 599325145 /nfs/dbraw/zinc/32/51/45/599325145.db2.gz LBFLZYCLRCCPSB-LBPRGKRZSA-N -1 3 341.390 3.966 20 0 EHADHM CC(C)Oc1ccc(F)cc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735915189 599325148 /nfs/dbraw/zinc/32/51/48/599325148.db2.gz LBFLZYCLRCCPSB-LBPRGKRZSA-N -1 3 341.390 3.966 20 0 EHADHM FC(F)(F)Cc1cccc(NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737626774 599332966 /nfs/dbraw/zinc/33/29/66/599332966.db2.gz LDZPHIOYFYAYQO-UHFFFAOYSA-N -1 3 333.317 3.584 20 0 EHADHM FC(F)(F)Cc1cccc(NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737626774 599332969 /nfs/dbraw/zinc/33/29/69/599332969.db2.gz LDZPHIOYFYAYQO-UHFFFAOYSA-N -1 3 333.317 3.584 20 0 EHADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1OC(F)F ZINC000822254320 599379234 /nfs/dbraw/zinc/37/92/34/599379234.db2.gz GXXWGSKLCYGRBO-NSHDSACASA-N -1 3 345.353 3.950 20 0 EHADHM Cc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1OC(F)F ZINC000822254320 599379236 /nfs/dbraw/zinc/37/92/36/599379236.db2.gz GXXWGSKLCYGRBO-NSHDSACASA-N -1 3 345.353 3.950 20 0 EHADHM c1ccc2c(c1)nc(N1CCC[C@@]3(CC=CCC3)C1)cc2-c1nnn[n-]1 ZINC000735398562 599438724 /nfs/dbraw/zinc/43/87/24/599438724.db2.gz HPDPJNUGCRGDPL-FQEVSTJZSA-N -1 3 346.438 3.742 20 0 EHADHM c1ccc2c(c1)nc(N1CCC[C@@]3(CC=CCC3)C1)cc2-c1nn[n-]n1 ZINC000735398562 599438728 /nfs/dbraw/zinc/43/87/28/599438728.db2.gz HPDPJNUGCRGDPL-FQEVSTJZSA-N -1 3 346.438 3.742 20 0 EHADHM CCCCc1noc([C@H](C)SCc2ccccc2-c2nnn[n-]2)n1 ZINC000736466494 599451323 /nfs/dbraw/zinc/45/13/23/599451323.db2.gz LDLCXNGECNXVEW-NSHDSACASA-N -1 3 344.444 3.587 20 0 EHADHM CCCCc1noc([C@H](C)SCc2ccccc2-c2nn[n-]n2)n1 ZINC000736466494 599451326 /nfs/dbraw/zinc/45/13/26/599451326.db2.gz LDLCXNGECNXVEW-NSHDSACASA-N -1 3 344.444 3.587 20 0 EHADHM C[C@@H]1C[C@@H]1c1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)o1 ZINC000820677712 599484525 /nfs/dbraw/zinc/48/45/25/599484525.db2.gz SAGZHAGNUSIIIS-SKDRFNHKSA-N -1 3 329.791 3.849 20 0 EHADHM C[C@@H]1C[C@@H]1c1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)o1 ZINC000820677712 599484526 /nfs/dbraw/zinc/48/45/26/599484526.db2.gz SAGZHAGNUSIIIS-SKDRFNHKSA-N -1 3 329.791 3.849 20 0 EHADHM Fc1ccc(NCCOc2cccc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000822778101 599486662 /nfs/dbraw/zinc/48/66/62/599486662.db2.gz DAXJEFKJTQNTIF-UHFFFAOYSA-N -1 3 349.369 3.650 20 0 EHADHM Fc1ccc(NCCOc2cccc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000822778101 599486663 /nfs/dbraw/zinc/48/66/63/599486663.db2.gz DAXJEFKJTQNTIF-UHFFFAOYSA-N -1 3 349.369 3.650 20 0 EHADHM C[C@H](NC(=O)CCCC1CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321738 599513582 /nfs/dbraw/zinc/51/35/82/599513582.db2.gz MAVSLAVCHRHJLO-AWEZNQCLSA-N -1 3 341.459 3.795 20 0 EHADHM C[C@H](NC(=O)CCCC1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321738 599513583 /nfs/dbraw/zinc/51/35/83/599513583.db2.gz MAVSLAVCHRHJLO-AWEZNQCLSA-N -1 3 341.459 3.795 20 0 EHADHM C[C@@H](NC(=O)c1cccc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000820397982 599519216 /nfs/dbraw/zinc/51/92/16/599519216.db2.gz YFIKPTVMYSIOFU-CYBMUJFWSA-N -1 3 343.390 3.511 20 0 EHADHM C[C@@H](NC(=O)c1cccc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820397982 599519220 /nfs/dbraw/zinc/51/92/20/599519220.db2.gz YFIKPTVMYSIOFU-CYBMUJFWSA-N -1 3 343.390 3.511 20 0 EHADHM CC[C@@H](CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820882002 599534247 /nfs/dbraw/zinc/53/42/47/599534247.db2.gz HKPZZHDEZQIVTL-CABCVRRESA-N -1 3 349.438 3.628 20 0 EHADHM CC[C@@H](CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820882002 599534250 /nfs/dbraw/zinc/53/42/50/599534250.db2.gz HKPZZHDEZQIVTL-CABCVRRESA-N -1 3 349.438 3.628 20 0 EHADHM CC[C@H](CC(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1ccc(C)cc1 ZINC000736335043 599539169 /nfs/dbraw/zinc/53/91/69/599539169.db2.gz ORDPIIYOAUIJCT-CQSZACIVSA-N -1 3 336.395 3.664 20 0 EHADHM CC[C@H](CC(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(C)cc1 ZINC000736335043 599539172 /nfs/dbraw/zinc/53/91/72/599539172.db2.gz ORDPIIYOAUIJCT-CQSZACIVSA-N -1 3 336.395 3.664 20 0 EHADHM CC(C)(C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000735603915 599539559 /nfs/dbraw/zinc/53/95/59/599539559.db2.gz QCHDVGKEOMRIQC-UHFFFAOYSA-N -1 3 333.461 3.572 20 0 EHADHM CC(C)(C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000735603915 599539558 /nfs/dbraw/zinc/53/95/58/599539558.db2.gz QCHDVGKEOMRIQC-UHFFFAOYSA-N -1 3 333.461 3.572 20 0 EHADHM Cc1ccccc1[C@@H](C)CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822344810 599540776 /nfs/dbraw/zinc/54/07/76/599540776.db2.gz AJYDURRYLRHDOX-LSDHHAIUSA-N -1 3 349.438 3.546 20 0 EHADHM Cc1ccccc1[C@@H](C)CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822344810 599540778 /nfs/dbraw/zinc/54/07/78/599540778.db2.gz AJYDURRYLRHDOX-LSDHHAIUSA-N -1 3 349.438 3.546 20 0 EHADHM Clc1cc(N[C@@H]2C[C@@H]2Cc2ccccc2)ccc1-c1nnn[n-]1 ZINC000822567529 599591150 /nfs/dbraw/zinc/59/11/50/599591150.db2.gz CRVBBIOPLAZLQQ-BLLLJJGKSA-N -1 3 325.803 3.563 20 0 EHADHM Clc1cc(N[C@@H]2C[C@@H]2Cc2ccccc2)ccc1-c1nn[n-]n1 ZINC000822567529 599591152 /nfs/dbraw/zinc/59/11/52/599591152.db2.gz CRVBBIOPLAZLQQ-BLLLJJGKSA-N -1 3 325.803 3.563 20 0 EHADHM CC[C@@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1F ZINC000736370737 599598178 /nfs/dbraw/zinc/59/81/78/599598178.db2.gz OKJFJQHMKDEDJV-MRXNPFEDSA-N -1 3 347.344 3.525 20 0 EHADHM Cc1cccc(NC(=S)Nc2ccccc2-c2nnn[n-]2)c1Cl ZINC000822323262 599664201 /nfs/dbraw/zinc/66/42/01/599664201.db2.gz BPYHLDKSRKBPET-UHFFFAOYSA-N -1 3 344.831 3.637 20 0 EHADHM Cc1cccc(NC(=S)Nc2ccccc2-c2nn[n-]n2)c1Cl ZINC000822323262 599664202 /nfs/dbraw/zinc/66/42/02/599664202.db2.gz BPYHLDKSRKBPET-UHFFFAOYSA-N -1 3 344.831 3.637 20 0 EHADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CC[C@H](CC(C)C)C1 ZINC000822331269 599687006 /nfs/dbraw/zinc/68/70/06/599687006.db2.gz AUDRRCCCYPCGKK-CQSZACIVSA-N -1 3 336.443 3.596 20 0 EHADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CC[C@H](CC(C)C)C1 ZINC000822331269 599687007 /nfs/dbraw/zinc/68/70/07/599687007.db2.gz AUDRRCCCYPCGKK-CQSZACIVSA-N -1 3 336.443 3.596 20 0 EHADHM Cc1oc(C(=O)[O-])cc1CN1CCC(OC2CCC(C)CC2)CC1 ZINC000579967292 599866874 /nfs/dbraw/zinc/86/68/74/599866874.db2.gz BUNOHTHNEONYOQ-UHFFFAOYSA-N -1 3 335.444 3.846 20 0 EHADHM O=C([O-])c1cc(F)ccc1CN1CCC(OC2CCCCC2)CC1 ZINC000740078487 600091658 /nfs/dbraw/zinc/09/16/58/600091658.db2.gz KJVGPKGCGNYFDJ-UHFFFAOYSA-N -1 3 335.419 3.838 20 0 EHADHM O=C([O-])[C@@H](NCc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 ZINC000426770147 600418761 /nfs/dbraw/zinc/41/87/61/600418761.db2.gz PLEOHUNCQBOFGN-AWEZNQCLSA-N -1 3 343.276 3.640 20 0 EHADHM CCCC[C@H](COC)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000829286924 600751332 /nfs/dbraw/zinc/75/13/32/600751332.db2.gz XMBDXOZHOKTCRE-BXUZGUMPSA-N -1 3 334.243 3.914 20 0 EHADHM CC(C)(C)n1ncc2c1CCC[C@@H]2N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736310897 601102002 /nfs/dbraw/zinc/10/20/02/601102002.db2.gz ZBUGHGKMEKGMNF-RDJZCZTQSA-N -1 3 345.418 3.570 20 0 EHADHM CN(Cc1c2ccccc2sc1C(=O)[O-])Cc1cccc(O)c1 ZINC000830853097 601169575 /nfs/dbraw/zinc/16/95/75/601169575.db2.gz XCTBTZKOKCBSNB-UHFFFAOYSA-N -1 3 327.405 3.937 20 0 EHADHM CCc1ccc(-c2noc(CNC3(CC(=O)[O-])CCCCC3)n2)cc1 ZINC000830228968 601552731 /nfs/dbraw/zinc/55/27/31/601552731.db2.gz KBRDJFXENVMTDS-UHFFFAOYSA-N -1 3 343.427 3.566 20 0 EHADHM COc1cccc(C2CCN(Cc3ccc(C(=O)[O-])c(F)c3)CC2)c1 ZINC000517177651 601624918 /nfs/dbraw/zinc/62/49/18/601624918.db2.gz ZRBBISYGKDWSIK-UHFFFAOYSA-N -1 3 343.398 3.912 20 0 EHADHM O=C([O-])c1sccc1CN(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000584177676 601809561 /nfs/dbraw/zinc/80/95/61/601809561.db2.gz JFLBTTSMLTYYLM-INIZCTEOSA-N -1 3 331.437 3.628 20 0 EHADHM C/C(=C/CN1CC=C(c2ccccc2C(F)(F)F)CC1)C(=O)[O-] ZINC000825733686 602056079 /nfs/dbraw/zinc/05/60/79/602056079.db2.gz DHMRBHQZSWXSCH-SDQBBNPISA-N -1 3 325.330 3.825 20 0 EHADHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NCc1ccc(NC(=O)[O-])nc1 ZINC000828848771 603554491 /nfs/dbraw/zinc/55/44/91/603554491.db2.gz BDFIQNREOHIQDH-ZBEGNZNMSA-N -1 3 349.818 3.691 20 0 EHADHM C[C@H](NC1CCN(C(=O)[O-])CC1)c1nc(-c2ccccc2)cs1 ZINC000825479912 604191586 /nfs/dbraw/zinc/19/15/86/604191586.db2.gz QYSZGWUTVFLVMG-LBPRGKRZSA-N -1 3 331.441 3.603 20 0 EHADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825068418 607684222 /nfs/dbraw/zinc/68/42/22/607684222.db2.gz RJSIODNQZOZOTF-OAHLLOKOSA-N -1 3 349.438 3.616 20 0 EHADHM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825068418 607684223 /nfs/dbraw/zinc/68/42/23/607684223.db2.gz RJSIODNQZOZOTF-OAHLLOKOSA-N -1 3 349.438 3.616 20 0 EHADHM CCSc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000825674077 607688743 /nfs/dbraw/zinc/68/87/43/607688743.db2.gz HPOIVIANIPDCDO-UHFFFAOYSA-N -1 3 339.424 3.539 20 0 EHADHM CCSc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000825674077 607688745 /nfs/dbraw/zinc/68/87/45/607688745.db2.gz HPOIVIANIPDCDO-UHFFFAOYSA-N -1 3 339.424 3.539 20 0 EHADHM CCOc1ccc(C2=CCN(Cc3ccoc3C(=O)[O-])CC2)cc1 ZINC000833664580 604573824 /nfs/dbraw/zinc/57/38/24/604573824.db2.gz YFOKTRAQUPMLRL-UHFFFAOYSA-N -1 3 327.380 3.666 20 0 EHADHM CC1(C)CO[C@H](c2ccccc2)CN1Cc1ccccc1C(=O)[O-] ZINC000578756531 604626287 /nfs/dbraw/zinc/62/62/87/604626287.db2.gz XVHBONAATLJBDG-SFHVURJKSA-N -1 3 325.408 3.737 20 0 EHADHM Cc1ccsc1CCCC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000826316003 607711176 /nfs/dbraw/zinc/71/11/76/607711176.db2.gz AKBRLTUYUWGULY-UHFFFAOYSA-N -1 3 341.440 3.506 20 0 EHADHM Cc1ccsc1CCCC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000826316003 607711178 /nfs/dbraw/zinc/71/11/78/607711178.db2.gz AKBRLTUYUWGULY-UHFFFAOYSA-N -1 3 341.440 3.506 20 0 EHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cn2c3ccccc3oc2=S)C1 ZINC000833420475 604864363 /nfs/dbraw/zinc/86/43/63/604864363.db2.gz SJTYEQRYWGSRBN-GFCCVEGCSA-N -1 3 334.441 3.744 20 0 EHADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2sccc2Br)C1 ZINC000135037426 604932750 /nfs/dbraw/zinc/93/27/50/604932750.db2.gz DRRMYAPGKIXNGF-SNVBAGLBSA-N -1 3 346.290 3.833 20 0 EHADHM CC(C)n1cc([C@H](C)NCc2ccc([C@H](C)NC(=O)[O-])cc2)cn1 ZINC000825501316 605117858 /nfs/dbraw/zinc/11/78/58/605117858.db2.gz CCIDGIKQQUKIIH-KBPBESRZSA-N -1 3 330.432 3.643 20 0 EHADHM CN(C)c1ccccc1CN[C@@H]1CCc2cc(NC(=O)[O-])ccc21 ZINC000833871659 605638196 /nfs/dbraw/zinc/63/81/96/605638196.db2.gz WKMTXNGBECNPIV-QGZVFWFLSA-N -1 3 325.412 3.620 20 0 EHADHM Fc1ccc([C@@H](Nc2ccc(-c3nnn[n-]3)nc2)c2ccccc2)cc1 ZINC000822766295 606047698 /nfs/dbraw/zinc/04/76/98/606047698.db2.gz HSPXXOHBVODIHL-SFHVURJKSA-N -1 3 346.369 3.602 20 0 EHADHM Fc1ccc([C@@H](Nc2ccc(-c3nn[n-]n3)nc2)c2ccccc2)cc1 ZINC000822766295 606047702 /nfs/dbraw/zinc/04/77/02/606047702.db2.gz HSPXXOHBVODIHL-SFHVURJKSA-N -1 3 346.369 3.602 20 0 EHADHM Cc1cccc([C@H]2CCCCN2c2ncccc2-c2nnn[n-]2)c1C ZINC000822299639 606062304 /nfs/dbraw/zinc/06/23/04/606062304.db2.gz PVRLMFPVTBWKBT-QGZVFWFLSA-N -1 3 334.427 3.610 20 0 EHADHM Cc1cccc([C@H]2CCCCN2c2ncccc2-c2nn[n-]n2)c1C ZINC000822299639 606062309 /nfs/dbraw/zinc/06/23/09/606062309.db2.gz PVRLMFPVTBWKBT-QGZVFWFLSA-N -1 3 334.427 3.610 20 0 EHADHM C[C@@H](Cc1ccc2ccccc2n1)Sc1cc(-c2nnn[n-]2)ccn1 ZINC000820301443 606332364 /nfs/dbraw/zinc/33/23/64/606332364.db2.gz YPZCVZVLESHCOT-LBPRGKRZSA-N -1 3 348.435 3.533 20 0 EHADHM C[C@@H](Cc1ccc2ccccc2n1)Sc1cc(-c2nn[n-]n2)ccn1 ZINC000820301443 606332366 /nfs/dbraw/zinc/33/23/66/606332366.db2.gz YPZCVZVLESHCOT-LBPRGKRZSA-N -1 3 348.435 3.533 20 0 EHADHM C(=Cc1ccc(-c2nnn[n-]2)cn1)c1cnc(-c2cccs2)s1 ZINC000819710077 606338871 /nfs/dbraw/zinc/33/88/71/606338871.db2.gz WCGTYMATTDHLCA-AATRIKPKSA-N -1 3 338.421 3.617 20 0 EHADHM C(=Cc1ccc(-c2nn[n-]n2)cn1)c1cnc(-c2cccs2)s1 ZINC000819710077 606338873 /nfs/dbraw/zinc/33/88/73/606338873.db2.gz WCGTYMATTDHLCA-AATRIKPKSA-N -1 3 338.421 3.617 20 0 EHADHM Clc1cc(N2CCC[C@@H]2c2ccccc2)ccc1-c1nnn[n-]1 ZINC000822568027 606446449 /nfs/dbraw/zinc/44/64/49/606446449.db2.gz KJUFKXHSWZWUCD-MRXNPFEDSA-N -1 3 325.803 3.862 20 0 EHADHM Clc1cc(N2CCC[C@@H]2c2ccccc2)ccc1-c1nn[n-]n1 ZINC000822568027 606446450 /nfs/dbraw/zinc/44/64/50/606446450.db2.gz KJUFKXHSWZWUCD-MRXNPFEDSA-N -1 3 325.803 3.862 20 0 EHADHM Fc1ccc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000822779305 606447027 /nfs/dbraw/zinc/44/70/27/606447027.db2.gz VHHYUDTWHKUIFX-PSASIEDQSA-N -1 3 329.301 3.539 20 0 EHADHM Fc1ccc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000822779305 606447029 /nfs/dbraw/zinc/44/70/29/606447029.db2.gz VHHYUDTWHKUIFX-PSASIEDQSA-N -1 3 329.301 3.539 20 0 EHADHM c1cc(CNc2ccc3nc(C4CC4)sc3c2)cc(-c2nnn[n-]2)c1 ZINC000823751612 606454235 /nfs/dbraw/zinc/45/42/35/606454235.db2.gz MWSYCQHJOVKSKR-UHFFFAOYSA-N -1 3 348.435 3.966 20 0 EHADHM c1cc(CNc2ccc3nc(C4CC4)sc3c2)cc(-c2nn[n-]n2)c1 ZINC000823751612 606454236 /nfs/dbraw/zinc/45/42/36/606454236.db2.gz MWSYCQHJOVKSKR-UHFFFAOYSA-N -1 3 348.435 3.966 20 0 EHADHM CCCCOc1ccccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821077365 606455233 /nfs/dbraw/zinc/45/52/33/606455233.db2.gz CHGMMSKGGUVOIX-UHFFFAOYSA-N -1 3 341.390 3.797 20 0 EHADHM CCCCOc1ccccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821077365 606455234 /nfs/dbraw/zinc/45/52/34/606455234.db2.gz CHGMMSKGGUVOIX-UHFFFAOYSA-N -1 3 341.390 3.797 20 0 EHADHM CCC1(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)CC1 ZINC000820944354 606532856 /nfs/dbraw/zinc/53/28/56/606532856.db2.gz LPLGIJFOVQKIRB-UHFFFAOYSA-N -1 3 349.394 3.788 20 0 EHADHM CCC1(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)CC1 ZINC000820944354 606532858 /nfs/dbraw/zinc/53/28/58/606532858.db2.gz LPLGIJFOVQKIRB-UHFFFAOYSA-N -1 3 349.394 3.788 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000822743634 606595476 /nfs/dbraw/zinc/59/54/76/606595476.db2.gz BDYVDAKSPFPVAX-GXSJLCMTSA-N -1 3 343.328 3.786 20 0 EHADHM CCC1(CC)CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820958436 606695460 /nfs/dbraw/zinc/69/54/60/606695460.db2.gz VJNIMDQTEDBJFB-UHFFFAOYSA-N -1 3 348.838 3.564 20 0 EHADHM CCC1(CC)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820958436 606695461 /nfs/dbraw/zinc/69/54/61/606695461.db2.gz VJNIMDQTEDBJFB-UHFFFAOYSA-N -1 3 348.838 3.564 20 0 EHADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(N2CCCC2)c1 ZINC000820455113 606732801 /nfs/dbraw/zinc/73/28/01/606732801.db2.gz DGAHGRBNRQWHKJ-AWEZNQCLSA-N -1 3 334.427 3.640 20 0 EHADHM O=C(Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C1=CCCC1 ZINC000823455173 606737185 /nfs/dbraw/zinc/73/71/85/606737185.db2.gz XZISXWYYIUGWSG-UHFFFAOYSA-N -1 3 348.362 3.675 20 0 EHADHM O=C(Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C1=CCCC1 ZINC000823455173 606737188 /nfs/dbraw/zinc/73/71/88/606737188.db2.gz XZISXWYYIUGWSG-UHFFFAOYSA-N -1 3 348.362 3.675 20 0 EHADHM Fc1ccc2oc(C(Cl)=Cc3ccc(-c4nnn[n-]4)cc3)nc2c1 ZINC000822787265 606764204 /nfs/dbraw/zinc/76/42/04/606764204.db2.gz WDILUJILKFFKMN-GHXNOFRVSA-N -1 3 341.733 3.884 20 0 EHADHM Fc1ccc2oc(C(Cl)=Cc3ccc(-c4nn[n-]n4)cc3)nc2c1 ZINC000822787265 606764205 /nfs/dbraw/zinc/76/42/05/606764205.db2.gz WDILUJILKFFKMN-GHXNOFRVSA-N -1 3 341.733 3.884 20 0 EHADHM Fc1ccc(CNc2cc(Cl)ccc2Cl)cc1-c1nnn[n-]1 ZINC000822771676 606926143 /nfs/dbraw/zinc/92/61/43/606926143.db2.gz JUOVBAYQOYBROY-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM Fc1ccc(CNc2cc(Cl)ccc2Cl)cc1-c1nn[n-]n1 ZINC000822771676 606926144 /nfs/dbraw/zinc/92/61/44/606926144.db2.gz JUOVBAYQOYBROY-UHFFFAOYSA-N -1 3 338.173 3.925 20 0 EHADHM C[C@H](Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)c1cccc(O)c1 ZINC000820456132 606928878 /nfs/dbraw/zinc/92/88/78/606928878.db2.gz QFVBEKKSRVIUJZ-VIFPVBQESA-N -1 3 349.316 3.764 20 0 EHADHM C[C@H](Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)c1cccc(O)c1 ZINC000820456132 606928880 /nfs/dbraw/zinc/92/88/80/606928880.db2.gz QFVBEKKSRVIUJZ-VIFPVBQESA-N -1 3 349.316 3.764 20 0 EHADHM Cc1cccc([C@H]2CCCN2c2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000822299935 607032609 /nfs/dbraw/zinc/03/26/09/607032609.db2.gz ZPGSDXHVBGJTDJ-MRXNPFEDSA-N -1 3 340.818 3.565 20 0 EHADHM Cc1cccc([C@H]2CCCN2c2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000822299935 607032611 /nfs/dbraw/zinc/03/26/11/607032611.db2.gz ZPGSDXHVBGJTDJ-MRXNPFEDSA-N -1 3 340.818 3.565 20 0 EHADHM CCCc1nc(CSCc2cc(F)ccc2-c2nnn[n-]2)cs1 ZINC000821142481 607032920 /nfs/dbraw/zinc/03/29/20/607032920.db2.gz JPVGZDKMWHHOET-UHFFFAOYSA-N -1 3 349.460 3.848 20 0 EHADHM CCCc1nc(CSCc2cc(F)ccc2-c2nn[n-]n2)cs1 ZINC000821142481 607032921 /nfs/dbraw/zinc/03/29/21/607032921.db2.gz JPVGZDKMWHHOET-UHFFFAOYSA-N -1 3 349.460 3.848 20 0 EHADHM CCc1c(C)sc(NC(=O)C[C@@H]2CC[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000821465608 607089113 /nfs/dbraw/zinc/08/91/13/607089113.db2.gz KJJCRQUKDPZZHP-MWLCHTKSSA-N -1 3 333.461 3.564 20 0 EHADHM CCc1c(C)sc(NC(=O)C[C@@H]2CC[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000821465608 607089114 /nfs/dbraw/zinc/08/91/14/607089114.db2.gz KJJCRQUKDPZZHP-MWLCHTKSSA-N -1 3 333.461 3.564 20 0 EHADHM Clc1cc(N[C@@H]2CCOC3(CCCCC3)C2)ccc1-c1nnn[n-]1 ZINC000822568489 607130716 /nfs/dbraw/zinc/13/07/16/607130716.db2.gz SMHWDRAZSGFGBR-CYBMUJFWSA-N -1 3 347.850 3.814 20 0 EHADHM Clc1cc(N[C@@H]2CCOC3(CCCCC3)C2)ccc1-c1nn[n-]n1 ZINC000822568489 607130718 /nfs/dbraw/zinc/13/07/18/607130718.db2.gz SMHWDRAZSGFGBR-CYBMUJFWSA-N -1 3 347.850 3.814 20 0 EHADHM Clc1ccc(-c2nnn[n-]2)c(N[C@H]2CCOC3(CCCCC3)C2)c1 ZINC000822567894 607130859 /nfs/dbraw/zinc/13/08/59/607130859.db2.gz IGKRGLKOYRWNFC-ZDUSSCGKSA-N -1 3 347.850 3.814 20 0 EHADHM Clc1ccc(-c2nn[n-]n2)c(N[C@H]2CCOC3(CCCCC3)C2)c1 ZINC000822567894 607130861 /nfs/dbraw/zinc/13/08/61/607130861.db2.gz IGKRGLKOYRWNFC-ZDUSSCGKSA-N -1 3 347.850 3.814 20 0 EHADHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N[C@H]1CCCC(F)(F)C1 ZINC000822736747 607131184 /nfs/dbraw/zinc/13/11/84/607131184.db2.gz JRAHHLFTKMDUEG-VIFPVBQESA-N -1 3 347.291 3.875 20 0 EHADHM Clc1cccc(-c2nnn[n-]2)c1N[C@H]1CCOC2(CCCCC2)C1 ZINC000822581090 607131307 /nfs/dbraw/zinc/13/13/07/607131307.db2.gz AGTAZLDDBGLGPC-LBPRGKRZSA-N -1 3 347.850 3.814 20 0 EHADHM Clc1cccc(-c2nn[n-]n2)c1N[C@H]1CCOC2(CCCCC2)C1 ZINC000822581090 607131309 /nfs/dbraw/zinc/13/13/09/607131309.db2.gz AGTAZLDDBGLGPC-LBPRGKRZSA-N -1 3 347.850 3.814 20 0 EHADHM CC(C)[C@H](CC(=O)N(C)c1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000824191466 607788612 /nfs/dbraw/zinc/78/86/12/607788612.db2.gz FMDHEBXZYAWTRC-KRWDZBQOSA-N -1 3 349.438 3.659 20 0 EHADHM CC(C)[C@H](CC(=O)N(C)c1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000824191466 607788613 /nfs/dbraw/zinc/78/86/13/607788613.db2.gz FMDHEBXZYAWTRC-KRWDZBQOSA-N -1 3 349.438 3.659 20 0 EHADHM CC(C)(CCC(=O)Nc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000824152810 607826113 /nfs/dbraw/zinc/82/61/13/607826113.db2.gz OFFPEHILARAFCU-UHFFFAOYSA-N -1 3 335.411 3.563 20 0 EHADHM CC(C)(CCC(=O)Nc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000824152810 607826114 /nfs/dbraw/zinc/82/61/14/607826114.db2.gz OFFPEHILARAFCU-UHFFFAOYSA-N -1 3 335.411 3.563 20 0 EHADHM CCOc1ccc(CSc2ccc(-c3nnn[n-]3)cc2Cl)nc1 ZINC000825638481 607843626 /nfs/dbraw/zinc/84/36/26/607843626.db2.gz LQZOHWDEOKDOII-UHFFFAOYSA-N -1 3 347.831 3.606 20 0 EHADHM CCOc1ccc(CSc2ccc(-c3nn[n-]n3)cc2Cl)nc1 ZINC000825638481 607843627 /nfs/dbraw/zinc/84/36/27/607843627.db2.gz LQZOHWDEOKDOII-UHFFFAOYSA-N -1 3 347.831 3.606 20 0 EHADHM CC(=Cc1cccc(Cl)c1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000823943619 607999803 /nfs/dbraw/zinc/99/98/03/607999803.db2.gz QPPZHMWKMOCJHB-LUAWRHEFSA-N -1 3 339.786 3.562 20 0 EHADHM CC(=Cc1cccc(Cl)c1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000823943619 607999804 /nfs/dbraw/zinc/99/98/04/607999804.db2.gz QPPZHMWKMOCJHB-LUAWRHEFSA-N -1 3 339.786 3.562 20 0 EHADHM CCC(CC)[C@H](C)C(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825096329 608057967 /nfs/dbraw/zinc/05/79/67/608057967.db2.gz MFGGVFGZYBVHPH-KBPBESRZSA-N -1 3 343.475 3.849 20 0 EHADHM CCC(CC)[C@H](C)C(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825096329 608057968 /nfs/dbraw/zinc/05/79/68/608057968.db2.gz MFGGVFGZYBVHPH-KBPBESRZSA-N -1 3 343.475 3.849 20 0 EHADHM CCSc1ccccc1OCc1cc(-c2nnn[n-]2)ccc1OC ZINC000825675150 608153640 /nfs/dbraw/zinc/15/36/40/608153640.db2.gz XTABISKYUCCRHO-UHFFFAOYSA-N -1 3 342.424 3.566 20 0 EHADHM CCSc1ccccc1OCc1cc(-c2nn[n-]n2)ccc1OC ZINC000825675150 608153642 /nfs/dbraw/zinc/15/36/42/608153642.db2.gz XTABISKYUCCRHO-UHFFFAOYSA-N -1 3 342.424 3.566 20 0 EHADHM C[C@H](OC(=O)[C@@H](c1ccccc1)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824713079 608246767 /nfs/dbraw/zinc/24/67/67/608246767.db2.gz GJVKPDXNEAZBBF-UGSOOPFHSA-N -1 3 348.406 3.665 20 0 EHADHM C[C@H](OC(=O)[C@@H](c1ccccc1)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824713079 608246768 /nfs/dbraw/zinc/24/67/68/608246768.db2.gz GJVKPDXNEAZBBF-UGSOOPFHSA-N -1 3 348.406 3.665 20 0 EHADHM CCC(C)(C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825038941 608329338 /nfs/dbraw/zinc/32/93/38/608329338.db2.gz KDCHIARWUCZGKX-UHFFFAOYSA-N -1 3 349.438 3.586 20 0 EHADHM CCC(C)(C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825038941 608329339 /nfs/dbraw/zinc/32/93/39/608329339.db2.gz KDCHIARWUCZGKX-UHFFFAOYSA-N -1 3 349.438 3.586 20 0 EHADHM CCN(C(=O)C[C@H]1CC[C@H](C)C1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367298 608344976 /nfs/dbraw/zinc/34/49/76/608344976.db2.gz MYRZFXQXJDLUEQ-RYUDHWBXSA-N -1 3 347.850 3.699 20 0 EHADHM CCN(C(=O)C[C@H]1CC[C@H](C)C1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367298 608344978 /nfs/dbraw/zinc/34/49/78/608344978.db2.gz MYRZFXQXJDLUEQ-RYUDHWBXSA-N -1 3 347.850 3.699 20 0 EHADHM c1cncc(Oc2cccc(OCc3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000826526211 608800063 /nfs/dbraw/zinc/80/00/63/608800063.db2.gz PKWOIQDTCYITTF-UHFFFAOYSA-N -1 3 345.362 3.633 20 0 EHADHM c1cncc(Oc2cccc(OCc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000826526211 608800066 /nfs/dbraw/zinc/80/00/66/608800066.db2.gz PKWOIQDTCYITTF-UHFFFAOYSA-N -1 3 345.362 3.633 20 0 EHADHM C[C@H]1CCN(c2c(F)cc(-c3nnn[n-]3)cc2F)[C@H](c2ccco2)C1 ZINC000824961681 609164611 /nfs/dbraw/zinc/16/46/11/609164611.db2.gz GHGGAJLADFYZMS-HZMBPMFUSA-N -1 3 345.353 3.716 20 0 EHADHM C[C@H]1CCN(c2c(F)cc(-c3nn[n-]n3)cc2F)[C@H](c2ccco2)C1 ZINC000824961681 609164612 /nfs/dbraw/zinc/16/46/12/609164612.db2.gz GHGGAJLADFYZMS-HZMBPMFUSA-N -1 3 345.353 3.716 20 0 EHADHM CC(C)C[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000824244077 609171032 /nfs/dbraw/zinc/17/10/32/609171032.db2.gz QISLYNKFHVAAQM-STQMWFEESA-N -1 3 335.839 3.526 20 0 EHADHM CC(C)C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000824244077 609171034 /nfs/dbraw/zinc/17/10/34/609171034.db2.gz QISLYNKFHVAAQM-STQMWFEESA-N -1 3 335.839 3.526 20 0 EHADHM C[C@@H](Nc1ccc(OCC2CC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824655753 609235356 /nfs/dbraw/zinc/23/53/56/609235356.db2.gz FSVGVUHASOUHNU-CYBMUJFWSA-N -1 3 335.411 3.829 20 0 EHADHM C[C@@H](Nc1ccc(OCC2CC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824655753 609235357 /nfs/dbraw/zinc/23/53/57/609235357.db2.gz FSVGVUHASOUHNU-CYBMUJFWSA-N -1 3 335.411 3.829 20 0 EHADHM CCOc1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)ccc1C ZINC000825616005 609278278 /nfs/dbraw/zinc/27/82/78/609278278.db2.gz SKZTWQGTNAKQBX-GFCCVEGCSA-N -1 3 341.390 3.886 20 0 EHADHM CCOc1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)ccc1C ZINC000825616005 609278280 /nfs/dbraw/zinc/27/82/80/609278280.db2.gz SKZTWQGTNAKQBX-GFCCVEGCSA-N -1 3 341.390 3.886 20 0 EHADHM CC(C)n1ncc2cc(N[C@H](C)c3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000824656486 609279564 /nfs/dbraw/zinc/27/95/64/609279564.db2.gz KUMQFMOPGBGRJK-CYBMUJFWSA-N -1 3 347.426 3.970 20 0 EHADHM CC(C)n1ncc2cc(N[C@H](C)c3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000824656486 609279566 /nfs/dbraw/zinc/27/95/66/609279566.db2.gz KUMQFMOPGBGRJK-CYBMUJFWSA-N -1 3 347.426 3.970 20 0 EHADHM CC[C@@H](C)[C@@H](C)N(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C1CC1 ZINC000825059083 609299396 /nfs/dbraw/zinc/29/93/96/609299396.db2.gz CQPLDQFGCKMCKP-GHMZBOCLSA-N -1 3 347.850 3.559 20 0 EHADHM CC[C@@H](C)[C@@H](C)N(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C1CC1 ZINC000825059083 609299398 /nfs/dbraw/zinc/29/93/98/609299398.db2.gz CQPLDQFGCKMCKP-GHMZBOCLSA-N -1 3 347.850 3.559 20 0 EHADHM C[C@H](NCc1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000824627573 609321696 /nfs/dbraw/zinc/32/16/96/609321696.db2.gz ZAJVFCJQVNAQQL-JTQLQIEISA-N -1 3 331.782 3.510 20 0 EHADHM C[C@H](NCc1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000824627573 609321698 /nfs/dbraw/zinc/32/16/98/609321698.db2.gz ZAJVFCJQVNAQQL-JTQLQIEISA-N -1 3 331.782 3.510 20 0 EHADHM C[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824614237 609327787 /nfs/dbraw/zinc/32/77/87/609327787.db2.gz ZUJVGRKSKWQKLI-ZETOZRRWSA-N -1 3 341.390 3.573 20 0 EHADHM C[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824614237 609327788 /nfs/dbraw/zinc/32/77/88/609327788.db2.gz ZUJVGRKSKWQKLI-ZETOZRRWSA-N -1 3 341.390 3.573 20 0 EHADHM CCC[C@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1F)c1ccccn1 ZINC000825242562 609333712 /nfs/dbraw/zinc/33/37/12/609333712.db2.gz VBAKUGRAUNZFNA-PXAZEXFGSA-N -1 3 340.406 3.593 20 0 EHADHM C[C@@H](N[C@@H]1CSc2ccccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000824554964 609335974 /nfs/dbraw/zinc/33/59/74/609335974.db2.gz UBZSDIPNVDMWEF-MEBBXXQBSA-N -1 3 341.415 3.503 20 0 EHADHM CSc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826230694 609346806 /nfs/dbraw/zinc/34/68/06/609346806.db2.gz FVFCTAIRYFJBRD-JTQLQIEISA-N -1 3 329.404 3.901 20 0 EHADHM CSc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826230694 609346808 /nfs/dbraw/zinc/34/68/08/609346808.db2.gz FVFCTAIRYFJBRD-JTQLQIEISA-N -1 3 329.404 3.901 20 0 EHADHM Cc1cc(N(C)C)ccc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826269065 609346945 /nfs/dbraw/zinc/34/69/45/609346945.db2.gz ZBBVRTXBEQMTDL-LBPRGKRZSA-N -1 3 340.406 3.553 20 0 EHADHM Cc1cc(N(C)C)ccc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826269065 609346946 /nfs/dbraw/zinc/34/69/46/609346946.db2.gz ZBBVRTXBEQMTDL-LBPRGKRZSA-N -1 3 340.406 3.553 20 0 EHADHM CCCOc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000825341755 609347710 /nfs/dbraw/zinc/34/77/10/609347710.db2.gz JNWZUNJRSZHJMF-LBPRGKRZSA-N -1 3 341.390 3.968 20 0 EHADHM CCCOc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000825341755 609347712 /nfs/dbraw/zinc/34/77/12/609347712.db2.gz JNWZUNJRSZHJMF-LBPRGKRZSA-N -1 3 341.390 3.968 20 0 EHADHM CC(C)[C@H](Nc1ncccc1-c1nnn[n-]1)c1ccc(Cl)cc1F ZINC000824198419 609386838 /nfs/dbraw/zinc/38/68/38/609386838.db2.gz CCNQLRHPSKNOSP-AWEZNQCLSA-N -1 3 346.797 3.863 20 0 EHADHM CC(C)[C@H](Nc1ncccc1-c1nn[n-]n1)c1ccc(Cl)cc1F ZINC000824198419 609386840 /nfs/dbraw/zinc/38/68/40/609386840.db2.gz CCNQLRHPSKNOSP-AWEZNQCLSA-N -1 3 346.797 3.863 20 0 EHADHM O=C(Nc1csc2ccccc12)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826452688 609449228 /nfs/dbraw/zinc/44/92/28/609449228.db2.gz DBSBCAWENSYGCK-UHFFFAOYSA-N -1 3 336.380 3.725 20 0 EHADHM O=C(Nc1csc2ccccc12)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826452688 609449230 /nfs/dbraw/zinc/44/92/30/609449230.db2.gz DBSBCAWENSYGCK-UHFFFAOYSA-N -1 3 336.380 3.725 20 0 EHADHM CC[C@@H](C)C(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825049504 609452259 /nfs/dbraw/zinc/45/22/59/609452259.db2.gz BSPCINPIBXDHID-MRVPVSSYSA-N -1 3 344.362 3.593 20 0 EHADHM CC[C@@H](C)C(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825049504 609452261 /nfs/dbraw/zinc/45/22/61/609452261.db2.gz BSPCINPIBXDHID-MRVPVSSYSA-N -1 3 344.362 3.593 20 0 EHADHM CC[C@H](C)CCCCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825059576 609499455 /nfs/dbraw/zinc/49/94/55/609499455.db2.gz HEKRHLZIEHQGRG-LBPRGKRZSA-N -1 3 333.411 3.575 20 0 EHADHM CC[C@H](C)CCCCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825059576 609499458 /nfs/dbraw/zinc/49/94/58/609499458.db2.gz HEKRHLZIEHQGRG-LBPRGKRZSA-N -1 3 333.411 3.575 20 0 EHADHM CC(=Cc1cccc(Cl)c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000758157956 945269550 /nfs/dbraw/zinc/26/95/50/945269550.db2.gz BZMHNGKYFRQWIU-DHZHZOJOSA-N -1 3 339.786 3.562 20 0 EHADHM CC(=Cc1cccc(Cl)c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000758157956 945269557 /nfs/dbraw/zinc/26/95/57/945269557.db2.gz BZMHNGKYFRQWIU-DHZHZOJOSA-N -1 3 339.786 3.562 20 0 EHADHM C[C@H](C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)C1CC1 ZINC000819867539 945301738 /nfs/dbraw/zinc/30/17/38/945301738.db2.gz TWXSXJUGDHRLKQ-LBPRGKRZSA-N -1 3 349.394 3.644 20 0 EHADHM C[C@H](C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)C1CC1 ZINC000819867539 945301743 /nfs/dbraw/zinc/30/17/43/945301743.db2.gz TWXSXJUGDHRLKQ-LBPRGKRZSA-N -1 3 349.394 3.644 20 0 EHADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)C1CC1 ZINC000819877644 945306382 /nfs/dbraw/zinc/30/63/82/945306382.db2.gz ZMOJHVQJJLULTH-SNVBAGLBSA-N -1 3 345.472 3.572 20 0 EHADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)C1CC1 ZINC000819877644 945306389 /nfs/dbraw/zinc/30/63/89/945306389.db2.gz ZMOJHVQJJLULTH-SNVBAGLBSA-N -1 3 345.472 3.572 20 0 EHADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)[C@H](c1ccccc1)C(F)(F)F ZINC000736818746 944895713 /nfs/dbraw/zinc/89/57/13/944895713.db2.gz XJACOKZDGQYZGA-OAHLLOKOSA-N -1 3 347.344 3.602 20 0 EHADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)[C@H](c1ccccc1)C(F)(F)F ZINC000736818746 944895715 /nfs/dbraw/zinc/89/57/15/944895715.db2.gz XJACOKZDGQYZGA-OAHLLOKOSA-N -1 3 347.344 3.602 20 0 EHADHM CC(C)OCCCCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824314534 946651213 /nfs/dbraw/zinc/65/12/13/946651213.db2.gz DNXXNQUKXRWHGJ-UHFFFAOYSA-N -1 3 343.353 3.503 20 0 EHADHM CC(C)OCCCCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824314534 946651217 /nfs/dbraw/zinc/65/12/17/946651217.db2.gz DNXXNQUKXRWHGJ-UHFFFAOYSA-N -1 3 343.353 3.503 20 0 EHADHM CC(C)OC(=O)O[C@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000824309407 946652093 /nfs/dbraw/zinc/65/20/93/946652093.db2.gz NKBXAURBTUHMIY-QMMMGPOBSA-N -1 3 342.808 3.520 20 0 EHADHM CC(C)OC(=O)O[C@H](C)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000824309407 946652097 /nfs/dbraw/zinc/65/20/97/946652097.db2.gz NKBXAURBTUHMIY-QMMMGPOBSA-N -1 3 342.808 3.520 20 0 EHADHM C[C@H](CCCc1ccccc1)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000824402962 946685699 /nfs/dbraw/zinc/68/56/99/946685699.db2.gz ZIJYPRJXJUZOAV-GFCCVEGCSA-N -1 3 341.440 3.526 20 0 EHADHM C[C@H](CCCc1ccccc1)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000824402962 946685707 /nfs/dbraw/zinc/68/57/07/946685707.db2.gz ZIJYPRJXJUZOAV-GFCCVEGCSA-N -1 3 341.440 3.526 20 0 EHADHM CC(=O)c1cccc(-c2nnn[n-]2)c1OCC[C@H]1CCc2ccccc21 ZINC001573555475 946911850 /nfs/dbraw/zinc/91/18/50/946911850.db2.gz NFHMZCNWYJOBEK-OAHLLOKOSA-N -1 3 348.406 3.568 20 0 EHADHM CC(=O)c1cccc(-c2nn[n-]n2)c1OCC[C@H]1CCc2ccccc21 ZINC001573555475 946911858 /nfs/dbraw/zinc/91/18/58/946911858.db2.gz NFHMZCNWYJOBEK-OAHLLOKOSA-N -1 3 348.406 3.568 20 0 EHADHM C[C@H]1CCC[C@@H]1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000824928825 946996287 /nfs/dbraw/zinc/99/62/87/946996287.db2.gz VABIGZTYXXYRJA-QWRGUYRKSA-N -1 3 345.472 3.572 20 0 EHADHM C[C@H]1CCC[C@@H]1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000824928825 946996292 /nfs/dbraw/zinc/99/62/92/946996292.db2.gz VABIGZTYXXYRJA-QWRGUYRKSA-N -1 3 345.472 3.572 20 0 EHADHM Cc1c(Cl)cnc(N2CCCC[C@H]2c2ccco2)c1-c1nnn[n-]1 ZINC000826237714 947697424 /nfs/dbraw/zinc/69/74/24/947697424.db2.gz JBYMITWDJXUTCF-LBPRGKRZSA-N -1 3 344.806 3.548 20 0 EHADHM Cc1c(Cl)cnc(N2CCCC[C@H]2c2ccco2)c1-c1nn[n-]n1 ZINC000826237714 947697434 /nfs/dbraw/zinc/69/74/34/947697434.db2.gz JBYMITWDJXUTCF-LBPRGKRZSA-N -1 3 344.806 3.548 20 0 EHADHM Cc1ccnc(N[C@@H](C)c2ccccc2C(F)(F)F)c1-c1nnn[n-]1 ZINC000826312215 947904630 /nfs/dbraw/zinc/90/46/30/947904630.db2.gz YOLRCSKEVGQGFY-JTQLQIEISA-N -1 3 348.332 3.762 20 0 EHADHM Cc1ccnc(N[C@@H](C)c2ccccc2C(F)(F)F)c1-c1nn[n-]n1 ZINC000826312215 947904641 /nfs/dbraw/zinc/90/46/41/947904641.db2.gz YOLRCSKEVGQGFY-JTQLQIEISA-N -1 3 348.332 3.762 20 0 EHADHM Clc1cc(CNc2ccc(-c3nn[n-]n3)cc2)c(Cl)s1 ZINC000826350633 948097470 /nfs/dbraw/zinc/09/74/70/948097470.db2.gz FMKITZCJQSBOJC-UHFFFAOYSA-N -1 3 326.212 3.847 20 0 EHADHM Clc1cc(CSc2cccc(Cl)c2-c2nnn[n-]2)ccn1 ZINC000826350667 948097644 /nfs/dbraw/zinc/09/76/44/948097644.db2.gz GMXXALFQOMWNEM-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM Clc1cc(CSc2cccc(Cl)c2-c2nn[n-]n2)ccn1 ZINC000826350667 948097653 /nfs/dbraw/zinc/09/76/53/948097653.db2.gz GMXXALFQOMWNEM-UHFFFAOYSA-N -1 3 338.223 3.861 20 0 EHADHM Clc1cc(Cl)cc(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000826350629 948097924 /nfs/dbraw/zinc/09/79/24/948097924.db2.gz FHRPEVMOOUEEBA-UHFFFAOYSA-N -1 3 326.212 3.847 20 0 EHADHM Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)c2ccccc12 ZINC001535491311 948544850 /nfs/dbraw/zinc/54/48/50/948544850.db2.gz AJPVBYOIQRWUET-UHFFFAOYSA-N -1 3 347.353 3.720 20 0 EHADHM Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)c2ccccc12 ZINC001535491311 948544854 /nfs/dbraw/zinc/54/48/54/948544854.db2.gz AJPVBYOIQRWUET-UHFFFAOYSA-N -1 3 347.353 3.720 20 0 EHADHM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575503900 949054731 /nfs/dbraw/zinc/05/47/31/949054731.db2.gz MXTVLKZNBPSPQQ-VXGBXAGGSA-N -1 3 342.834 3.544 20 0 EHADHM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575503900 949054752 /nfs/dbraw/zinc/05/47/52/949054752.db2.gz MXTVLKZNBPSPQQ-VXGBXAGGSA-N -1 3 342.834 3.544 20 0 EHADHM O=C([O-])c1ccccc1OCCN1CCS[C@H](c2ccccc2)C1 ZINC000364249733 971540898 /nfs/dbraw/zinc/54/08/98/971540898.db2.gz LQEWXTOKTIHBQF-SFHVURJKSA-N -1 3 343.448 3.554 20 0 EHADHM C[C@@H]1CCCC[C@H]1Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001576164577 949558169 /nfs/dbraw/zinc/55/81/69/949558169.db2.gz HNNIFIRGTLYNOF-BXKDBHETSA-N -1 3 341.337 3.756 20 0 EHADHM C[C@@H]1CCCC[C@H]1Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001576164577 949558183 /nfs/dbraw/zinc/55/81/83/949558183.db2.gz HNNIFIRGTLYNOF-BXKDBHETSA-N -1 3 341.337 3.756 20 0 EHADHM C[C@@H]1CCCC[C@@H]1C(=O)Nc1cc2ccccc2cc1-c1nnn[n-]1 ZINC001576167278 949604872 /nfs/dbraw/zinc/60/48/72/949604872.db2.gz BZIZASVJEQEOGC-DOMZBBRYSA-N -1 3 335.411 3.785 20 0 EHADHM C[C@@H]1CCCC[C@@H]1C(=O)Nc1cc2ccccc2cc1-c1nn[n-]n1 ZINC001576167278 949604883 /nfs/dbraw/zinc/60/48/83/949604883.db2.gz BZIZASVJEQEOGC-DOMZBBRYSA-N -1 3 335.411 3.785 20 0 EHADHM C[C@H](c1cccc(Br)c1)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000577750678 953695260 /nfs/dbraw/zinc/69/52/60/953695260.db2.gz RFZIIONLYHASCN-GYSYKLTISA-N -1 3 326.234 3.553 20 0 EHADHM O=C([O-])[C@H]1CN(CCCc2c(F)cccc2F)Cc2ccccc21 ZINC000656190829 954299833 /nfs/dbraw/zinc/29/98/33/954299833.db2.gz SKEORTVETDTSCL-INIZCTEOSA-N -1 3 331.362 3.581 20 0 EHADHM CC1(C)CN(CCOc2ccccc2C(=O)[O-])Cc2ccccc21 ZINC000836699319 955559327 /nfs/dbraw/zinc/55/93/27/955559327.db2.gz WNAIWYIEKIKUJJ-UHFFFAOYSA-N -1 3 325.408 3.557 20 0 EHADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c(C)c1 ZINC000460826324 1032067245 /nfs/dbraw/zinc/06/72/45/1032067245.db2.gz GZGNQNHFJWSUOA-UHFFFAOYSA-N -1 3 337.416 3.950 20 0 EHADHM CC[C@H]1CN(Cc2ccc(C(=O)[O-])s2)CCN1Cc1ccccc1 ZINC000903683758 956863195 /nfs/dbraw/zinc/86/31/95/956863195.db2.gz ZQMXIZBOJPKMTC-INIZCTEOSA-N -1 3 344.480 3.543 20 0 EHADHM CC(C)(COCc1ccccc1)NCc1cc(C(=O)[O-])ccc1F ZINC000389958881 972257751 /nfs/dbraw/zinc/25/77/51/972257751.db2.gz JOBXJCHNRPQDHU-UHFFFAOYSA-N -1 3 331.387 3.609 20 0 EHADHM C[C@](NCc1ccsc1)(C(=O)[O-])c1cccc(Br)c1 ZINC000063151599 957636986 /nfs/dbraw/zinc/63/69/86/957636986.db2.gz VGLSEXYWEXCBDT-CQSZACIVSA-N -1 3 340.242 3.600 20 0 EHADHM O=C([O-])c1ccc(CN[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)s1 ZINC001574802797 957842408 /nfs/dbraw/zinc/84/24/08/957842408.db2.gz NCQYQAPBLVKTFX-ZBFHGGJFSA-N -1 3 335.400 3.595 20 0 EHADHM C[C@]1(C(=O)[O-])CCCN(Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000390987602 972311234 /nfs/dbraw/zinc/31/12/34/972311234.db2.gz 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/nfs/dbraw/zinc/31/47/41/1021314741.db2.gz VWAONVKFKLCNJO-KRWDZBQOSA-N -1 3 327.355 3.711 20 0 EHADHM COc1ccc(C(=O)N[C@H](C)[C@@H](OC)c2ccccc2Cl)c([O-])c1 ZINC000436884230 1021335491 /nfs/dbraw/zinc/33/54/91/1021335491.db2.gz ANWLJAPQQNCKGV-PIGZYNQJSA-N -1 3 349.814 3.560 20 0 EHADHM COc1ccc2nc(-c3noc(-c4cccc(OC)c4[O-])n3)ccc2c1 ZINC000436887307 1021338728 /nfs/dbraw/zinc/33/87/28/1021338728.db2.gz NOPMNUCUFBXZGI-UHFFFAOYSA-N -1 3 349.346 3.675 20 0 EHADHM Cc1ccc(-c2nc(-c3ccc(Cn4cccn4)cc3)no2)c([O-])c1 ZINC000436890693 1021343758 /nfs/dbraw/zinc/34/37/58/1021343758.db2.gz COWVFPUBTKCTTM-UHFFFAOYSA-N -1 3 332.363 3.662 20 0 EHADHM Cc1ccc(-c2nc(-c3cccc(N4CCCC4=O)c3)no2)c([O-])c1 ZINC000436903250 1021346810 /nfs/dbraw/zinc/34/68/10/1021346810.db2.gz SOPXMRYSJZMIKW-UHFFFAOYSA-N -1 3 335.363 3.544 20 0 EHADHM CCc1ccc(C(=O)Nc2ccc(F)cc2-c2cnn(C)c2)c([O-])c1 ZINC000436899888 1021362738 /nfs/dbraw/zinc/36/27/38/1021362738.db2.gz LHHSXQRXAQIHKG-UHFFFAOYSA-N -1 3 339.370 3.747 20 0 EHADHM [O-]c1ccccc1-c1nc(Cc2cc(Br)ccc2F)no1 ZINC000436899790 1021363326 /nfs/dbraw/zinc/36/33/26/1021363326.db2.gz FVLDEDDMDIYUFU-UHFFFAOYSA-N -1 3 349.159 3.935 20 0 EHADHM CC(C)c1ccc(C(=O)NCc2nc3cc(F)ccc3o2)c([O-])c1 ZINC000436901237 1021364586 /nfs/dbraw/zinc/36/45/86/1021364586.db2.gz AOWZXIKTBRVANL-UHFFFAOYSA-N -1 3 328.343 3.726 20 0 EHADHM Cc1ccc(C(=O)NC[C@@H](Cc2ccccc2)C(F)(F)F)c([O-])c1 ZINC000436941473 1021402914 /nfs/dbraw/zinc/40/29/14/1021402914.db2.gz QSRDVEAHLLELJR-CQSZACIVSA-N -1 3 337.341 3.852 20 0 EHADHM COc1cccc(-c2nc([C@H](OC)c3ccccc3Cl)no2)c1[O-] ZINC000436952229 1021417615 /nfs/dbraw/zinc/41/76/15/1021417615.db2.gz IMJRESNVTXNYLV-OAHLLOKOSA-N -1 3 346.770 3.840 20 0 EHADHM COc1ccc(N(CC(C)C)C(=O)c2cccc(OC)c2[O-])cc1 ZINC000436955887 1021421596 /nfs/dbraw/zinc/42/15/96/1021421596.db2.gz JRHYOHGPWRDZDC-UHFFFAOYSA-N -1 3 329.396 3.712 20 0 EHADHM CCc1c(C)sc2nc(-c3ccnc(OC(F)F)c3)[n-]c(=O)c21 ZINC000507676914 1021437925 /nfs/dbraw/zinc/43/79/25/1021437925.db2.gz IFUMVKYTFRHCTQ-UHFFFAOYSA-N -1 3 337.351 3.931 20 0 EHADHM O=C(NC1CC(F)(c2cccc(Cl)c2)C1)c1ccc(O)cc1[O-] ZINC000437007210 1021462758 /nfs/dbraw/zinc/46/27/58/1021462758.db2.gz ZOKAFGNODGZETL-UHFFFAOYSA-N -1 3 335.762 3.508 20 0 EHADHM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C)c(Cl)s2)C1 ZINC000473866968 1021498871 /nfs/dbraw/zinc/49/88/71/1021498871.db2.gz ROSDDTCDWMPQBX-ZJUUUORDSA-N -1 3 339.935 3.662 20 0 EHADHM CO[C@@]1(C)CCCN(c2c(C(=O)[O-])cnc3ccc(C)cc32)CC1 ZINC000519407706 1022072655 /nfs/dbraw/zinc/07/26/55/1022072655.db2.gz WLAFLUTWTYXQEY-IBGZPJMESA-N -1 3 328.412 3.637 20 0 EHADHM C[C@@H]1CC[C@@](CNCc2coc(-c3ccccc3)n2)(CC(=O)[O-])C1 ZINC000426640165 1022123710 /nfs/dbraw/zinc/12/37/10/1022123710.db2.gz QJFKGYQYJXBJSK-KUHUBIRLSA-N -1 3 328.412 3.712 20 0 EHADHM O=S(=O)([N-]c1ccc(N2CCCC2)cc1)c1cccc(Cl)c1 ZINC000007051690 1022190791 /nfs/dbraw/zinc/19/07/91/1022190791.db2.gz CXQBIRCFKVFGRW-UHFFFAOYSA-N -1 3 336.844 3.741 20 0 EHADHM CCC1(CC)[C@H](NC(=O)c2cc([O-])ccc2Cl)[C@H](C)[C@@H]1OC ZINC000517267393 1022200511 /nfs/dbraw/zinc/20/05/11/1022200511.db2.gz QAMKNWCYXBMSDD-VQISRLSMSA-N -1 3 325.836 3.615 20 0 EHADHM Cc1nnc([C@@H](C)Sc2nnc([N-]c3ccccc3F)s2)o1 ZINC000142027915 1033039100 /nfs/dbraw/zinc/03/91/00/1033039100.db2.gz ZKDVAFJEJCVGLO-SSDOTTSWSA-N -1 3 337.405 3.966 20 0 EHADHM C[C@H](C(=O)NCc1ncccc1[O-])c1ccc(Cl)c(Cl)c1 ZINC000473642828 1022307483 /nfs/dbraw/zinc/30/74/83/1022307483.db2.gz ZLIJPLFDNZKLHH-VIFPVBQESA-N -1 3 325.195 3.514 20 0 EHADHM Cc1cnc(F)c(C(=O)[N-]c2nc(-c3cccc(Cl)c3)ns2)c1 ZINC001125544615 1022374826 /nfs/dbraw/zinc/37/48/26/1022374826.db2.gz GIQZATWQQUMXRA-UHFFFAOYSA-N -1 3 348.790 3.953 20 0 EHADHM O=S(=O)([N-][C@]12C[C@H]1CCC2)c1cc(Cl)ccc1C(F)(F)F ZINC000657049415 1022378617 /nfs/dbraw/zinc/37/86/17/1022378617.db2.gz ORIBFUGTQHBHPA-PRHODGIISA-N -1 3 339.766 3.580 20 0 EHADHM Cc1nc(-c2ccc(NC(=O)N(C)CC3CCCC3)cc2)cc(=O)[n-]1 ZINC000328805888 1022492172 /nfs/dbraw/zinc/49/21/72/1022492172.db2.gz DDFQCQVIPWTTTC-UHFFFAOYSA-N -1 3 340.427 3.812 20 0 EHADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc4ccccc4c3)nc21 ZINC000438348747 1022587879 /nfs/dbraw/zinc/58/78/79/1022587879.db2.gz YSCPTONJXPVXSM-UHFFFAOYSA-N -1 3 345.358 3.755 20 0 EHADHM O=C(NCc1ncccc1[O-])Nc1ccc(OC2CCCCC2)cc1 ZINC000548382747 1022670257 /nfs/dbraw/zinc/67/02/57/1022670257.db2.gz QXFVAZPJIUYQDW-UHFFFAOYSA-N -1 3 341.411 3.820 20 0 EHADHM CC(=O)c1ccc(C(=O)N2CC[C@H](c3cc(C)cc(C)c3)C2)cc1[O-] ZINC000331346060 1022798718 /nfs/dbraw/zinc/79/87/18/1022798718.db2.gz LVKBBPOKUHRLMH-KRWDZBQOSA-N -1 3 337.419 3.841 20 0 EHADHM CCOCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)cc1 ZINC000438713992 1022944053 /nfs/dbraw/zinc/94/40/53/1022944053.db2.gz DCIVRHUJMUKTPE-UHFFFAOYSA-N -1 3 349.452 3.649 20 0 EHADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(COCC)cc2)cc1 ZINC000438724407 1022956995 /nfs/dbraw/zinc/95/69/95/1022956995.db2.gz QHSFDYQVRIAGGS-UHFFFAOYSA-N -1 3 349.452 3.813 20 0 EHADHM COc1ccc(CN[C@H](C(=O)[O-])c2cccc(C)c2C)cc1Cl ZINC000426735130 1023004540 /nfs/dbraw/zinc/00/45/40/1023004540.db2.gz DBIPYEWCMOZXDD-KRWDZBQOSA-N -1 3 333.815 3.881 20 0 EHADHM C[C@H](C(=O)[O-])[C@H](NCc1cc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000426753591 1023025962 /nfs/dbraw/zinc/02/59/62/1023025962.db2.gz JKCIHTFMVLZMCQ-LIRRHRJNSA-N -1 3 335.407 3.628 20 0 EHADHM COc1ccccc1[C@H](NCc1cccc(-c2ccncc2)c1)C(=O)[O-] ZINC000426783754 1023043245 /nfs/dbraw/zinc/04/32/45/1023043245.db2.gz NJKANBIDDODCRA-FQEVSTJZSA-N -1 3 348.402 3.673 20 0 EHADHM COc1ccc([C@H](CC(=O)[O-])NCc2cccc(C)c2C)cc1OC ZINC000426800673 1023056013 /nfs/dbraw/zinc/05/60/13/1023056013.db2.gz PSASSQJXZDFBSI-KRWDZBQOSA-N -1 3 343.423 3.626 20 0 EHADHM O=C([O-])[C@@H](NCc1ccc(OCC2CC2)cc1)c1cccc(F)c1 ZINC000426830292 1023071853 /nfs/dbraw/zinc/07/18/53/1023071853.db2.gz XBBJXUWZTHLYRT-SFHVURJKSA-N -1 3 329.371 3.530 20 0 EHADHM Cn1cccc1[C@H]1CCCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469424218 1023168698 /nfs/dbraw/zinc/16/86/98/1023168698.db2.gz KJWKSRXWQPYEQB-GOSISDBHSA-N -1 3 344.430 3.946 20 0 EHADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2cccc(C3CC3)c2)c1 ZINC000518315193 1023212715 /nfs/dbraw/zinc/21/27/15/1023212715.db2.gz ZPYGTAJXPRTDOA-LBPRGKRZSA-N -1 3 338.407 3.719 20 0 EHADHM O=C(Nc1ccc(CNc2ccccc2)cc1)c1c([O-])cccc1O ZINC000092123727 1023355486 /nfs/dbraw/zinc/35/54/86/1023355486.db2.gz VFMLOVSXOOSHJQ-UHFFFAOYSA-N -1 3 334.375 3.962 20 0 EHADHM [O-]c1ccc(F)c(CNCCc2coc(-c3ccc(F)cc3)n2)c1F ZINC000510920334 1023438239 /nfs/dbraw/zinc/43/82/39/1023438239.db2.gz LRUXGJWYLKGSKK-UHFFFAOYSA-N -1 3 348.324 3.797 20 0 EHADHM Cc1c(Cl)cc(F)c([N-]C(=O)c2cn(-c3ccccc3)nn2)c1F ZINC000342067175 1023816268 /nfs/dbraw/zinc/81/62/68/1023816268.db2.gz OYCYKMAFCYSVFV-UHFFFAOYSA-N -1 3 348.740 3.760 20 0 EHADHM CC(=O)c1ccc(C(=O)N2CCCCC[C@H]2c2ccncc2)cc1[O-] ZINC000665337004 1023966775 /nfs/dbraw/zinc/96/67/75/1023966775.db2.gz SNTAFZIDEZQUGJ-SFHVURJKSA-N -1 3 338.407 3.747 20 0 EHADHM COc1cc(C(=O)N(CCC(C)C)CCC(C)C)cc(OC)c1[O-] ZINC000513954283 1023999726 /nfs/dbraw/zinc/99/97/26/1023999726.db2.gz AZWXXHUEQSGFKG-UHFFFAOYSA-N -1 3 337.460 3.944 20 0 EHADHM O=S(=O)([N-]C1(c2ccccc2)CC1)c1cccc(Cl)c1Cl ZINC000522621239 1024122532 /nfs/dbraw/zinc/12/25/32/1024122532.db2.gz QJOUTQJGSMNGBQ-UHFFFAOYSA-N -1 3 342.247 3.961 20 0 EHADHM CCN(CC)Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1 ZINC000280823518 1024149744 /nfs/dbraw/zinc/14/97/44/1024149744.db2.gz YHPLBLHHJRZJRA-UHFFFAOYSA-N -1 3 343.452 3.914 20 0 EHADHM CC(C)c1ccc(C(=O)N2CC3(CCC3)[C@@H]2C2CCOCC2)c([O-])c1 ZINC000425129468 1024278462 /nfs/dbraw/zinc/27/84/62/1024278462.db2.gz GXRBKSWLMIYXDL-IBGZPJMESA-N -1 3 343.467 3.937 20 0 EHADHM COc1cc(C(=O)N[C@@H](C)c2ccccc2SC)cc(OC)c1[O-] ZINC000281679478 1024426813 /nfs/dbraw/zinc/42/68/13/1024426813.db2.gz FCNHLPLFDNVJNO-NSHDSACASA-N -1 3 347.436 3.622 20 0 EHADHM O=C([N-]c1cc(F)cc(F)c1Br)c1ncc(F)cc1F ZINC000190799283 1024537617 /nfs/dbraw/zinc/53/76/17/1024537617.db2.gz YMWHDOMMFJKGKJ-UHFFFAOYSA-N -1 3 349.081 3.653 20 0 EHADHM O=c1[n-]c(S[C@H]2C=CCCC2)nc2c1cnn2Cc1ccccc1 ZINC000657283684 1024559093 /nfs/dbraw/zinc/55/90/93/1024559093.db2.gz GMXQJNYUKXJUJY-AWEZNQCLSA-N -1 3 338.436 3.781 20 0 EHADHM C[C@H]1CC[C@@H](Sc2nc3c(cnn3Cc3ccccc3)c(=O)[n-]2)C1 ZINC000657285110 1024559311 /nfs/dbraw/zinc/55/93/11/1024559311.db2.gz WVQCOFWEQOUIKT-GXTWGEPZSA-N -1 3 340.452 3.861 20 0 EHADHM CCCCCc1nnc([N-]C(=O)c2ccc(C(C)=O)cc2F)s1 ZINC000346293882 1024611979 /nfs/dbraw/zinc/61/19/79/1024611979.db2.gz KQMGJLDRVHZHNO-UHFFFAOYSA-N -1 3 335.404 3.865 20 0 EHADHM CCC[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccccc1 ZINC000008520043 1024645771 /nfs/dbraw/zinc/64/57/71/1024645771.db2.gz DWHCEOFBCQAVDU-HNNXBMFYSA-N -1 3 325.380 3.785 20 0 EHADHM Cc1nc2cc(Cl)c(NC(=O)NCc3ncccc3[O-])cc2s1 ZINC000435171211 1024678642 /nfs/dbraw/zinc/67/86/42/1024678642.db2.gz NRFSTFAXLMFJFE-UHFFFAOYSA-N -1 3 348.815 3.680 20 0 EHADHM CCCc1cc(=O)[n-]c(C(=Cc2nccn2CC(F)(F)F)CC)n1 ZINC000435338803 1024808464 /nfs/dbraw/zinc/80/84/64/1024808464.db2.gz JWDYBNGKCHJXJD-FLIBITNWSA-N -1 3 340.349 3.844 20 0 EHADHM Cc1cccc(C2(C(=O)NCc3ccc([O-])c(F)c3)CCCC2)c1 ZINC000427958143 1024905018 /nfs/dbraw/zinc/90/50/18/1024905018.db2.gz IPHPVBXCZCLPHT-UHFFFAOYSA-N -1 3 327.399 3.968 20 0 EHADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@@H](C)[C@@H](C)C3)cc2)cc(=O)[n-]1 ZINC000346661221 1024997200 /nfs/dbraw/zinc/99/72/00/1024997200.db2.gz OSTBUGGHBGVTFN-OLZOCXBDSA-N -1 3 340.427 3.667 20 0 EHADHM COc1cc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)cc(OC)c1 ZINC000277460032 1025169566 /nfs/dbraw/zinc/16/95/66/1025169566.db2.gz VLRGTJMRXZOKOM-QGZVFWFLSA-N -1 3 349.814 3.663 20 0 EHADHM O=C(c1ccc(O)cc1[O-])N1CCC(CCc2ccccc2)CC1 ZINC000034774167 1025211697 /nfs/dbraw/zinc/21/16/97/1025211697.db2.gz WFFOGDQPRQFGPW-UHFFFAOYSA-N -1 3 325.408 3.583 20 0 EHADHM Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)c([O-])c1 ZINC000102608772 1025461191 /nfs/dbraw/zinc/46/11/91/1025461191.db2.gz VUGOSTNRCLTMKV-UHFFFAOYSA-N -1 3 347.374 3.600 20 0 EHADHM CC(C)CCC[C@@H](C)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442895497 1025578994 /nfs/dbraw/zinc/57/89/94/1025578994.db2.gz FFRLADOUSWGVSP-LLVKDONJSA-N -1 3 338.395 3.594 20 0 EHADHM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)Cc3ccc([O-])c(F)c3)C2)cc1 ZINC000451283536 1025756836 /nfs/dbraw/zinc/75/68/36/1025756836.db2.gz NQYNKROWNWEPJZ-RHSMWYFYSA-N -1 3 327.399 3.787 20 0 EHADHM O=C(c1c([O-])cccc1O)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000436496255 1025782038 /nfs/dbraw/zinc/78/20/38/1025782038.db2.gz PCQYFXFPIQTZBE-UHFFFAOYSA-N -1 3 349.789 3.852 20 0 EHADHM CC(C)c1ccc(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)c([O-])c1 ZINC000436508983 1025803970 /nfs/dbraw/zinc/80/39/70/1025803970.db2.gz CGNQFDJGLACSBM-UHFFFAOYSA-N -1 3 340.301 3.887 20 0 EHADHM CCc1ccc(C(=O)N2CC[C@@](F)(c3ccccc3C)C2)c([O-])c1 ZINC000436517875 1025849743 /nfs/dbraw/zinc/84/97/43/1025849743.db2.gz YZPCUPDNDVHWEZ-FQEVSTJZSA-N -1 3 327.399 3.974 20 0 EHADHM COc1ccc(N(CC(C)C)C(=O)c2cc(OC)ccc2[O-])cc1 ZINC000436541156 1025873034 /nfs/dbraw/zinc/87/30/34/1025873034.db2.gz TZFQFMHCCBCWIN-UHFFFAOYSA-N -1 3 329.396 3.712 20 0 EHADHM COc1ccc(CC2CCN(C(=O)c3ccc(C)cc3[O-])CC2)cc1 ZINC000436544666 1025874520 /nfs/dbraw/zinc/87/45/20/1025874520.db2.gz PKJXIXPFYQINHM-UHFFFAOYSA-N -1 3 339.435 3.804 20 0 EHADHM CC(C)c1ccc(C(=O)NCCc2nc3cc(F)ccc3[nH]2)c([O-])c1 ZINC000436575964 1025879102 /nfs/dbraw/zinc/87/91/02/1025879102.db2.gz PXSUSAGUSZGUCS-UHFFFAOYSA-N -1 3 341.386 3.504 20 0 EHADHM C[C@@H](O)CC(C)(C)CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436571494 1025902672 /nfs/dbraw/zinc/90/26/72/1025902672.db2.gz CZWAKHDSZVQQBI-CQSZACIVSA-N -1 3 343.423 3.711 20 0 EHADHM CC(C)c1ccc(C(=O)NCc2cc(=O)[nH]c3ccccc23)c([O-])c1 ZINC000436581888 1025922545 /nfs/dbraw/zinc/92/25/45/1025922545.db2.gz GSOMRXZKKUWOCP-UHFFFAOYSA-N -1 3 336.391 3.699 20 0 EHADHM CC(C)c1ccc(C(=O)N2CCN(c3cccs3)CC2)c([O-])c1 ZINC000436585202 1025928725 /nfs/dbraw/zinc/92/87/25/1025928725.db2.gz LKNNJDFIRXAFJC-UHFFFAOYSA-N -1 3 330.453 3.540 20 0 EHADHM COc1ccc(C(=O)N2C[C@@H](C)C[C@H]2c2cccc(F)c2)c([O-])c1 ZINC000436589071 1025930739 /nfs/dbraw/zinc/93/07/39/1025930739.db2.gz JQBNJROKIIJUHJ-SJCJKPOMSA-N -1 3 329.371 3.763 20 0 EHADHM CCc1nc(-c2ccccc2NC(=O)c2ccc(C)c(C)c2[O-])n[nH]1 ZINC000436600942 1025932852 /nfs/dbraw/zinc/93/28/52/1025932852.db2.gz AGJWTAZFIOFUGQ-UHFFFAOYSA-N -1 3 336.395 3.609 20 0 EHADHM Cc1ccc(OCCN(C)C(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC000436634833 1025965456 /nfs/dbraw/zinc/96/54/56/1025965456.db2.gz MAWSTYMHNQMFFX-UHFFFAOYSA-N -1 3 327.424 3.975 20 0 EHADHM CC(=O)c1ccc(C(=O)Nc2ccc(Nc3ccccc3)nc2)cc1[O-] ZINC000436636583 1025967215 /nfs/dbraw/zinc/96/72/15/1025967215.db2.gz RNBGPLVZZIEZIN-UHFFFAOYSA-N -1 3 347.374 3.986 20 0 EHADHM O=C(NCCCCc1ccc(Cl)s1)c1ccc(O)cc1[O-] ZINC000436652428 1025980468 /nfs/dbraw/zinc/98/04/68/1025980468.db2.gz NBTLMDIDJFAFNZ-UHFFFAOYSA-N -1 3 325.817 3.565 20 0 EHADHM O=C(N[C@@H](c1c[nH]c2ccccc21)C(F)(F)F)c1ccccc1[O-] ZINC000436655769 1025983051 /nfs/dbraw/zinc/98/30/51/1025983051.db2.gz NHPOKFNSAYEVRV-HNNXBMFYSA-N -1 3 334.297 3.907 20 0 EHADHM CC(=O)c1ccc(C(=O)NC[C@@H](C)Sc2ccccc2)cc1[O-] ZINC000436656456 1025986244 /nfs/dbraw/zinc/98/62/44/1025986244.db2.gz QERBBYXMNOSGIE-GFCCVEGCSA-N -1 3 329.421 3.505 20 0 EHADHM O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)c1c([O-])cccc1O ZINC000436645489 1025994419 /nfs/dbraw/zinc/99/44/19/1025994419.db2.gz CTESSXLOSJGTTJ-UHFFFAOYSA-N -1 3 338.241 3.510 20 0 EHADHM C[C@H](NC(=O)c1c([O-])cccc1O)c1ccc(OCC2CC2)c(F)c1 ZINC000436645450 1025994919 /nfs/dbraw/zinc/99/49/19/1025994919.db2.gz CLSODZQWENPWTQ-NSHDSACASA-N -1 3 345.370 3.517 20 0 EHADHM O=C(c1c([O-])cccc1O)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000436646131 1025997557 /nfs/dbraw/zinc/99/75/57/1025997557.db2.gz GHTJIZDQWASNCW-UHFFFAOYSA-N -1 3 327.355 3.557 20 0 EHADHM CN(Cc1csc2ccccc12)C(=O)N=c1cc2ccccn2[n-]1 ZINC000582378801 1026004090 /nfs/dbraw/zinc/00/40/90/1026004090.db2.gz GJPIDISZASWYFS-UHFFFAOYSA-N -1 3 336.420 3.635 20 0 EHADHM Cc1nccn1CCCNC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436679989 1026030370 /nfs/dbraw/zinc/03/03/70/1026030370.db2.gz HTVQEFIMCUAKSS-UHFFFAOYSA-N -1 3 343.814 3.524 20 0 EHADHM CC(C)c1ccc(C(=O)N2CCCN(c3ccccc3)CC2)c([O-])c1 ZINC000436685091 1026035970 /nfs/dbraw/zinc/03/59/70/1026035970.db2.gz AWJKGDHPWADKTD-UHFFFAOYSA-N -1 3 338.451 3.868 20 0 EHADHM CC[C@@]1(C)COCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436705896 1026068464 /nfs/dbraw/zinc/06/84/64/1026068464.db2.gz ASVKZQRIUKWXJA-NRFANRHFSA-N -1 3 339.435 3.624 20 0 EHADHM O=C(c1ccccc1[O-])N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000436716704 1026087434 /nfs/dbraw/zinc/08/74/34/1026087434.db2.gz BXBYWWPXJSWEFI-OAHLLOKOSA-N -1 3 333.840 3.976 20 0 EHADHM C[C@H](NC(=O)c1ccccc1[O-])c1nc2ccccc2n1C(F)F ZINC000436758075 1026127793 /nfs/dbraw/zinc/12/77/93/1026127793.db2.gz LCHBAHREZFBOBG-JTQLQIEISA-N -1 3 331.322 3.628 20 0 EHADHM Cc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)c([O-])c1C ZINC000436760018 1026130059 /nfs/dbraw/zinc/13/00/59/1026130059.db2.gz KKXJTLZAXUMBMS-UHFFFAOYSA-N -1 3 346.814 3.617 20 0 EHADHM COc1ccc(C(=O)N(CCc2ccccc2)CC(C)C)c([O-])c1 ZINC000436759569 1026130286 /nfs/dbraw/zinc/13/02/86/1026130286.db2.gz BYCYMHZHTWPQGQ-UHFFFAOYSA-N -1 3 327.424 3.742 20 0 EHADHM CC(=O)Nc1cccc([C@H](C)NC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000436748094 1026135423 /nfs/dbraw/zinc/13/54/23/1026135423.db2.gz PQEMEYWXVHDMPB-ZDUSSCGKSA-N -1 3 340.423 3.965 20 0 EHADHM CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000475189828 1026318153 /nfs/dbraw/zinc/31/81/53/1026318153.db2.gz IAWFVZFNSWFMLY-RHSMWYFYSA-N -1 3 339.439 3.900 20 0 EHADHM CCOC(=O)[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccccc1 ZINC000472227467 1026331866 /nfs/dbraw/zinc/33/18/66/1026331866.db2.gz ZBMJFSMTMQXVBM-LJQANCHMSA-N -1 3 349.386 3.580 20 0 EHADHM CC1(C)C[C@H](O)c2cccc(NCc3c(F)ccc([O-])c3F)c2O1 ZINC000897132417 1026396352 /nfs/dbraw/zinc/39/63/52/1026396352.db2.gz OQLWFPPRKDVQMW-HNNXBMFYSA-N -1 3 335.350 3.877 20 0 EHADHM Cc1c(C(=O)[N-]c2cc(C3(C)CCCC3)on2)oc2c1C(=O)CCC2 ZINC000582526813 1026498917 /nfs/dbraw/zinc/49/89/17/1026498917.db2.gz JAQVFSTZUXIAAK-UHFFFAOYSA-N -1 3 342.395 3.601 20 0 EHADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](c4ccccc4)C3)nc2)n1 ZINC000301161156 1026706314 /nfs/dbraw/zinc/70/63/14/1026706314.db2.gz FAESGTFNPIUZIS-KRWDZBQOSA-N -1 3 346.434 3.801 20 0 EHADHM Cc1ccc(Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000301360536 1026775650 /nfs/dbraw/zinc/77/56/50/1026775650.db2.gz PZKWVCQSTNRRSV-UHFFFAOYSA-N -1 3 334.404 3.981 20 0 EHADHM C[C@H](c1ccccc1)N(C(=O)c1cc(=O)c2ccccc2[n-]1)C1CC1 ZINC000342713977 1026813133 /nfs/dbraw/zinc/81/31/33/1026813133.db2.gz KHEAXEVIHGFLCP-CQSZACIVSA-N -1 3 332.403 3.894 20 0 EHADHM CN(Cc1cc(Br)ccc1Cl)Cc1ncccc1[O-] ZINC000582632956 1026829691 /nfs/dbraw/zinc/82/96/91/1026829691.db2.gz GMZHDAPOXFNKIK-UHFFFAOYSA-N -1 3 341.636 3.835 20 0 EHADHM Cc1nc2c(s1)[C@@H](N(C)C(=O)c1cc([O-])ccc1Cl)CCC2 ZINC000277790812 1026958388 /nfs/dbraw/zinc/95/83/88/1026958388.db2.gz UYYGDCYOTZAGRW-AWEZNQCLSA-N -1 3 336.844 3.960 20 0 EHADHM CO[C@@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@@H]1C ZINC000452879991 1027091585 /nfs/dbraw/zinc/09/15/85/1027091585.db2.gz LVWVXUBIQDZJPZ-IFXJQAMLSA-N -1 3 341.407 3.682 20 0 EHADHM CCCc1nc(C)c(C(=O)[N-]c2nnc(C(F)(F)F)s2)s1 ZINC000075938994 1027210592 /nfs/dbraw/zinc/21/05/92/1027210592.db2.gz QCWUGHDIOCWLRD-UHFFFAOYSA-N -1 3 336.364 3.527 20 0 EHADHM COc1ccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)c(C)c1 ZINC000614738259 1027229074 /nfs/dbraw/zinc/22/90/74/1027229074.db2.gz UEKIWIITSQQWEJ-UHFFFAOYSA-N -1 3 331.437 3.683 20 0 EHADHM O=c1cc(CN2CCC[C@@H](C(F)(F)F)C2)nc(-c2ccccc2)[n-]1 ZINC000459288037 1027288714 /nfs/dbraw/zinc/28/87/14/1027288714.db2.gz FLUIYGYMKBLRIO-CYBMUJFWSA-N -1 3 337.345 3.624 20 0 EHADHM COc1ccc(C(=O)Nc2cccc([O-])c2F)cc1-c1ccccn1 ZINC000128328934 1027421485 /nfs/dbraw/zinc/42/14/85/1027421485.db2.gz HWFZJLMSHJQXMY-UHFFFAOYSA-N -1 3 338.338 3.854 20 0 EHADHM Cc1ccc(F)c(C(=O)[N-]c2n[nH]c(-c3ccccc3Cl)n2)c1F ZINC000501731533 1027488630 /nfs/dbraw/zinc/48/86/30/1027488630.db2.gz VUDVBRWRLCTRGK-UHFFFAOYSA-N -1 3 348.740 3.964 20 0 EHADHM O=C([N-]c1nc2ccc(F)cn2n1)c1ccc(Oc2ccccc2)o1 ZINC000129784033 1027599974 /nfs/dbraw/zinc/59/99/74/1027599974.db2.gz WQDYOHNGEBAZAQ-UHFFFAOYSA-N -1 3 338.298 3.506 20 0 EHADHM CCOC(=O)c1ccc(NC(=O)c2ccc(F)c(SC)c2)c([O-])c1 ZINC000501866230 1027619248 /nfs/dbraw/zinc/61/92/48/1027619248.db2.gz HQTLZSGVZAYSEV-UHFFFAOYSA-N -1 3 349.383 3.682 20 0 EHADHM Cc1c(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)ccn1C(C)C ZINC000342848022 1027635118 /nfs/dbraw/zinc/63/51/18/1027635118.db2.gz QNPVEXYWSLIVCH-UHFFFAOYSA-N -1 3 344.365 3.720 20 0 EHADHM COC(=O)c1sc2ncccc2c1Nc1cc(F)c([O-])c(F)c1 ZINC001213373260 1027643910 /nfs/dbraw/zinc/64/39/10/1027643910.db2.gz ANUCKLQXTUOKDK-UHFFFAOYSA-N -1 3 336.319 3.810 20 0 EHADHM CCCOc1cccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)c1 ZINC000614790708 1027679621 /nfs/dbraw/zinc/67/96/21/1027679621.db2.gz BEJJANCKYHXNBU-UHFFFAOYSA-N -1 3 349.452 3.902 20 0 EHADHM [O-]c1ccc(CNc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)cc1F ZINC000892309373 1027883589 /nfs/dbraw/zinc/88/35/89/1027883589.db2.gz ARCJWDVDRZCPJW-RBUKOAKNSA-N -1 3 331.387 3.826 20 0 EHADHM CCc1cnc(CN(C)Cc2cc(=O)[n-]c(-c3ccccc3)n2)s1 ZINC000459369307 1028045939 /nfs/dbraw/zinc/04/59/39/1028045939.db2.gz WQXJWAIORGCTLV-UHFFFAOYSA-N -1 3 340.452 3.500 20 0 EHADHM CC(C)c1ccccc1OCC(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000523305147 1028136260 /nfs/dbraw/zinc/13/62/60/1028136260.db2.gz BLYVQKQDWSVPNK-UHFFFAOYSA-N -1 3 335.407 3.640 20 0 EHADHM Cc1noc(C(F)F)c1C(=O)[N-]c1nc(C)c(C(F)(F)F)s1 ZINC000685050242 1028246975 /nfs/dbraw/zinc/24/69/75/1028246975.db2.gz IABXUBQNNUCUCT-UHFFFAOYSA-N -1 3 341.261 3.957 20 0 EHADHM [O-]c1ccc(Nc2nc(Cl)cnc2Br)c(F)c1F ZINC001211997874 1028295659 /nfs/dbraw/zinc/29/56/59/1028295659.db2.gz QHRNWLNUADMCEE-UHFFFAOYSA-N -1 3 336.523 3.620 20 0 EHADHM COc1cc(C(=O)N2CCC[C@H]2c2cccc(C)c2)cc(OC)c1[O-] ZINC000162129292 1028466802 /nfs/dbraw/zinc/46/68/02/1028466802.db2.gz TUMQZWJNXFGCLJ-INIZCTEOSA-N -1 3 341.407 3.695 20 0 EHADHM Nc1ccc(Br)c(F)c1Nc1ccc([O-])c(F)c1F ZINC001212016432 1028743179 /nfs/dbraw/zinc/74/31/79/1028743179.db2.gz PULXRJRYIYSQKM-UHFFFAOYSA-N -1 3 333.107 3.898 20 0 EHADHM Cc1onc(OC(F)F)c1[N-]C(=O)c1cc(C(F)F)ccc1F ZINC001269193664 1028974880 /nfs/dbraw/zinc/97/48/80/1028974880.db2.gz ZNLUFXPGOHPIFS-UHFFFAOYSA-N -1 3 336.216 3.913 20 0 EHADHM CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000524333939 1029099676 /nfs/dbraw/zinc/09/96/76/1029099676.db2.gz ZIQHUASSERJDEM-GFCCVEGCSA-N -1 3 329.874 3.701 20 0 EHADHM O=C(NCc1ccc([O-])c(F)c1)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000458415660 1029113216 /nfs/dbraw/zinc/11/32/16/1029113216.db2.gz LZNJKQUVWUXDCB-CQSZACIVSA-N -1 3 348.805 3.884 20 0 EHADHM O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)c1cc(F)cc2n[n-]nc21 ZINC000503177908 1029114286 /nfs/dbraw/zinc/11/42/86/1029114286.db2.gz KLOQMYDOKFMATG-GDBMZVCRSA-N -1 3 338.386 3.553 20 0 EHADHM COCc1cc(Cl)ccc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000424576755 1029149557 /nfs/dbraw/zinc/14/95/57/1029149557.db2.gz 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c1c[nH]c(SCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000823766412 599129464 /nfs/dbraw/zinc/12/94/64/599129464.db2.gz CZQCTSLWVXBDMP-UHFFFAOYSA-N -1 3 334.408 3.549 20 0 EHADHM c1c[nH]c(SCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000823766412 599129467 /nfs/dbraw/zinc/12/94/67/599129467.db2.gz CZQCTSLWVXBDMP-UHFFFAOYSA-N -1 3 334.408 3.549 20 0 EHADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](c1ccccc1)C(C)C ZINC000822216075 599148985 /nfs/dbraw/zinc/14/89/85/599148985.db2.gz DSHQPGQLIACYQH-QGZVFWFLSA-N -1 3 335.411 3.553 20 0 EHADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](c1ccccc1)C(C)C ZINC000822216075 599148987 /nfs/dbraw/zinc/14/89/87/599148987.db2.gz DSHQPGQLIACYQH-QGZVFWFLSA-N -1 3 335.411 3.553 20 0 EHADHM Brc1ccc(CSc2ccccc2-c2nnn[n-]2)cc1 ZINC000819687988 599154559 /nfs/dbraw/zinc/15/45/59/599154559.db2.gz AKGXFTYGWJWAIU-UHFFFAOYSA-N -1 3 347.241 3.922 20 0 EHADHM Brc1ccc(CSc2ccccc2-c2nn[n-]n2)cc1 ZINC000819687988 599154561 /nfs/dbraw/zinc/15/45/61/599154561.db2.gz AKGXFTYGWJWAIU-UHFFFAOYSA-N -1 3 347.241 3.922 20 0 EHADHM CCOc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1Cl ZINC000821422509 607309212 /nfs/dbraw/zinc/30/92/12/607309212.db2.gz XTISJCAWJKUIJK-UHFFFAOYSA-N -1 3 335.820 3.592 20 0 EHADHM CSc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1Cl ZINC000821984793 607316263 /nfs/dbraw/zinc/31/62/63/607316263.db2.gz SXTWHAXXFVFFSY-UHFFFAOYSA-N -1 3 337.861 3.916 20 0 EHADHM CSc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1Cl ZINC000821984793 607316264 /nfs/dbraw/zinc/31/62/64/607316264.db2.gz SXTWHAXXFVFFSY-UHFFFAOYSA-N -1 3 337.861 3.916 20 0 EHADHM C[C@@H](Sc1ncnc2ccsc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193296 599287330 /nfs/dbraw/zinc/28/73/30/599287330.db2.gz RDHWUDUDISYWND-SECBINFHSA-N -1 3 340.437 3.725 20 0 EHADHM C[C@@H](Sc1ncnc2ccsc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193296 599287332 /nfs/dbraw/zinc/28/73/32/599287332.db2.gz RDHWUDUDISYWND-SECBINFHSA-N -1 3 340.437 3.725 20 0 EHADHM CC(C)OCc1ccc(Nc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735903059 598241939 /nfs/dbraw/zinc/24/19/39/598241939.db2.gz DILIYSKXAZUKBW-UHFFFAOYSA-N -1 3 327.363 3.674 20 0 EHADHM CC(C)OCc1ccc(Nc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735903059 598241941 /nfs/dbraw/zinc/24/19/41/598241941.db2.gz DILIYSKXAZUKBW-UHFFFAOYSA-N -1 3 327.363 3.674 20 0 EHADHM FC(F)Oc1ccc(CSCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737639660 598314131 /nfs/dbraw/zinc/31/41/31/598314131.db2.gz UZLPAFRDBJHFMX-UHFFFAOYSA-N -1 3 348.378 3.902 20 0 EHADHM FC(F)Oc1ccc(CSCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737639660 598314132 /nfs/dbraw/zinc/31/41/32/598314132.db2.gz UZLPAFRDBJHFMX-UHFFFAOYSA-N -1 3 348.378 3.902 20 0 EHADHM Fc1cc(-c2nnn[n-]2)ccc1CNCc1ccc(-c2ccccc2)o1 ZINC000737638529 598316107 /nfs/dbraw/zinc/31/61/07/598316107.db2.gz HWFCBKNQYGBTDK-UHFFFAOYSA-N -1 3 349.369 3.556 20 0 EHADHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1ccc(-c2ccccc2)o1 ZINC000737638529 598316109 /nfs/dbraw/zinc/31/61/09/598316109.db2.gz HWFCBKNQYGBTDK-UHFFFAOYSA-N -1 3 349.369 3.556 20 0 EHADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1csc2ccccc21 ZINC000736119978 598359971 /nfs/dbraw/zinc/35/99/71/598359971.db2.gz UERDDLHTRFXQEJ-NSHDSACASA-N -1 3 349.419 3.572 20 0 EHADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1csc2ccccc21 ZINC000736119978 598359973 /nfs/dbraw/zinc/35/99/73/598359973.db2.gz UERDDLHTRFXQEJ-NSHDSACASA-N -1 3 349.419 3.572 20 0 EHADHM CCCC[C@H](CC)C(=O)Nc1sc(C)c(CC)c1-c1nnn[n-]1 ZINC000736436935 598516326 /nfs/dbraw/zinc/51/63/26/598516326.db2.gz BMUJGSHNRNURNC-NSHDSACASA-N -1 3 335.477 3.954 20 0 EHADHM CCCC[C@H](CC)C(=O)Nc1sc(C)c(CC)c1-c1nn[n-]n1 ZINC000736436935 598516327 /nfs/dbraw/zinc/51/63/27/598516327.db2.gz BMUJGSHNRNURNC-NSHDSACASA-N -1 3 335.477 3.954 20 0 EHADHM CCc1c(C)sc(NC(=O)c2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC000736676390 598519208 /nfs/dbraw/zinc/51/92/08/598519208.db2.gz SZKZWPINMIRWGT-UHFFFAOYSA-N -1 3 347.831 3.705 20 0 EHADHM CCc1c(C)sc(NC(=O)c2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000736676390 598519209 /nfs/dbraw/zinc/51/92/09/598519209.db2.gz SZKZWPINMIRWGT-UHFFFAOYSA-N -1 3 347.831 3.705 20 0 EHADHM Fc1ccc2c(c1)[C@@H](Nc1ccc(-c3nnn[n-]3)c(Cl)c1)CC2 ZINC000737663863 598674166 /nfs/dbraw/zinc/67/41/66/598674166.db2.gz ACBMXVHPPCENNA-HNNXBMFYSA-N -1 3 329.766 3.759 20 0 EHADHM Fc1ccc2c(c1)[C@@H](Nc1ccc(-c3nn[n-]n3)c(Cl)c1)CC2 ZINC000737663863 598674167 /nfs/dbraw/zinc/67/41/67/598674167.db2.gz ACBMXVHPPCENNA-HNNXBMFYSA-N -1 3 329.766 3.759 20 0 EHADHM CCSc1ccc([C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736666053 598755767 /nfs/dbraw/zinc/75/57/67/598755767.db2.gz KTHPUVVNQIDUCU-NSHDSACASA-N -1 3 326.429 3.547 20 0 EHADHM CCSc1ccc([C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736666053 598755768 /nfs/dbraw/zinc/75/57/68/598755768.db2.gz KTHPUVVNQIDUCU-NSHDSACASA-N -1 3 326.429 3.547 20 0 EHADHM Clc1ccc([C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C2CCC2)cc1 ZINC000737570104 598798201 /nfs/dbraw/zinc/79/82/01/598798201.db2.gz BHARJVKUFLAGTK-INIZCTEOSA-N -1 3 340.818 3.868 20 0 EHADHM Clc1ccc([C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C2CCC2)cc1 ZINC000737570104 598798202 /nfs/dbraw/zinc/79/82/02/598798202.db2.gz BHARJVKUFLAGTK-INIZCTEOSA-N -1 3 340.818 3.868 20 0 EHADHM CC(C)[C@H](C)C(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000735701058 598803771 /nfs/dbraw/zinc/80/37/71/598803771.db2.gz JPLNYYLTDRJLTQ-HNNXBMFYSA-N -1 3 349.438 3.692 20 0 EHADHM CC(C)[C@H](C)C(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000735701058 598803781 /nfs/dbraw/zinc/80/37/81/598803781.db2.gz JPLNYYLTDRJLTQ-HNNXBMFYSA-N -1 3 349.438 3.692 20 0 EHADHM CCCCc1nc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)cs1 ZINC000736467096 599326229 /nfs/dbraw/zinc/32/62/29/599326229.db2.gz UQBHSEQFDMZMPN-UHFFFAOYSA-N -1 3 348.863 3.931 20 0 EHADHM CCCCc1nc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)cs1 ZINC000736467096 599326231 /nfs/dbraw/zinc/32/62/31/599326231.db2.gz UQBHSEQFDMZMPN-UHFFFAOYSA-N -1 3 348.863 3.931 20 0 EHADHM CCCCc1noc(CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000736466830 599326840 /nfs/dbraw/zinc/32/68/40/599326840.db2.gz OWKPZTQDSKJQRB-LLVKDONJSA-N -1 3 344.444 3.587 20 0 EHADHM CCCCc1noc(CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736466830 599326843 /nfs/dbraw/zinc/32/68/43/599326843.db2.gz OWKPZTQDSKJQRB-LLVKDONJSA-N -1 3 344.444 3.587 20 0 EHADHM C[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)[C@@H](c2ccco2)C1 ZINC000820727161 599359291 /nfs/dbraw/zinc/35/92/91/599359291.db2.gz HYANMFLDGOHHBW-SMDDNHRTSA-N -1 3 327.363 3.576 20 0 EHADHM C[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)[C@@H](c2ccco2)C1 ZINC000820727161 599359292 /nfs/dbraw/zinc/35/92/92/599359292.db2.gz HYANMFLDGOHHBW-SMDDNHRTSA-N -1 3 327.363 3.576 20 0 EHADHM Cc1ccc2c(c1)[C@@H](Nc1cc(-c3nnn[n-]3)c3ccccc3n1)CC2 ZINC000737372154 599431338 /nfs/dbraw/zinc/43/13/38/599431338.db2.gz VJRKUSRSOIEFTP-SFHVURJKSA-N -1 3 342.406 3.823 20 0 EHADHM Cc1ccc2c(c1)[C@@H](Nc1cc(-c3nn[n-]n3)c3ccccc3n1)CC2 ZINC000737372154 599431340 /nfs/dbraw/zinc/43/13/40/599431340.db2.gz VJRKUSRSOIEFTP-SFHVURJKSA-N -1 3 342.406 3.823 20 0 EHADHM Fc1ccccc1C1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737662637 599441086 /nfs/dbraw/zinc/44/10/86/599441086.db2.gz CGVYIDOSMDGAMF-UHFFFAOYSA-N -1 3 341.365 3.529 20 0 EHADHM C[C@@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1cccc(OC(F)F)c1 ZINC000820455686 599475907 /nfs/dbraw/zinc/47/59/07/599475907.db2.gz LMRQWAPBIVQMLV-SECBINFHSA-N -1 3 349.316 3.780 20 0 EHADHM C[C@@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1cccc(OC(F)F)c1 ZINC000820455686 599475909 /nfs/dbraw/zinc/47/59/09/599475909.db2.gz LMRQWAPBIVQMLV-SECBINFHSA-N -1 3 349.316 3.780 20 0 EHADHM Fc1ccc(NCc2ccccc2C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000822783126 599504295 /nfs/dbraw/zinc/50/42/95/599504295.db2.gz WFJMALOEKWSSOM-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Fc1ccc(NCc2ccccc2C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000822783126 599504298 /nfs/dbraw/zinc/50/42/98/599504298.db2.gz WFJMALOEKWSSOM-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM CC(C)(C)C[C@@H]1CCCN1c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000819906635 599505827 /nfs/dbraw/zinc/50/58/27/599505827.db2.gz HZYHOTKYCTVNTL-ZDUSSCGKSA-N -1 3 336.443 3.820 20 0 EHADHM CC(C)(C)C[C@@H]1CCCN1c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000819906635 599505829 /nfs/dbraw/zinc/50/58/29/599505829.db2.gz HZYHOTKYCTVNTL-ZDUSSCGKSA-N -1 3 336.443 3.820 20 0 EHADHM Cc1nccc(Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000822471479 599525925 /nfs/dbraw/zinc/52/59/25/599525925.db2.gz DHMNTSMCYSDVGC-UHFFFAOYSA-N -1 3 345.366 3.501 20 0 EHADHM Cc1cc(Nc2ncc(-c3nnn[n-]3)cc2Cl)ccc1OC(C)C ZINC000822210763 599588639 /nfs/dbraw/zinc/58/86/39/599588639.db2.gz PWKFWGNLTQISQX-UHFFFAOYSA-N -1 3 344.806 3.754 20 0 EHADHM Cc1cc(Nc2ncc(-c3nn[n-]n3)cc2Cl)ccc1OC(C)C ZINC000822210763 599588641 /nfs/dbraw/zinc/58/86/41/599588641.db2.gz PWKFWGNLTQISQX-UHFFFAOYSA-N -1 3 344.806 3.754 20 0 EHADHM CC=C(C=CC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)CC ZINC000820833305 607402541 /nfs/dbraw/zinc/40/25/41/607402541.db2.gz VXBYNUJFYOWNIA-XQCUBCESSA-N -1 3 341.415 3.505 20 0 EHADHM CC=C(C=CC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)CC ZINC000820833305 607402542 /nfs/dbraw/zinc/40/25/42/607402542.db2.gz VXBYNUJFYOWNIA-XQCUBCESSA-N -1 3 341.415 3.505 20 0 EHADHM COc1ccc(CN(C)[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1F ZINC000737993925 600397929 /nfs/dbraw/zinc/39/79/29/600397929.db2.gz CAHFAGJSSMBRBB-INIZCTEOSA-N -1 3 337.778 3.745 20 0 EHADHM O=C([O-])c1cc(F)ccc1CN1CCS[C@@H](c2ccccc2)C1 ZINC000740079282 600412589 /nfs/dbraw/zinc/41/25/89/600412589.db2.gz NTZCRVWCPJWXTK-QGZVFWFLSA-N -1 3 331.412 3.814 20 0 EHADHM CC(=O)Nc1cccc([C@@H](C)N[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000736168845 600420342 /nfs/dbraw/zinc/42/03/42/600420342.db2.gz VTFKNUQUMMITLF-PIGZYNQJSA-N -1 3 346.814 3.775 20 0 EHADHM O=C([O-])[C@H](NCc1cccc(Br)c1)c1ccc(F)cc1 ZINC000739500777 600430681 /nfs/dbraw/zinc/43/06/81/600430681.db2.gz SPRAEWWHSXYIFU-CQSZACIVSA-N -1 3 338.176 3.504 20 0 EHADHM O=C([O-])[C@@H](NCc1cccc(OC2CCCC2)c1)c1ccccc1 ZINC000262717222 600431544 /nfs/dbraw/zinc/43/15/44/600431544.db2.gz SNJLDEZMUDPCJP-IBGZPJMESA-N -1 3 325.408 3.924 20 0 EHADHM O=C([O-])c1ccc(CN2CCC(Oc3ccc(F)cc3)CC2)cc1 ZINC000263560464 600629815 /nfs/dbraw/zinc/62/98/15/600629815.db2.gz BLYNPZVTZANIHJ-UHFFFAOYSA-N -1 3 329.371 3.567 20 0 EHADHM C[C@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1c(F)cccc1Cl ZINC000820425684 607484807 /nfs/dbraw/zinc/48/48/07/607484807.db2.gz AKYIPMSBQBNODU-VIFPVBQESA-N -1 3 349.772 3.649 20 0 EHADHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1c(F)cccc1Cl ZINC000820425684 607484810 /nfs/dbraw/zinc/48/48/10/607484810.db2.gz AKYIPMSBQBNODU-VIFPVBQESA-N -1 3 349.772 3.649 20 0 EHADHM COCCN(Cc1ccc(C(=O)[O-])c(F)c1)[C@@H](C)c1ccccc1 ZINC000831735365 601623427 /nfs/dbraw/zinc/62/34/27/601623427.db2.gz QVDIMPDRBCDSRE-AWEZNQCLSA-N -1 3 331.387 3.734 20 0 EHADHM Cc1c(NC(=O)CC[C@@H](C)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000826241098 607541058 /nfs/dbraw/zinc/54/10/58/607541058.db2.gz QYQYCJQFWKYQHG-CYBMUJFWSA-N -1 3 335.411 3.698 20 0 EHADHM Cc1c(NC(=O)CC[C@@H](C)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000826241098 607541060 /nfs/dbraw/zinc/54/10/60/607541060.db2.gz QYQYCJQFWKYQHG-CYBMUJFWSA-N -1 3 335.411 3.698 20 0 EHADHM COc1ccc(CS[C@H](C)c2cccs2)cc1-c1nnn[n-]1 ZINC000826207593 607547728 /nfs/dbraw/zinc/54/77/28/607547728.db2.gz UOYXJQIFKKXYMB-SNVBAGLBSA-N -1 3 332.454 3.931 20 0 EHADHM COc1ccc(CS[C@H](C)c2cccs2)cc1-c1nn[n-]n1 ZINC000826207593 607547729 /nfs/dbraw/zinc/54/77/29/607547729.db2.gz UOYXJQIFKKXYMB-SNVBAGLBSA-N -1 3 332.454 3.931 20 0 EHADHM CN(CC1CCN(Cc2cc(Cl)cc3cccnc32)CC1)C(=O)[O-] ZINC000739664340 602382997 /nfs/dbraw/zinc/38/29/97/602382997.db2.gz DXOKFCHQHQINIQ-UHFFFAOYSA-N -1 3 347.846 3.710 20 0 EHADHM C[C@H](c1nc2ccccc2s1)N(C)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739064750 602701578 /nfs/dbraw/zinc/70/15/78/602701578.db2.gz RTYCXVCCHZTADM-CHWSQXEVSA-N -1 3 333.457 3.679 20 0 EHADHM COc1ccc([C@@H](NCc2ccc(NC(=O)[O-])nc2)C(C)C)cc1 ZINC000829311069 603533247 /nfs/dbraw/zinc/53/32/47/603533247.db2.gz MBMYZHVAEFWMNN-KRWDZBQOSA-N -1 3 329.400 3.667 20 0 EHADHM C[C@H]1CCc2c(F)cccc2[C@@H]1NCc1ccc(NC(=O)[O-])nc1 ZINC000825955452 603559377 /nfs/dbraw/zinc/55/93/77/603559377.db2.gz IEXHEJSHUQMGBZ-APPDUMDISA-N -1 3 329.375 3.724 20 0 EHADHM CN(C)Cc1ccc(-c2noc(-c3ccc(NC(=O)[O-])cc3)n2)cc1 ZINC000828042923 603637335 /nfs/dbraw/zinc/63/73/35/603637335.db2.gz VKJPPTMVOYLYDF-UHFFFAOYSA-N -1 3 338.367 3.555 20 0 EHADHM Fc1ccc(NCc2cccc(-c3ccccn3)c2)c(-c2nnn[n-]2)c1 ZINC000826375536 607679151 /nfs/dbraw/zinc/67/91/51/607679151.db2.gz RKGNUIPJEPECNW-UHFFFAOYSA-N -1 3 346.369 3.680 20 0 EHADHM Fc1ccc(NCc2cccc(-c3ccccn3)c2)c(-c2nn[n-]n2)c1 ZINC000826375536 607679152 /nfs/dbraw/zinc/67/91/52/607679152.db2.gz RKGNUIPJEPECNW-UHFFFAOYSA-N -1 3 346.369 3.680 20 0 EHADHM C[C@@H](N[C@H]1CCCN(C(=O)[O-])C1)c1cc(Cl)ccc1OC(F)F ZINC000827716985 604290915 /nfs/dbraw/zinc/29/09/15/604290915.db2.gz CMWZOXISDMMLIM-KOLCDFICSA-N -1 3 348.777 3.734 20 0 EHADHM C[C@H](NCC[C@H]1CCCN(C(=O)[O-])C1)c1nc2ccccc2s1 ZINC000825490650 604299423 /nfs/dbraw/zinc/29/94/23/604299423.db2.gz NQYGLUOAYWROPC-QWHCGFSZSA-N -1 3 333.457 3.727 20 0 EHADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)[C@@H](c1ccccc1)C(C)C ZINC000826243882 607689720 /nfs/dbraw/zinc/68/97/20/607689720.db2.gz ZJWORHFOZWOXAI-GOSISDBHSA-N -1 3 349.438 3.644 20 0 EHADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)[C@@H](c1ccccc1)C(C)C ZINC000826243882 607689722 /nfs/dbraw/zinc/68/97/22/607689722.db2.gz ZJWORHFOZWOXAI-GOSISDBHSA-N -1 3 349.438 3.644 20 0 EHADHM COc1ccc2oc(CN(C)Cc3ccc(C(=O)[O-])cc3)cc2c1 ZINC000833735169 604576539 /nfs/dbraw/zinc/57/65/39/604576539.db2.gz TYMFDKIOMFDPKH-UHFFFAOYSA-N -1 3 325.364 3.772 20 0 EHADHM C[C@@H](Oc1ccc(CN2CCc3ccccc3[C@H]2C)cc1)C(=O)[O-] ZINC000833537811 604633394 /nfs/dbraw/zinc/63/33/94/604633394.db2.gz AUHBRCVDFUXION-HUUCEWRRSA-N -1 3 325.408 3.658 20 0 EHADHM O=C([O-])[C@@H]1CC12CCN(Cc1ccc(SC(F)(F)F)cc1)CC2 ZINC000405373637 604649498 /nfs/dbraw/zinc/64/94/98/604649498.db2.gz RMYFQYIQFJZKJF-ZDUSSCGKSA-N -1 3 345.386 3.985 20 0 EHADHM CC(C)c1ccc([C@H](CN[C@@H](C)c2cncs2)NC(=O)[O-])cc1 ZINC000824465050 604971271 /nfs/dbraw/zinc/97/12/71/604971271.db2.gz YHQKHHQBSCTSLU-WFASDCNBSA-N -1 3 333.457 3.926 20 0 EHADHM C[C@@]1(NCc2nc(-c3cccc(Cl)c3)no2)CCCC[C@@H]1C(=O)[O-] ZINC000833570313 605061649 /nfs/dbraw/zinc/06/16/49/605061649.db2.gz QUVKBLPCLSOTHG-CXAGYDPISA-N -1 3 349.818 3.513 20 0 EHADHM Cc1ccccc1-c1cnc(CN[C@]2(C)CCCC[C@H]2C(=O)[O-])o1 ZINC000833753019 605070903 /nfs/dbraw/zinc/07/09/03/605070903.db2.gz JVIFJCJDQZDCMC-HNAYVOBHSA-N -1 3 328.412 3.773 20 0 EHADHM C[C@@H](Oc1ccc(CNC2(c3ccc(Cl)cc3)CC2)cc1)C(=O)[O-] ZINC000833541722 605093918 /nfs/dbraw/zinc/09/39/18/605093918.db2.gz SLPNAUCHGCTJAI-CYBMUJFWSA-N -1 3 345.826 3.971 20 0 EHADHM COc1cccc([C@@H](C)NCc2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000829543325 605119642 /nfs/dbraw/zinc/11/96/42/605119642.db2.gz IFUGVJOHKFDFNZ-KGLIPLIRSA-N -1 3 328.412 3.875 20 0 EHADHM C[C@@H](C1CC1)N(Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)C1CC1 ZINC000571290369 605203380 /nfs/dbraw/zinc/20/33/80/605203380.db2.gz DLTZPFNAHRCFRF-LBPRGKRZSA-N -1 3 326.396 3.803 20 0 EHADHM CC(C)C[C@H](C)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000824229073 607763151 /nfs/dbraw/zinc/76/31/51/607763151.db2.gz NHRUGBRNDCWOMS-AWEZNQCLSA-N -1 3 349.438 3.698 20 0 EHADHM CC(C)C[C@H](C)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000824229073 607763152 /nfs/dbraw/zinc/76/31/52/607763152.db2.gz NHRUGBRNDCWOMS-AWEZNQCLSA-N -1 3 349.438 3.698 20 0 EHADHM CN(C)c1ccccc1CN[C@H]1CCc2cc(NC(=O)[O-])ccc21 ZINC000833871658 605638714 /nfs/dbraw/zinc/63/87/14/605638714.db2.gz WKMTXNGBECNPIV-KRWDZBQOSA-N -1 3 325.412 3.620 20 0 EHADHM COc1ccc(CCCN(C)Cc2cc(C(=O)[O-])ccc2F)cc1 ZINC000833731844 605830542 /nfs/dbraw/zinc/83/05/42/605830542.db2.gz NXDROFZNHKGLPI-UHFFFAOYSA-N -1 3 331.387 3.597 20 0 EHADHM Fc1ccc(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)cc1 ZINC000822772168 606175164 /nfs/dbraw/zinc/17/51/64/606175164.db2.gz RSJCLLMEHVAFGB-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM Fc1ccc(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)cc1 ZINC000822772168 606175166 /nfs/dbraw/zinc/17/51/66/606175166.db2.gz RSJCLLMEHVAFGB-UHFFFAOYSA-N -1 3 337.280 3.637 20 0 EHADHM C/C=C(\C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820827563 606287252 /nfs/dbraw/zinc/28/72/52/606287252.db2.gz UAPXQJVTMWWAEH-KGVSQERTSA-N -1 3 335.367 3.564 20 0 EHADHM C/C=C(\C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820827563 606287255 /nfs/dbraw/zinc/28/72/55/606287255.db2.gz UAPXQJVTMWWAEH-KGVSQERTSA-N -1 3 335.367 3.564 20 0 EHADHM c1ccc([C@H]2CCCN2c2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000823774092 606448092 /nfs/dbraw/zinc/44/80/92/606448092.db2.gz ZEUAPRFYANTSAM-GOSISDBHSA-N -1 3 342.406 3.756 20 0 EHADHM c1ccc([C@H]2CCCN2c2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000823774092 606448094 /nfs/dbraw/zinc/44/80/94/606448094.db2.gz ZEUAPRFYANTSAM-GOSISDBHSA-N -1 3 342.406 3.756 20 0 EHADHM Clc1ccc(N2CCC[C@H]2c2ccsc2)c(-c2nnn[n-]2)c1 ZINC000822579194 606455646 /nfs/dbraw/zinc/45/56/46/606455646.db2.gz XECAXQZVQQBYAU-ZDUSSCGKSA-N -1 3 331.832 3.923 20 0 EHADHM Clc1ccc(N2CCC[C@H]2c2ccsc2)c(-c2nn[n-]n2)c1 ZINC000822579194 606455647 /nfs/dbraw/zinc/45/56/47/606455647.db2.gz XECAXQZVQQBYAU-ZDUSSCGKSA-N -1 3 331.832 3.923 20 0 EHADHM Fc1cc(NCc2cccc(-c3nnn[n-]3)c2)ccc1OC1CCC1 ZINC000822753085 606465435 /nfs/dbraw/zinc/46/54/35/606465435.db2.gz COISHUSPJPZDTF-UHFFFAOYSA-N -1 3 339.374 3.549 20 0 EHADHM Fc1cc(NCc2cccc(-c3nn[n-]n3)c2)ccc1OC1CCC1 ZINC000822753085 606465437 /nfs/dbraw/zinc/46/54/37/606465437.db2.gz COISHUSPJPZDTF-UHFFFAOYSA-N -1 3 339.374 3.549 20 0 EHADHM CCCCCC(C)(C)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821042931 606602036 /nfs/dbraw/zinc/60/20/36/606602036.db2.gz JDQLQBSMWHWVEK-ZDUSSCGKSA-N -1 3 329.448 3.650 20 0 EHADHM CCCCCC(C)(C)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821042931 606602038 /nfs/dbraw/zinc/60/20/38/606602038.db2.gz JDQLQBSMWHWVEK-ZDUSSCGKSA-N -1 3 329.448 3.650 20 0 EHADHM CC(C)(C)[C@H](Nc1ncccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000819899074 606643441 /nfs/dbraw/zinc/64/34/41/606643441.db2.gz NAFBSZYDTUGYTR-CQSZACIVSA-N -1 3 326.379 3.600 20 0 EHADHM CC(C)(C)[C@H](Nc1ncccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000819899074 606643442 /nfs/dbraw/zinc/64/34/42/606643442.db2.gz NAFBSZYDTUGYTR-CQSZACIVSA-N -1 3 326.379 3.600 20 0 EHADHM CC=C(C=CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C)CC ZINC000820832593 607000629 /nfs/dbraw/zinc/00/06/29/607000629.db2.gz MDTZYAUCULBZCG-XQCUBCESSA-N -1 3 341.415 3.505 20 0 EHADHM CC=C(C=CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C)CC ZINC000820832593 607000631 /nfs/dbraw/zinc/00/06/31/607000631.db2.gz MDTZYAUCULBZCG-XQCUBCESSA-N -1 3 341.415 3.505 20 0 EHADHM COC(C)(C)C[C@H](C)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000821672437 607173847 /nfs/dbraw/zinc/17/38/47/607173847.db2.gz KNGWBGXRUDYEEL-VIFPVBQESA-N -1 3 343.353 3.501 20 0 EHADHM COC(C)(C)C[C@H](C)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821672437 607173848 /nfs/dbraw/zinc/17/38/48/607173848.db2.gz KNGWBGXRUDYEEL-VIFPVBQESA-N -1 3 343.353 3.501 20 0 EHADHM Cc1ccc(C)c(NC(=S)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000822231746 607252339 /nfs/dbraw/zinc/25/23/39/607252339.db2.gz GEZGITGPPICFAT-UHFFFAOYSA-N -1 3 338.440 3.601 20 0 EHADHM Cc1ccc(C)c(NC(=S)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000822231746 607252340 /nfs/dbraw/zinc/25/23/40/607252340.db2.gz GEZGITGPPICFAT-UHFFFAOYSA-N -1 3 338.440 3.601 20 0 EHADHM CC(C)[C@H]1CC[C@H](C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824505695 607793841 /nfs/dbraw/zinc/79/38/41/607793841.db2.gz HHVPVNBUORLKFV-CKEIUWERSA-N -1 3 341.459 3.506 20 0 EHADHM CC(C)[C@H]1CC[C@H](C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824505695 607793842 /nfs/dbraw/zinc/79/38/42/607793842.db2.gz HHVPVNBUORLKFV-CKEIUWERSA-N -1 3 341.459 3.506 20 0 EHADHM CC1(C)C[C@@H]1C(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC000824795781 607793939 /nfs/dbraw/zinc/79/39/39/607793939.db2.gz DNGNZNMJXPQMFL-GFCCVEGCSA-N -1 3 339.424 3.580 20 0 EHADHM CC1(C)C[C@@H]1C(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000824795781 607793940 /nfs/dbraw/zinc/79/39/40/607793940.db2.gz DNGNZNMJXPQMFL-GFCCVEGCSA-N -1 3 339.424 3.580 20 0 EHADHM CN(C(=O)CCC(C)(C)c1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000825817334 607830624 /nfs/dbraw/zinc/83/06/24/607830624.db2.gz HTOLPMJIWCQDGB-UHFFFAOYSA-N -1 3 349.438 3.588 20 0 EHADHM CN(C(=O)CCC(C)(C)c1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000825817334 607830625 /nfs/dbraw/zinc/83/06/25/607830625.db2.gz HTOLPMJIWCQDGB-UHFFFAOYSA-N -1 3 349.438 3.588 20 0 EHADHM Fc1ccc(-c2nnn[n-]2)c(CSCc2csc(C3CC3)n2)c1 ZINC000826373180 607984914 /nfs/dbraw/zinc/98/49/14/607984914.db2.gz CIYVPDPJTHDPNC-UHFFFAOYSA-N -1 3 347.444 3.773 20 0 EHADHM Fc1ccc(-c2nn[n-]n2)c(CSCc2csc(C3CC3)n2)c1 ZINC000826373180 607984915 /nfs/dbraw/zinc/98/49/15/607984915.db2.gz CIYVPDPJTHDPNC-UHFFFAOYSA-N -1 3 347.444 3.773 20 0 EHADHM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000823944032 607999838 /nfs/dbraw/zinc/99/98/38/607999838.db2.gz XCYUKCAWULQQLC-CMDGGOBGSA-N -1 3 345.815 3.624 20 0 EHADHM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000823944032 607999839 /nfs/dbraw/zinc/99/98/39/607999839.db2.gz XCYUKCAWULQQLC-CMDGGOBGSA-N -1 3 345.815 3.624 20 0 EHADHM CC(C)c1cc(Oc2ccc(-c3nnn[n-]3)cc2F)nc(C(C)C)n1 ZINC000824347627 608051250 /nfs/dbraw/zinc/05/12/50/608051250.db2.gz HWLXMPLKIWLNPE-UHFFFAOYSA-N -1 3 342.378 3.835 20 0 EHADHM CC(C)c1cc(Oc2ccc(-c3nn[n-]n3)cc2F)nc(C(C)C)n1 ZINC000824347627 608051251 /nfs/dbraw/zinc/05/12/51/608051251.db2.gz HWLXMPLKIWLNPE-UHFFFAOYSA-N -1 3 342.378 3.835 20 0 EHADHM CCC[C@@H](C(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000825224926 608152459 /nfs/dbraw/zinc/15/24/59/608152459.db2.gz HBTGSYYUEQEMMU-RHSMWYFYSA-N -1 3 343.475 3.849 20 0 EHADHM CCC[C@@H](C(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000825224926 608152461 /nfs/dbraw/zinc/15/24/61/608152461.db2.gz HBTGSYYUEQEMMU-RHSMWYFYSA-N -1 3 343.475 3.849 20 0 EHADHM c1ccc2c(c1)CC[C@@H]2Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826523590 608222156 /nfs/dbraw/zinc/22/21/56/608222156.db2.gz QXCIYOKNDVHCDF-KRWDZBQOSA-N -1 3 328.379 3.514 20 0 EHADHM c1ccc2c(c1)CC[C@@H]2Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826523590 608222158 /nfs/dbraw/zinc/22/21/58/608222158.db2.gz QXCIYOKNDVHCDF-KRWDZBQOSA-N -1 3 328.379 3.514 20 0 EHADHM c1ccc([C@H](Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)C2CC2)cc1 ZINC000826520415 608222485 /nfs/dbraw/zinc/22/24/85/608222485.db2.gz IQMLMKFMASEIHX-IBGZPJMESA-N -1 3 342.406 3.978 20 0 EHADHM c1ccc([C@H](Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)C2CC2)cc1 ZINC000826520415 608222487 /nfs/dbraw/zinc/22/24/87/608222487.db2.gz IQMLMKFMASEIHX-IBGZPJMESA-N -1 3 342.406 3.978 20 0 EHADHM CC/C=C(\C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000825219857 608327757 /nfs/dbraw/zinc/32/77/57/608327757.db2.gz NFERQYCPHLMBSC-MKMNVTDBSA-N -1 3 347.422 3.506 20 0 EHADHM CC/C=C(\C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000825219857 608327759 /nfs/dbraw/zinc/32/77/59/608327759.db2.gz NFERQYCPHLMBSC-MKMNVTDBSA-N -1 3 347.422 3.506 20 0 EHADHM CCN(C(=O)C1CCCCCC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367023 608346449 /nfs/dbraw/zinc/34/64/49/608346449.db2.gz IEXMAQKCTPWWNF-UHFFFAOYSA-N -1 3 347.850 3.843 20 0 EHADHM CCN(C(=O)C1CCCCCC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367023 608346450 /nfs/dbraw/zinc/34/64/50/608346450.db2.gz IEXMAQKCTPWWNF-UHFFFAOYSA-N -1 3 347.850 3.843 20 0 EHADHM CC1(C)CN(Cc2ccc(-c3nnn[n-]3)s2)[C@@H]1c1ccccc1 ZINC000824808503 608629752 /nfs/dbraw/zinc/62/97/52/608629752.db2.gz SWWVBHRGXHLUCA-OAHLLOKOSA-N -1 3 325.441 3.511 20 0 EHADHM C[C@H](Nc1ccc(OC(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824658356 609162102 /nfs/dbraw/zinc/16/21/02/609162102.db2.gz WJFQMJBTSCFUAI-JTQLQIEISA-N -1 3 331.326 3.641 20 0 EHADHM C[C@H](Nc1ccc(OC(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824658356 609162103 /nfs/dbraw/zinc/16/21/03/609162103.db2.gz WJFQMJBTSCFUAI-JTQLQIEISA-N -1 3 331.326 3.641 20 0 EHADHM C[C@@H]1CCN(c2c(F)cc(-c3nnn[n-]3)cc2F)[C@H](c2ccco2)C1 ZINC000824961684 609164696 /nfs/dbraw/zinc/16/46/96/609164696.db2.gz GHGGAJLADFYZMS-YGRLFVJLSA-N -1 3 345.353 3.716 20 0 EHADHM C[C@@H]1CCN(c2c(F)cc(-c3nn[n-]n3)cc2F)[C@H](c2ccco2)C1 ZINC000824961684 609164698 /nfs/dbraw/zinc/16/46/98/609164698.db2.gz GHGGAJLADFYZMS-YGRLFVJLSA-N -1 3 345.353 3.716 20 0 EHADHM COc1ccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1F ZINC000826210258 609165223 /nfs/dbraw/zinc/16/52/23/609165223.db2.gz KKNSHBKCLDGLGH-MRXNPFEDSA-N -1 3 339.374 3.504 20 0 EHADHM COc1ccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1F ZINC000826210258 609165225 /nfs/dbraw/zinc/16/52/25/609165225.db2.gz KKNSHBKCLDGLGH-MRXNPFEDSA-N -1 3 339.374 3.504 20 0 EHADHM Cc1cc(Cl)c(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1C ZINC000826267626 609283280 /nfs/dbraw/zinc/28/32/80/609283280.db2.gz NNLXELUTXSHYPH-UHFFFAOYSA-N -1 3 341.802 3.698 20 0 EHADHM Cc1cc(Cl)c(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1C ZINC000826267626 609283281 /nfs/dbraw/zinc/28/32/81/609283281.db2.gz NNLXELUTXSHYPH-UHFFFAOYSA-N -1 3 341.802 3.698 20 0 EHADHM CCOc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000825643462 609346223 /nfs/dbraw/zinc/34/62/23/609346223.db2.gz OLSYVEQKTWSEPN-GFCCVEGCSA-N -1 3 341.390 3.886 20 0 EHADHM CCOc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000825643462 609346225 /nfs/dbraw/zinc/34/62/25/609346225.db2.gz OLSYVEQKTWSEPN-GFCCVEGCSA-N -1 3 341.390 3.886 20 0 EHADHM CC(=O)CCCCSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823967182 609449798 /nfs/dbraw/zinc/44/97/98/609449798.db2.gz JWBHDCDQXUARQO-UHFFFAOYSA-N -1 3 344.362 3.737 20 0 EHADHM CC(=O)CCCCSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823967182 609449800 /nfs/dbraw/zinc/44/98/00/609449800.db2.gz JWBHDCDQXUARQO-UHFFFAOYSA-N -1 3 344.362 3.737 20 0 EHADHM CC(C)COc1ccccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000824272464 609474601 /nfs/dbraw/zinc/47/46/01/609474601.db2.gz YAXRXHQNODCKRB-UHFFFAOYSA-N -1 3 341.390 3.653 20 0 EHADHM CC(C)COc1ccccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000824272464 609474603 /nfs/dbraw/zinc/47/46/03/609474603.db2.gz YAXRXHQNODCKRB-UHFFFAOYSA-N -1 3 341.390 3.653 20 0 EHADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000825632009 609476346 /nfs/dbraw/zinc/47/63/46/609476346.db2.gz JNBXCQWFBNZEQB-RISCZKNCSA-N -1 3 339.399 3.594 20 0 EHADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000825632009 609476348 /nfs/dbraw/zinc/47/63/48/609476348.db2.gz JNBXCQWFBNZEQB-RISCZKNCSA-N -1 3 339.399 3.594 20 0 EHADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1cccc2[nH]ccc21 ZINC000824324157 609477975 /nfs/dbraw/zinc/47/79/75/609477975.db2.gz IPMVUOIDSGVYEY-UHFFFAOYSA-N -1 3 348.410 3.747 20 0 EHADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1cccc2[nH]ccc21 ZINC000824324157 609477976 /nfs/dbraw/zinc/47/79/76/609477976.db2.gz IPMVUOIDSGVYEY-UHFFFAOYSA-N -1 3 348.410 3.747 20 0 EHADHM CC[C@H](C)CCCCC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825061929 609504747 /nfs/dbraw/zinc/50/47/47/609504747.db2.gz ZRRNCZKYXWFBQF-KBPBESRZSA-N -1 3 329.448 3.650 20 0 EHADHM CC[C@H](C)CCCCC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825061929 609504748 /nfs/dbraw/zinc/50/47/48/609504748.db2.gz ZRRNCZKYXWFBQF-KBPBESRZSA-N -1 3 329.448 3.650 20 0 EHADHM C[C@@H](NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824864348 609520878 /nfs/dbraw/zinc/52/08/78/609520878.db2.gz AMAOYOIJMBIUJN-XJKCOSOUSA-N -1 3 341.459 3.506 20 0 EHADHM C[C@@H](NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824864348 609520881 /nfs/dbraw/zinc/52/08/81/609520881.db2.gz AMAOYOIJMBIUJN-XJKCOSOUSA-N -1 3 341.459 3.506 20 0 EHADHM CCC[C@H](Nc1ncc(Cl)c(C)c1-c1nnn[n-]1)c1ccccn1 ZINC000825241859 609548863 /nfs/dbraw/zinc/54/88/63/609548863.db2.gz BUVLOIZMECTMAV-ZDUSSCGKSA-N -1 3 343.822 3.572 20 0 EHADHM CCC[C@H](Nc1ncc(Cl)c(C)c1-c1nn[n-]n1)c1ccccn1 ZINC000825241859 609548864 /nfs/dbraw/zinc/54/88/64/609548864.db2.gz BUVLOIZMECTMAV-ZDUSSCGKSA-N -1 3 343.822 3.572 20 0 EHADHM Cc1ccc2c(c1)[C@@H](Nc1ncc(-c3nnn[n-]3)cc1Cl)[C@H](C)C2 ZINC000826294649 609570173 /nfs/dbraw/zinc/57/01/73/609570173.db2.gz YGQFZVDSFJJEAM-BMIGLBTASA-N -1 3 340.818 3.569 20 0 EHADHM Cc1ccc2c(c1)[C@@H](Nc1ncc(-c3nn[n-]n3)cc1Cl)[C@H](C)C2 ZINC000826294649 609570175 /nfs/dbraw/zinc/57/01/75/609570175.db2.gz YGQFZVDSFJJEAM-BMIGLBTASA-N -1 3 340.818 3.569 20 0 EHADHM